2024-03-29T10:40:04Zhttp://dugi-doc.udg.edu/dspace-oai/requestoai:dugi-doc.udg.edu:10256/26712016-09-09T11:05:18Zcom_10256_1523com_10256_2943col_10256_1546col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Luo, Ningsu
Villamizar Mejía, Rodolfo
Rodellar, José
Vehí, Josep
Ministerio de Ciencia y Tecnología (Espanya)
2010-06-21T07:42:40Z
2010-06-07T12:29:31Z
2010-06-21T07:42:40Z
2004
Luo, N., Villamizar, R., Rodellar, J. Vehí, J. (2004). Active control of structures with uncertain coupled subsystems and actuator dynamics. Proceedings of the 2004 American Control Conference : 2004, 4, 3544-3549. Recuperat 21 juny 2010, a http://ieeexplore.ieee.org/stamp/stamp.jsp?tp=&arnumber=1384461
0-7803-8335-4
0743-1619
http://hdl.handle.net/10256/2671
This paper deals with the problem of stabilizing a class of structures subject to an uncertain excitation due to the temporary coupling of the main system with another uncertain dynamical subsystem. A Lyapunov function based control scheme is proposed to attenuate the structural vibration. In the control design, the actuator dynamics is taken into account. The control scheme is implemented by using only feedback information of the main system. The effectiveness of the control scheme is shown for a bridge platform with crossing vehicle
Submitted by Gestor del Dipòsit (ddocsadmin) on 2010-06-07T12:29:31Z
No. of bitstreams: 1
227.pdf: 298864 bytes, checksum: 8e6722fee26ffa55b9f301198c490e0e (MD5)
Approved for entry into archive by Claudia Plana(claudia.plana@udg.edu) on 2010-06-21T07:42:40Z (GMT) No. of bitstreams: 2
mets.xml: 273562 bytes, checksum: 1af558f013ff38bb69a383dcf1e820e1 (MD5)
227.pdf: 298864 bytes, checksum: 8e6722fee26ffa55b9f301198c490e0e (MD5)
Made available in DSpace on 2010-06-21T07:42:40Z (GMT). No. of bitstreams: 2
mets.xml: 273562 bytes, checksum: 1af558f013ff38bb69a383dcf1e820e1 (MD5)
227.pdf: 298864 bytes, checksum: 8e6722fee26ffa55b9f301198c490e0e (MD5)
Previous issue date: 2004
This work has been funded by lhe Commission of Science and Technology of Spain (CICYT) under the Project DPI2002-04018
application/pdf
eng
IEEE
MICYT/PN 2002-2005/DPI2002-04018-C02-02
© Proceedings of the 2004 American Control Conference, 2004, vol. 4, p. 3544-3549
Articles publicats (D-EEEiA)
Tots els drets reservats
info:eu-repo/semantics/openAccess
Actuadors
Control automàtic
Lyapunov, Funcions de
Ponts -- Efectes sísmics
Ponts -- Vibració
Actuators
Automatic control
Bridges -- Earthquake effects
Bridges -- Vibration
Lyapunov functions
Active control of structures with uncertain coupled subsystems and actuator dynamics
info:eu-repo/semantics/article
rc1
ORIGINAL
227.pdf
227.pdf
application/pdf
298864
https://dugi-doc.udg.edu/bitstream/10256/2671/1/227.pdf
8e6722fee26ffa55b9f301198c490e0e
MD5
1
LICENSE
license.txt
license.txt
text/plain
1748
https://dugi-doc.udg.edu/bitstream/10256/2671/2/license.txt
8a4605be74aa9ea9d79846c1fba20a33
MD5
2
SWORD
mets.xml
SWORD deposit package
text/xml
273562
https://dugi-doc.udg.edu/bitstream/10256/2671/3/mets.xml
1af558f013ff38bb69a383dcf1e820e1
MD5
3
TEXT
227.pdf.txt
227.pdf.txt
Extracted text
text/plain
17263
https://dugi-doc.udg.edu/bitstream/10256/2671/4/227.pdf.txt
4d6c053665c5c11b70ad3d4db7a92d68
MD5
4
THUMBNAIL
227.pdf.jpg
227.pdf.jpg
Thumbnail
image/jpeg
1846
https://dugi-doc.udg.edu/bitstream/10256/2671/5/227.pdf.jpg
a5122e752bea3f6b1e1a29cb33fb3ccb
MD5
5
10256/2671
oai:dugi-doc.udg.edu:10256/2671
2016-09-09 13:05:18.391
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/32832021-04-30T08:46:12Zcom_10256_1531com_10256_2943col_10256_1551col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Salvador Sedano, Pedro
Duran i Portas, Miquel
Mayer, István
Dirección General de Enseñanza Superior e Investigación Científica (España)
2011-03-22T11:12:36Z
2010-12-14T12:55:02Z
2011-03-22T11:12:36Z
2001
Salvador, P., Duran, M. i Mayer, I. (2001). One- and two-center energy components in the atoms in molecules theory. Journal of Chemical Physics, 115 (3), 1153 . Recuperat 22 març 2011, a http://link.aip.org/link/doi/10.1063/1.1381407
0021-9606
http://hdl.handle.net/10256/3283
http://dx.doi.org/10.1063/1.1381407
1089-7690
The energy decomposition scheme proposed in a recent paper has been realized by performing numerical integrations. The sample calculations carried out for some simple molecules show excellent agreement with the chemical picture of molecules, indicating that such an energy decomposition analysis can be useful from the point of view of connecting quantum mechanics with the genuine chemical concepts
Submitted by Gestor del Dipòsit (ddocsadmin) on 2010-12-14T12:55:02Z
No. of bitstreams: 1
525.pdf: 59132 bytes, checksum: a07a2b2293d90355fafcb28c7b68f774 (MD5)
Made available in DSpace on 2011-03-22T11:12:36Z (GMT). No. of bitstreams: 2
mets.xml: 46143 bytes, checksum: 47a306a48f701d6723e84bf0f349ed89 (MD5)
525.pdf: 59132 bytes, checksum: a07a2b2293d90355fafcb28c7b68f774 (MD5)
Previous issue date: 2001
This research was supported in part by the Improving the Human Potential Program, Access to Research Infrastructures, under Contract No. HPRI-1999-CT-00071 ‘‘Access to CESCA and CEPBA Large Scale Facilities’’ established between The European Community and CESCA–CEPBA, making possible a short stay of I.M. in Girona, during which this work has been performed. He acknowledges this support and the warm hospitality of the members of the Girona group. Furthermore, this work has been partially funded through the Spanish DGES Project No. PB98-0457-C02-01. P.S. acknowledges the financial support by CIRIT Grant No. 1998F1-00564. I.M. acknowledges the continuous support of the Hungarian Scientific Research Fund ~Grant No. T29716!
application/pdf
eng
American Institute of Physics
DGESIC/PN 1999-2002/PB98-0457-C02-01
Reproducció digital del document publicat a: http://dx.doi.org/10.1063/1.1381407
© Journal of Chemical Physics, 2007, vol. 115, núm. 3, p. 1153-1157
Articles publicats (D-Q)
Tots els drets reservats
info:eu-repo/semantics/openAccess
Àtoms
Molècules
Orbitals moleculars
Teoria molecular
Atoms
Molecules
Molecular orbitals
Molecular Theory
One- and two-center energy components in the atoms in molecules theory
info:eu-repo/semantics/article
rc1
TEXT
525.pdf.txt
525.pdf.txt
Extracted text
text/plain
23251
https://dugi-doc.udg.edu/bitstream/10256/3283/8/525.pdf.txt
4054d5c94243c6613fd03caa1dc37c7a
MD5
8
THUMBNAIL
525.pdf.jpg
525.pdf.jpg
Thumbnail
image/jpeg
1538
https://dugi-doc.udg.edu/bitstream/10256/3283/9/525.pdf.jpg
6c326f6772d9ddc45454c0534481d8d8
MD5
9
ORIGINAL
525.pdf
525.pdf
application/pdf
59132
https://dugi-doc.udg.edu/bitstream/10256/3283/1/525.pdf
a07a2b2293d90355fafcb28c7b68f774
MD5
1
LICENSE
license.txt
license.txt
text/plain
1748
https://dugi-doc.udg.edu/bitstream/10256/3283/2/license.txt
8a4605be74aa9ea9d79846c1fba20a33
MD5
2
SWORD
mets.xml
SWORD deposit package
text/xml
46143
https://dugi-doc.udg.edu/bitstream/10256/3283/3/mets.xml
47a306a48f701d6723e84bf0f349ed89
MD5
3
10256/3283
oai:dugi-doc.udg.edu:10256/3283
2021-04-30 10:46:12.03
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/32802021-04-30T08:47:28Zcom_10256_2943com_10256_1531col_10256_10899col_10256_1551RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Torrent Sucarrat, Miquel
Solà i Puig, Miquel
Duran i Portas, Miquel
Luis Luis, Josep Maria
Kirtman, Bernard
Ministerio de Ciencia y Tecnología (Espanya)
Dirección General de Enseñanza Superior e Investigación Científica (España)
2011-03-22T08:45:31Z
2010-12-14T12:56:27Z
2011-03-22T08:45:31Z
2004-03-25
Torrent-Sucarrat, M., Solà, M., Duran, M., Luis, J.M., i Kirtman, B. (2004). Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules. Journal of Chemical Physics, 120 (14), 6346-6355. Recuperat 22 març 2011, a http://link.aip.org/link/doi/10.1063/1.1667465
0021-9606
http://hdl.handle.net/10256/3280
http://dx.doi.org/10.1063/1.1667465
002884
1089-7690
The level of ab initio theory which is necessary to compute reliable values for the static and dynamic (hyper)polarizabilities of three medium size π-conjugated organic nonlinear optical (NLO) molecules is investigated. With the employment of field-induced coordinates in combination with a finite field procedure, the calculations were made possible. It is stated that to obtain reasonable values for the various individual contributions to the (hyper)polarizability, it is necessary to include electron correlation. Based on the results, the convergence of the usual perturbation treatment for vibrational anharmonicity was examined
Submitted by Gestor del Dipòsit (ddocsadmin) on 2010-12-14T12:56:27Z
No. of bitstreams: 1
546.pdf: 98371 bytes, checksum: dc1fb6c4be619136abe8ae7655a97d31 (MD5)
Made available in DSpace on 2011-03-22T08:45:31Z (GMT). No. of bitstreams: 2
mets.xml: 82690 bytes, checksum: 507da612d1cfd09d2b46332427372a2a (MD5)
546.pdf: 98371 bytes, checksum: dc1fb6c4be619136abe8ae7655a97d31 (MD5)
Previous issue date: 2004
Support for this work under Grant Nos. BQU2002-04112-C02-02 and PB98-0457-C02-01 from the Dirección
General de Enseñanza Superior e Investigación Científica y Técnica -MEC--Spain is acknowledged. One of us M.T. thanks the Generalitat of Catalunya for financial help through CIRIT Project No. FI/01-00699
application/pdf
eng
American Institute of Physics
MICYT/PN 2002-2005/BQU2002-04112-C02-02
DGESIC/PN 1999-2002/PB98-0457-C02-01
Reproducció digital del document publicat a: http://dx.doi.org/10.1063/1.1667465
© Journal of Chemical Physics, 2004, vol. 120, núm. 14, p. 6346-6355
Articles publicats (D-Q)
Tots els drets reservats
info:eu-repo/semantics/openAccess
Anàlisi harmònica
Càlcul de variacions
Dinàmica molecular
Electrons
Molècules
Òptica no lineal
Pertorbació (Matemàtica)
Polarització (Electricitat)
Calculus of variations
Harmonic analysis
Molecules
Molecular dynamics
Nonlinear optics
Perturbation (Mathematics)
Polarization (Electricity)
Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules
info:eu-repo/semantics/article
rc1
TEXT
546.pdf.txt
546.pdf.txt
Extracted text
text/plain
39613
https://dugi-doc.udg.edu/bitstream/10256/3280/4/546.pdf.txt
83e72a97b1ce17c41abea03d56d3a0d4
MD5
4
THUMBNAIL
546.pdf.jpg
546.pdf.jpg
Thumbnail
image/jpeg
1533
https://dugi-doc.udg.edu/bitstream/10256/3280/5/546.pdf.jpg
84c50036a1865313da1145bbc2a76236
MD5
5
ORIGINAL
546.pdf
546.pdf
application/pdf
98371
https://dugi-doc.udg.edu/bitstream/10256/3280/1/546.pdf
dc1fb6c4be619136abe8ae7655a97d31
MD5
1
LICENSE
license.txt
license.txt
text/plain
1748
https://dugi-doc.udg.edu/bitstream/10256/3280/2/license.txt
8a4605be74aa9ea9d79846c1fba20a33
MD5
2
SWORD
mets.xml
SWORD deposit package
text/xml
82690
https://dugi-doc.udg.edu/bitstream/10256/3280/3/mets.xml
507da612d1cfd09d2b46332427372a2a
MD5
3
10256/3280
oai:dugi-doc.udg.edu:10256/3280
2021-04-30 10:47:28.683
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/34832016-04-13T08:10:58Zcom_10256_1516com_10256_2943col_10256_1535col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Bruix, Marta
Ribó i Panosa, Marc
Benito i Mundet, Antoni
Ministerio de Educación y Ciencia (Espanya)
2011-07-12T11:56:39Z
2011-07-12T11:56:39Z
2008-03
Bruix, M., Ribó, M., Benito, A., Laurents,D.V., Rico, M., i Vilanova, M. (2008). Destabilizing Mutations Alter the Hydrogen Exchange Mechanism in Ribonuclease A. Biophysical Journal, 94 (6), 2297–2305. Recuperat 12 juliol de 2011,a http://www.cell.com/biophysj/archive/issue?pii=S0006-3495%2808%29X7013-4
0006-3495
http://hdl.handle.net/10256/3483
http://dx.doi.org/10.1529/biophysj.107.122952
008161
The effect of strongly destabilizing mutations, I106A and V108G of Ribonuclease A (RNase A), on its structure and stability has been determined by NMR. The solution structures of these variants are essentially equivalent to RNase A. The exchange rates of the most protected amide protons in RNase A (35ºC), the I106A variant (35ºC), and the V108G variant (10ºC) yield stability values of 9.9, 6.0, and 6.8 kcal/mol, respectively, when analyzed assuming an EX2 exchange mechanism. Thus, the destabilization induced by these mutations is propagated throughout the protein. Simulation of RNase A hydrogen
exchange indicates that the most protected protons in RNase A and the V108G variant exchange via the EX2 regime, whereas
those of I106A exchange through a mixed EX1 1 EX2 process. It is striking that a single point mutation can alter the overall
exchange mechanism. Thus, destabilizing mutations joins high temperatures, high pH and the presence of denaturating agents
as a factor that induces EX1 exchange in proteins. The calculations also indicate a shift from the EX2 to the EX1 mechanism for
less protected groups within the same protein. This should be borne in mind when interpreting exchange data as a measure of
local stability in less protected regions
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2011-07-12T11:56:31Z
No. of bitstreams: 1
Destabilizing_Mutations_Alter.pdf: 611424 bytes, checksum: 13a1b56c780b92f8f32c197033d6b8c4 (MD5)
Approved for entry into archive by Claudia Plana(claudia.plana@udg.edu) on 2011-07-12T11:56:39Z (GMT) No. of bitstreams: 1
Destabilizing_Mutations_Alter.pdf: 611424 bytes, checksum: 13a1b56c780b92f8f32c197033d6b8c4 (MD5)
Made available in DSpace on 2011-07-12T11:56:39Z (GMT). No. of bitstreams: 1
Destabilizing_Mutations_Alter.pdf: 611424 bytes, checksum: 13a1b56c780b92f8f32c197033d6b8c4 (MD5)
Previous issue date: 2008-03
application/pdf
eng
Biophysical Society
MEC/PN 2006-2009/BFU2006-15543-CO2-02
Reproducció digital del document publicat a: http://dx.doi.org/10.1529/biophysj.107.122952
© Biophysical Journal, vol. 94, núm. 6, p. 2297–2305
Articles publicats (D-B)
Tots els drets reservats
info:eu-repo/semantics/openAccess
Ribonucleases
Destabilizing Mutations Alter the Hydrogen Exchange Mechanism in Ribonuclease A
info:eu-repo/semantics/article
rc1
ORIGINAL
Destabilizing_Mutations_Alter.pdf
Destabilizing_Mutations_Alter.pdf
application/pdf
611424
https://dugi-doc.udg.edu/bitstream/10256/3483/1/Destabilizing_Mutations_Alter.pdf
13a1b56c780b92f8f32c197033d6b8c4
MD5
1
LICENSE
license.txt
license.txt
text/plain
1837
https://dugi-doc.udg.edu/bitstream/10256/3483/2/license.txt
da9f65b6f044983f445454f251de50a7
MD5
2
TEXT
Destabilizing_Mutations_Alter.pdf.txt
Destabilizing_Mutations_Alter.pdf.txt
Extracted text
text/plain
45613
https://dugi-doc.udg.edu/bitstream/10256/3483/3/Destabilizing_Mutations_Alter.pdf.txt
f8c07422eb5b4d0865e63c3d244da42f
MD5
3
THUMBNAIL
Destabilizing_Mutations_Alter.pdf.jpg
Destabilizing_Mutations_Alter.pdf.jpg
Thumbnail
image/jpeg
1579
https://dugi-doc.udg.edu/bitstream/10256/3483/4/Destabilizing_Mutations_Alter.pdf.jpg
10b4e92302d8fcf78bc3cbc0434af141
MD5
4
10256/3483
oai:dugi-doc.udg.edu:10256/3483
2016-04-13 10:10:58.07
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/35622016-04-13T08:11:28Zcom_10256_1516com_10256_2943col_10256_1535col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Torrent i Mas, Joan
Marchal, Stéphane
Ribó i Panosa, Marc
Vilanova i Brugués, Maria
Georges, Cédric
Dupont, Yves
Lange, Reinhard
Ministerio de Educación y Ciencia (Espanya)
2011-09-14T15:52:57Z
2011-09-14T15:52:57Z
2008
Torrent ,J., Marchal, S., Ribó, M., Vilanova, M., Georges, C., Dupont, Y., i Lange, R. (2008). Distinct unfolding and refolding pathways of ribonuclease a revealed by heating and cooling temperature jumps. Biophysical Journal, 94 (10), 4056-4065. Recuperat 14 setembre de 2011, a doi:10.1529/biophysj.107.123893
0006-3495
http://hdl.handle.net/10256/3562
http://dx.doi.org/10.1529/biophysj.107.123893
009776
Heating and cooling temperature jumps (T-jumps) were performed using a newly developed technique to trigger unfolding and refolding of wild-type ribonuclease A and a tryptophan-containing variant (Y115W). From the linear Arrhenius plots of the microscopic folding and unfolding rate constants, activation enthalpy (ΔH#), and activation entropy (ΔS#) were determined to characterize the kinetic transition states (TS) for the unfolding and refolding reactions. The single TS of the wild-type protein was split into three for the Y115W variant. Two of these transition states, TS1 and TS2, characterize a slow kinetic phase, and one, TS3, a fast phase. Heating T-jumps induced protein unfolding via TS2 and TS3; cooling T-jumps induced refolding via TS1 and TS3. The observed speed of the fast phase increased at lower temperature, due to a strongly negative ΔH# of the folding-rate constant. The results are consistent with a path-dependent protein folding/unfolding mechanism. TS1 and TS2 are likely to reflect X-Pro114 isomerization in the folded and unfolded protein, respectively, and TS3 the local conformational change of the β-hairpin comprising Trp115. A very fast protein folding/unfolding phase appears to precede both processes. The path dependence of the observed kinetics is suggestive of a rugged energy protein folding funne
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2011-09-14T15:52:33Z
No. of bitstreams: 1
Distinct_Unfolding_Refolding.pdf: 450965 bytes, checksum: 97864499601d6733b80b16f71a8993e3 (MD5)
Approved for entry into archive by Claudia Plana(claudia.plana@udg.edu) on 2011-09-14T15:52:57Z (GMT) No. of bitstreams: 1
Distinct_Unfolding_Refolding.pdf: 450965 bytes, checksum: 97864499601d6733b80b16f71a8993e3 (MD5)
Made available in DSpace on 2011-09-14T15:52:57Z (GMT). No. of bitstreams: 1
Distinct_Unfolding_Refolding.pdf: 450965 bytes, checksum: 97864499601d6733b80b16f71a8993e3 (MD5)
Previous issue date: 2008
This work was carried out in the frame of COST Chemistry D30-WG005 cooperation and supported by a grant (BFU2006-15543-CO2-02/BMC) from the Ministerio de Educacio´n y Ciencia (Spain)
application/pdf
eng
Biophysical Society
MEC/PN 2006-2009/BFU2006-15543-CO2-02
Reproducció digital del document publicat a: http://dx.doi.org/10.1529/biophysj.107.123893
© Biophysical Journal, 2008, vol. 94, núm. 10, p.4056-4065
Articles publicats (D-B)
Tots els drets reservats
info:eu-repo/semantics/openAccess
Ribonucleases
Calor
Fred
Química -- Simulació per ordinador
Chemistry -- Computer simulation
Cold
Heat
Distinct Unfolding and Refolding Pathways of Ribonuclease A Revealed by Heating and Cooling Temperature Jumps
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
rc1
ORIGINAL
Distinct_Unfolding_Refolding.pdf
Distinct_Unfolding_Refolding.pdf
application/pdf
450965
https://dugi-doc.udg.edu/bitstream/10256/3562/1/Distinct_Unfolding_Refolding.pdf
97864499601d6733b80b16f71a8993e3
MD5
1
LICENSE
license.txt
license.txt
text/plain
1837
https://dugi-doc.udg.edu/bitstream/10256/3562/2/license.txt
e3196b9c7231630e671d6de9326d7a40
MD5
2
TEXT
Distinct_Unfolding_Refolding.pdf.txt
Distinct_Unfolding_Refolding.pdf.txt
Extracted text
text/plain
51481
https://dugi-doc.udg.edu/bitstream/10256/3562/3/Distinct_Unfolding_Refolding.pdf.txt
d5e81f8042055f9163b10ad296fec466
MD5
3
THUMBNAIL
Distinct_Unfolding_Refolding.pdf.jpg
Distinct_Unfolding_Refolding.pdf.jpg
Thumbnail
image/jpeg
1610
https://dugi-doc.udg.edu/bitstream/10256/3562/4/Distinct_Unfolding_Refolding.pdf.jpg
85757dbe260402e98d3640a62a9ca40b
MD5
4
10256/3562
oai:dugi-doc.udg.edu:10256/3562
2016-04-13 10:11:28.971
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/71222024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Garcia Bosch, Isaac
Gómez Martín, Laura
Polo Ortiz, Alfonso
Ribas Salamaña, Xavi
Costas Salgueiro, Miquel
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2012-10-09T11:27:38Z
2012-10-09T11:27:38Z
2012
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
http://hdl.handle.net/10256/7122
http://dx.doi.org/10.1002/adsc.201100409
1615-4169
Novel manganese complexes containing N4-tetradentate ligands derived from chiral bipyrrolidinediamines catalyze the stereoselective epoxidation of a wide array of alkenes using low catalyst loadings (0.1 mol%) and hydrogen peroxide (1.2 equiv.) as terminal oxidant. This family of catalysts affords good to excellent yields (80–100%) and moderate to good ees (40–73%) in short reaction times (30 min) making efficient use of hydrogen peroxide
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2012-10-09T11:25:52Z
No. of bitstreams: 1
Stereoselective Epoxidation.pdf: 273345 bytes, checksum: e9f61be8643ade129d34afc1e8fc83da (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2012-10-09T11:26:49Z (GMT) No. of bitstreams: 1
Stereoselective Epoxidation.pdf: 273345 bytes, checksum: e9f61be8643ade129d34afc1e8fc83da (MD5)
Made available in DSpace on 2012-10-09T11:27:38Z (GMT). No. of bitstreams: 1
Stereoselective Epoxidation.pdf: 273345 bytes, checksum: e9f61be8643ade129d34afc1e8fc83da (MD5)
M.C. thanks MICINN (CTQ2009-08464/BQU and PhD grants to I.G.-B.) and the European Research Council (ERC-StG-239910). M. C. and X. R. acknowledge ICREA-Academia Awards, and SGR 2009-SGR637
application/pdf
eng
MICINN/PN 2010-2012/CTQ2009-08464
AGAUR/2009-2014/2009 SGR-637
Reproducció digital del document publicat a: http://dx.doi.org/10.1002/adsc.201100409
© Advanced Synthesis & Catalysis, 2012, vol. 354, núm. 1, p. 65-70
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/239910/EU/Bio-inspired Design of Catalysts for Selective Oxidations of C-H and C=C Bonds/BIDECASEOX
FP7
-1
BIDECASEOX
-1
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Manganès -- Compostos -- Oxidació
Manganese compounds -- Oxidation
Catalitzadors
Catalysts
Aigua oxigenada
Hydrogen peroxide
Reaccions químiques
Chemical reactions
Stereoselective Epoxidation of Alkenes with Hydrogen Peroxide using a Bipyrrolidine-Based Family of Manganese Complexes
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
NO
ORIGINAL
Stereoselective Epoxidation.pdf
Stereoselective Epoxidation.pdf
application/pdf
273345
https://dugi-doc.udg.edu/bitstream/10256/7122/1/Stereoselective+Epoxidation.pdf
e9f61be8643ade129d34afc1e8fc83da
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7122/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Stereoselective Epoxidation.pdf.jpg
Stereoselective Epoxidation.pdf.jpg
Generated Thumbnail
image/jpeg
3266
https://dugi-doc.udg.edu/bitstream/10256/7122/3/Stereoselective+Epoxidation.pdf.jpg
8e8e9885c831b6db4c245af7e2a05dab
MD5
3
10256/7122
oai:dugi-doc.udg.edu:10256/7122
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/71232024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Garcia Bosch, Isaac
Company Casadevall, Anna
Cady, Clyde W.
Styring, Stenbjörn
Browne, Wesley R.
Ribas Salamaña, Xavi
Costas Salgueiro, Miquel
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2012-10-10T07:02:27Z
2012-10-10T07:02:27Z
2011
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
http://hdl.handle.net/10256/7123
http://dx.doi.org/10.1002/anie.201100907
1521-3773
Aquest mateix article està publicat a l'edició alemanya d''Angewandte Chemie' (ISSN 0044-8249, EISSN 1521-3757), 2011, vol.123, núm. 25, p. 5766-5771. DOI http://dx.doi.org/10.1002/ange.201100907
HAT trick: [MnIV(OH)2(H,MePytacn)]2+ (A) and [MnIV(O)(OH)(H,MePytacn)]+ (B) differ in their reactions with CH bonds: compound A engages in typical single-step hydrogen atom transfer (HAT) reactions, whereas B first forms a substrate–B encounter complex (C; see scheme). This equilibrium alters the relative CH reactivity from that expected from CH bond dissociation energies
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2012-10-10T07:01:38Z
No. of bitstreams: 1
Evidence-Precursor.pdf: 793821 bytes, checksum: 1a4758919da785f78e5233e322ecba7f (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2012-10-10T07:02:06Z (GMT) No. of bitstreams: 1
Evidence-Precursor.pdf: 793821 bytes, checksum: 1a4758919da785f78e5233e322ecba7f (MD5)
Made available in DSpace on 2012-10-10T07:02:27Z (GMT). No. of bitstreams: 1
Evidence-Precursor.pdf: 793821 bytes, checksum: 1a4758919da785f78e5233e322ecba7f (MD5)
We thank Prof. Jim Mayer and Dr. Julio Lloret for reading this work and for helpful comments. M. C. thanks MICINN (CTQ2009-08464/BQU and PhD grants to I.G.-B) and the European Research Council (ERC-StG-239910). M. C. and X. R. acknowledge ICREA-Academia Awards, and SGR 2009-SGR637. S. S. thanks the Swedish Energy Agency, The K&A Wallenberg Foundation, and the EU/Energy project "SOLAR-H2". W. R. B. thanks Netherlands Technology Foundation STW grant no. 11059
application/pdf
eng
MICINN/PN 2010-2012/CTQ2009-08464
AGAUR/2009-2014/2009 SGR-637
Reproducció digital del document publicat a: http://dx.doi.org/10.1002/anie.201100907
© Angewandte Chemie International Edition, 2011, vol. 50, núm. 25, p. 5648-5653
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/239910/EU/Bio-inspired Design of Catalysts for Selective Oxidations of C-H and C=C Bonds/BIDECASEOX
FP7
-1
BIDECASEOX
-1
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Metalls de transició -- Compostos
Transition metal compounds
Manganès -- Compostos
Manganese compounds
Cinètica química
Chemical kinetics
Evidence for a Precursor Complex in CH Hydrogen Atom Transfer Reactions Mediated by a Manganese (IV) Oxo Complex
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
NO
ORIGINAL
Evidence-Precursor.pdf
Evidence-Precursor.pdf
International Edition
application/pdf
793821
https://dugi-doc.udg.edu/bitstream/10256/7123/1/Evidence-Precursor.pdf
1a4758919da785f78e5233e322ecba7f
MD5
1
EvidencePrecursor- GermanEdition.pdf
EvidencePrecursor- GermanEdition.pdf
German Edition
application/pdf
788721
https://dugi-doc.udg.edu/bitstream/10256/7123/4/EvidencePrecursor-+GermanEdition.pdf
bcc42a352fc5af886d0b1fb4a3595208
MD5
4
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7123/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Evidence-Precursor.pdf.jpg
Evidence-Precursor.pdf.jpg
Generated Thumbnail
image/jpeg
3238
https://dugi-doc.udg.edu/bitstream/10256/7123/3/Evidence-Precursor.pdf.jpg
570419a13a38cd8f508a2f504aa11278
MD5
3
EvidencePrecursor- GermanEdition.pdf.jpg
EvidencePrecursor- GermanEdition.pdf.jpg
Generated Thumbnail
image/jpeg
3219
https://dugi-doc.udg.edu/bitstream/10256/7123/5/EvidencePrecursor-+GermanEdition.pdf.jpg
32783e276d261349088b53ecadb8cbd6
MD5
5
10256/7123
oai:dugi-doc.udg.edu:10256/7123
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/71242024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Garcia Borràs, Marc
Osuna Oliveras, Sílvia
Luis Luis, Josep Maria
Swart, Marcel
Solà i Puig, Miquel
Ministerio de Educación y Ciencia (Espanya)
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2012-10-10T07:27:04Z
2012-10-10T07:27:04Z
2012
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
http://hdl.handle.net/10256/7124
http://dx.doi.org/10.1002/chem.201103701
1521-3765
The chemical functionalization of endohedral (metallo)fullerenes has become a main focus of research in the last few years. It has been found that the reactivity of endohedral (metallo)fullerenes may be quite different from that of the empty fullerenes. Encapsulated species have an enormous influence on the thermodynamics, kinetics, and regiochemistry of the exohedral addition reactions undergone by these species. A detailed understanding of the changes in chemical reactivity due to incarceration of atoms or clusters of atoms is essential to assist the synthesis of new functionalized endohedral fullerenes with specific properties. Herein, we report the study of the Diels–Alder cycloaddition between 1,3-butadiene and all nonequivalent bonds of the Ti2C2@D3h-C78 metallic carbide endohedral metallofullerene (EMF) at the BP86/TZP//BP86/DZP level of theory. The results obtained are compared with those found by some of us at the same level of theory for the D3h-C78 free cage and the M3N@D3h-C78 (M=Sc and Y) metallic nitride EMFs. It is found that the free cage is more reactive than the Ti2C2@D3h-C78 EMF and this, in turn, has a higher reactivity than M3N@D3h-C78. The results indicate that, for Ti2C2@D3h-C78, the corannulene-type [5, 6] bonds c and f, and the type B [6, 6] bond 3 are those thermodynamically and kinetically preferred. In contrast, the D3h-C78 free cage has a preference for addition to the [6, 6] 1 and 6 bonds and the [5, 6] b bond, whereas M3N@D3h-C78 favors additions to the [6, 6] 6 (M=Sc) and [5, 6] d (M=Y) bonds. The reasons for the regioselectivity found in Ti2C2@D3h-C78 are discussed
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2012-10-10T07:26:25Z
No. of bitstreams: 1
Exohedral-Diels-Alder.pdf: 1845627 bytes, checksum: 89116fadfcabc5caa16946d18f7bd1d3 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2012-10-10T07:26:46Z (GMT) No. of bitstreams: 1
Exohedral-Diels-Alder.pdf: 1845627 bytes, checksum: 89116fadfcabc5caa16946d18f7bd1d3 (MD5)
Made available in DSpace on 2012-10-10T07:27:04Z (GMT). No. of bitstreams: 1
Exohedral-Diels-Alder.pdf: 1845627 bytes, checksum: 89116fadfcabc5caa16946d18f7bd1d3 (MD5)
The following organizations are thanked for financial support: the Spanish Ministerio de Ciencia e Innovacion (MICINN, project numbers CTQ2008-03077/BQU, CTQ2008-06532/BQU, and CTQ2011-23156/BQU), and the DIUE of the Generalitat de Catalunya (project numbers 2009SGR637 and 2009SGR528). Financial support from MICINN and the FEDER fund (European Fund for Regional Development) was provided by grant UNGI08-4E-003. M.G.-B. thanks the Spanish Ministerio de Educacion, Cultura y Deporte for the doctoral fellowship number AP2010-2517. S.O. is grateful to the European Community for postdoctoral fellowship PIOF-GA-2009-252856. Excellent service by the Centre de Serveis Cientifics i Academics de Catalunya (CESCA) is gratefully acknowledged. The authors are also grateful for the computer resources, technical expertise, and assistance provided by the Barcelona Supercomputing Center-Centro Nacional de Supercomputacion. Support for the research of M. Sola was received through the ICREA Academia 2009 prize for excellence in research funded by the DIUE of the Generalitat de Catalunya
application/pdf
eng
info:eu-repo/grantAgreement/MICINN//CTQ2008-03077/ES/CLUSTERES METALICOS Y SEMIMETALICOS. ESTUDIOS DE AROMATICIDAD Y REACTIVIDAD/
info:eu-repo/grantAgreement/MICINN//CTQ2008-06532/ES/REACTIVIDAD Y ENLACE QUIMICO EN BIOMEDICINA Y QUIMICA (BIO)INORGANICA/
info:eu-repo/grantAgreement/MICINN//CTQ2011-23156/ES/AVANCES EN CATALISIS Y AROMATICIDAD/
AGAUR/2009-2014/2009 SGR-637
AGAUR/2009-2014/2009 SGR-528
Reproducció digital del document publicat a: http://dx.doi.org/10.1002/chem.201103701
© Chemistry : a European Journal, 2012, vol. 18, núm. 23, p. 7141-7154
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/252856/EU/Enzyme Design of Medical Interest/MEDENZYMEDESIGN
FP7
-1
MEDENZYMEDESIGN
-1
CLUSTERES METALICOS Y SEMIMETALICOS. ESTUDIOS DE AROMATICIDAD Y REACTIVIDAD
REACTIVIDAD Y ENLACE QUIMICO EN BIOMEDICINA Y QUIMICA (BIO)INORGANICA
AVANCES EN CATALISIS Y AROMATICIDAD
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Ful·lerens
Fullerenes
Enllaços químics
Chemical bonds
Reaccions químiques regioselectives
Regioselectivity Chemical reactions
Diels-Alder, Reacció de
The Exohedral Diels–Alder Reactivity of the Titanium Carbide Endohedral Metallofullerene Ti2C2@D3h-C78: Comparison with D3h-C78 and M3N@D3h-C78 (M=Sc and Y) Reactivity
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
NO
ORIGINAL
Exohedral-Diels-Alder.pdf
Exohedral-Diels-Alder.pdf
application/pdf
1845627
https://dugi-doc.udg.edu/bitstream/10256/7124/1/Exohedral-Diels-Alder.pdf
89116fadfcabc5caa16946d18f7bd1d3
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7124/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Exohedral-Diels-Alder.pdf.jpg
Exohedral-Diels-Alder.pdf.jpg
Generated Thumbnail
image/jpeg
3157
https://dugi-doc.udg.edu/bitstream/10256/7124/3/Exohedral-Diels-Alder.pdf.jpg
98448dd83a64c15e7603b467b8d834e5
MD5
3
10256/7124
oai:dugi-doc.udg.edu:10256/7124
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
Q29uZGljaW9ucyBkZWwgZGlww7JzaXQKCgpQZXIgcG9kZXIgcHVibGljYXIgZWwgZG9jdW1lbnQgYWwgRFVHaSBlbnMgY2FsIHVuYSBhdXRvcml0emFjacOzIHZvc3RyYSBwZXIgZGlmb25kcmUsIHB1YmxpY2FyIG8gY29tdW5pY2FyIGVsIHRleHQgZW4gbGVzIGNvbmRpY2lvbnMgc2Vnw7xlbnRzOgoKCi0gQXV0b3JpdHpvIGEgbGEgVW5pdmVyc2l0YXQgZGUgR2lyb25hIGEgZGlmb25kcmUsIHB1YmxpY2FyIG8gY29tdW5pY2FyIGVscyBkb2N1bWVudHMsIGRlIGZvcm1hIMOtbnRlZ3JhIG8gcGFyY2lhbCwgc2Vuc2Ugb2J0ZW5pciBjYXAgYmVuZWZpY2kgY29tZXJjaWFsLCDDum5pY2FtZW50IGFtYiBmaW5hbGl0YXRzIGRlIHJlY2VyY2EgaSBzdXBvcnQgbyBpbOKAomx1c3RyYWNpw7MgZGUgbGEgZG9jw6huY2lhLCBtaXRqYW7Dp2FudCBsYSBpbmNvcnBvcmFjacOzIGRlbHMgZG9jdW1lbnRzIGEgdW5hIGJhc2UgZGUgZGFkZXMgZWxlY3Ryw7JuaWNhIGTigJlhY2PDqXMgb2JlcnQuCgoKUGVyIGEgYXF1ZXN0ZXMgZmluYWxpdGF0cyBjZWRlaXhvIGRlIGZvcm1hIG5vIGV4Y2x1c2l2YSwgc2Vuc2UgbMOtbWl0IHRlbXBvcmFsIG5pIHRlcnJpdG9yaWFsLCBlbHMgZHJldHMgZOKAmWV4cGxvdGFjacOzIHF1ZSBlbSBjb3JyZXNwb25lbiBjb20gYSBhdXRvci9hLgoKCi0gQXV0b3JpdHpvIGEgbGEgVW5pdmVyc2l0YXQgZGUgR2lyb25hIGxhIGPDsnBpYSBkZWxzIGRvY3VtZW50cyBlbiB1biBhbHRyZSBzdXBvcnQsIGFkYXB0YXItbG9zIG8gdHJhbnNmb3JtYXItbG9zIGFtYiBmaW5hbGl0YXRzIGRlIGNvbnNlcnZhY2nDsyBvIGRpZnVzacOzLCBpIGzigJlhY29yZCBhbWIgdGVyY2VyZXMgcGVyc29uZXMgcGVyIHJlYWxpdHphciBhcXVlc3RhIGNvbnNlcnZhY2nDsyBpIGRpZnVzacOzIHJlc3BlY3RhbnQgbGEgY2Vzc2nDsyBkZSBkcmV0cyBxdWUgYXJhIGVmZWN0dW8uCgoKLSBFbSByZXNlcnZvIGxhIHJlc3RhIGRlIGRyZXRzIGFscyBxdWFscyBubyBlcyBmYSByZWZlcsOobmNpYSBlbiBlbCBwcmVzZW50IGRvY3VtZW50LgoKCkxhIFVkRyBhZ3JhZWl4IGxhIHZvc3RyYSBjb2zigKJsYWJvcmFjacOzLgo=
oai:dugi-doc.udg.edu:10256/71252024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Garcia Bosch, Isaac
Ribas Salamaña, Xavi
Costas Salgueiro, Miquel
Ministerio de Ciencia e Innovación (Espanya)
Ministerio de Ciencia y Tecnología (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2012-10-10T07:46:13Z
2012-10-10T07:46:13Z
2012
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
http://hdl.handle.net/10256/7125
http://dx.doi.org/10.1002/chem.201102372
1521-3765
Reactions of the unsymmetric dicopper(II) peroxide complex [CuII2(μ-η1:η1-O2)(m-XYLN3N4)]2+ (1 O2, where m-XYL is a heptadentate N-based ligand), with phenolates and phenols are described. Complex 1 O2 reacts with p-X-PhONa (X=MeO, Cl, H, or Me) at −90 °C performing tyrosinase-like ortho-hydroxylation of the aromatic ring to afford the corresponding catechol products. Mechanistic studies demonstrate that reactions occur through initial reversible formation of metastable association complexes [CuII2(μ-η1:η1-O2)(p-X-PhO)(m-XYLN3N4)]+ (1 O2⋅X-PhO) that then undergo ortho-hydroxylation of the aromatic ring by the peroxide moiety. Complex 1 O2 also reacts with 4-X-substituted phenols p-X-PhOH (X=MeO, Me, F, H, or Cl) and with 2,4-di-tert-butylphenol at −90 °C causing rapid decay of 1 O2 and affording biphenol coupling products, which is indicative that reactions occur through formation of phenoxyl radicals that then undergo radical CC coupling. Spectroscopic UV/Vis monitoring and kinetic analysis show that reactions take place through reversible formation of ground-state association complexes [CuII2(μ-η1:η1-O2)(X-PhOH)(m-XYLN3N4)]2+ (1 O2⋅X-PhOH) that then evolve through an irreversible rate-determining step. Mechanistic studies indicate that 1 O2 reacts with phenols through initial phenol binding to the Cu2O2 core, followed by a proton-coupled electron transfer (PCET) at the rate-determining step. Results disclosed in this work provide experimental evidence that the unsymmetric 1 O2 complex can mediate electrophilic arene hydroxylation and PCET reactions commonly associated with electrophilic Cu2O2 cores, and strongly suggest that the ability to form substrate⋅Cu2O2 association complexes may provide paths to overcome the inherent reactivity of the O2-binding mode. This work provides experimental evidence that the presence of a H+ completely determines the fate of the association complex [CuII2(μ-η1:η1-O2)(X-PhO(H))(m-XYLN3N4)]n+ between a PCET and an arene hydroxylation reaction, and may provide clues to help understand enzymatic reactions at dicopper sites
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2012-10-10T07:45:35Z
No. of bitstreams: 1
Electrophilic-Arene.pdf: 487352 bytes, checksum: 5ddb9d11a69ee9b549016c163e6f7cc3 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2012-10-10T07:45:58Z (GMT) No. of bitstreams: 1
Electrophilic-Arene.pdf: 487352 bytes, checksum: 5ddb9d11a69ee9b549016c163e6f7cc3 (MD5)
Made available in DSpace on 2012-10-10T07:46:13Z (GMT). No. of bitstreams: 1
Electrophilic-Arene.pdf: 487352 bytes, checksum: 5ddb9d11a69ee9b549016c163e6f7cc3 (MD5)
I. G.-B. thanks MICINN for a PhD grant. M. C. and X. R. acknowledge financial support from ICREA-Academia Awards, Catalan SGR 2009-SGR637, MICINN-Spain (CTQ2009-08464/BQU), the European Research Foundation for Project ERC-2009-StG-239910, and Consolider Ingenio/CSD2010-00065
application/pdf
eng
MICYT/CTQ2009-08864
MICINN/PN 2010-2016/CSD2010-00065
AGAUR/2009-2014/2009 SGR-637
Reproducció digital del document publicat a: http://dx.doi.org/10.1002/chem.201102372
© Chemistry : a European Journal, 2012, vol. 18, núm. 7, p. 2113-2122
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/239910/EU/Bio-inspired Design of Catalysts for Selective Oxidations of C-H and C=C Bonds/BIDECASEOX
FP7
-1
BIDECASEOX
-1
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Química -- Proves i reactius
Chemical tests and reagents
Reaccions químiques
Chemical reactions
Electrophilic Arene Hydroxylation and Phenol OH Oxidations Performed by an Unsymmetric μ-η1:η1-O2-Peroxo Dicopper(II) Complex
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
NO
ORIGINAL
Electrophilic-Arene.pdf
Electrophilic-Arene.pdf
application/pdf
487352
https://dugi-doc.udg.edu/bitstream/10256/7125/1/Electrophilic-Arene.pdf
5ddb9d11a69ee9b549016c163e6f7cc3
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7125/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Electrophilic-Arene.pdf.jpg
Electrophilic-Arene.pdf.jpg
Generated Thumbnail
image/jpeg
3240
https://dugi-doc.udg.edu/bitstream/10256/7125/3/Electrophilic-Arene.pdf.jpg
ad513126e699a012ba24ee0c8794faa5
MD5
3
10256/7125
oai:dugi-doc.udg.edu:10256/7125
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/71262024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Garcia Bosch, Isaac
Ribas Salamaña, Xavi
Costas Salgueiro, Miquel
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2012-10-10T07:59:46Z
2012-10-10T07:59:46Z
2012
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
http://hdl.handle.net/10256/7126
http://dx.doi.org/10.1002/ejic.201100957
015873
1099-0682
Oxygen binding and activation reactions at dimetal sites constitute chemical processes of fundamental interest, because of the implication of these reactions in biology, chemical synthesis, and catalysis. This account collects and discusses studies of O2 binding and/or activation by inequivalent dimetal sites, and it specially focuses on systems in which O2-bound reaction intermediates have been experimentally characterized. Homometallic unsymmetric systems and heterometallic complexes are reviewed, and their chemistry in oxidative transformations is described. Introduction of asymmetry into M2O2 cores poses important challenges to their preparation, and strategies developed to address this problem are discussed. Distinct spectroscopic and chemical properties emerge from these unsymmetric systems
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2012-10-10T07:59:10Z
No. of bitstreams: 1
Well-Defined.pdf: 1259267 bytes, checksum: f91525d9031da3b2afc774f419ff33ca (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2012-10-10T07:59:29Z (GMT) No. of bitstreams: 1
Well-Defined.pdf: 1259267 bytes, checksum: f91525d9031da3b2afc774f419ff33ca (MD5)
Made available in DSpace on 2012-10-10T07:59:46Z (GMT). No. of bitstreams: 1
Well-Defined.pdf: 1259267 bytes, checksum: f91525d9031da3b2afc774f419ff33ca (MD5)
We thank Dr. A. Company for fruitful discussions. I. G.-B. thanks the Ministerio de Ciencia e Innovacion (MICINN) for a PhD grant. M. C. and X. R. acknowledge financial support by Institucio Catalana de Recerca i Estudis Avancats (ICREA-Academia), Generalitat de Catalunya (2009-SGR637), Ministerio de Ciencia e Innovacion (MICINN), Spain (CTQ2009-08464/BQU), the European Research Council (project ERC-2009-StG-239910), and Consolider Ingenio (CSD2010-00065)
application/pdf
eng
MICINN/PN 2010-2012/CTQ2009-08464
MICINN/PN 2010-2016/CSD2010-00065
AGAUR/2009-2014/2009 SGR-637
Reproducció digital del document publicat a: http://dx.doi.org/10.1002/ejic.201100957
© European Journal of Inorganic Chemistry, 2012, núm. 2, p. 179-187
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/239910/EU/Bio-inspired Design of Catalysts for Selective Oxidations of C-H and C=C Bonds/BIDECASEOX
FP7
-1
BIDECASEOX
-1
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Oxigen actiu
Active oxygen
Química bioorgànica
Bioorganic chemistry
Compostos de coordinació
Coordination compounds
Well-Defined Heterometallic and Unsymmetric M2O2 Complexes Arising from Binding and Activation of O2
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
NO
ORIGINAL
Well-Defined.pdf
Well-Defined.pdf
application/pdf
1259267
https://dugi-doc.udg.edu/bitstream/10256/7126/1/Well-Defined.pdf
f91525d9031da3b2afc774f419ff33ca
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7126/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Well-Defined.pdf.jpg
Well-Defined.pdf.jpg
Generated Thumbnail
image/jpeg
3344
https://dugi-doc.udg.edu/bitstream/10256/7126/3/Well-Defined.pdf.jpg
c6cc962d8ba658484df96b3f54f57602
MD5
3
10256/7126
oai:dugi-doc.udg.edu:10256/7126
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/71272024-02-21T12:14:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Ramos Cordoba, Eloy
Matito i Gras, Eduard
Mayer, István
Salvador Sedano, Pedro
Ministerio de Ciencia e Innovación (Espanya)
2012-10-10T09:56:38Z
2012-10-10T09:56:38Z
2012
http://hdl.handle.net/10256/7127
http://dx.doi.org/10.1021/ct300050c
016130
1549-9626
In this work, we demonstrate that there is a continuum of different formulations for the decomposition of Ŝ2 that fulfills all physical requirements imposed to date. We introduce a new criterion based upon the behavior of single-electron systems to fix the value of the parameter defining that continuum, and thus we put forward a new general formula applicable for both single-determinant and correlated wave functions. The numerical implementation has been carried out in the three-dimensional physical space for several atomic definitions. A series of representative closed-shell and open-shell systems have been used to illustrate the performance of this new decomposition scheme against other existing approaches. Unlike other decompositions of Ŝ2, the new scheme provides very small local-spin values for genuine diamagnetic molecules treated with correlated wave functions, in conformity with the physical expectations
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2012-10-10T09:56:04Z
No. of bitstreams: 1
Toward-Unique-Definition.pdf: 332072 bytes, checksum: 18ccb72d13ec09a466035f5c3d6e13f5 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2012-10-10T09:56:23Z (GMT) No. of bitstreams: 1
Toward-Unique-Definition.pdf: 332072 bytes, checksum: 18ccb72d13ec09a466035f5c3d6e13f5 (MD5)
Made available in DSpace on 2012-10-10T09:56:38Z (GMT). No. of bitstreams: 1
Toward-Unique-Definition.pdf: 332072 bytes, checksum: 18ccb72d13ec09a466035f5c3d6e13f5 (MD5)
Financial help has been furnished by the Spanish MICINN Project Nos. CTQ2011-23441/BQU and CTQ2011-23156/BQU and Accion Complementaria del MCI (PCI2006-A7-0631). Financial support from MICINN and the FEDER fund (European Fund for Regional Development) was also provided by grant UNGI08-4E-003. E.R.-C. acknowledges support from the Spanish FPU program (Grant No. AP2008-01231). E.M. acknowledges financial support from the EU under a Marie Curie Career Integration grant (PCI09-GA-2011-294240) and the Beatriu de Pinos program from AGAUR for the postdoctoral grant (BP_B_00236). I.M. acknowledges partial financial support from the Hungarian Scientific Research Fund (grant OTKA 71816)
application/pdf
eng
info:eu-repo/grantAgreement/MICINN//CTQ2011-23441/ES/NUEVOS ENFOQUES PARA EL ESTUDIO COMPUTACIONAL DE BIOMOLECULAS, INTERACCIONES DE ESPIN EN AGREGADOS METALICOS Y SISTEMAS MOLECULARES DE ALMACENAMIENTO DE HIDROGENO/
info:eu-repo/grantAgreement/MICINN//CTQ2011-23156/ES/AVANCES EN CATALISIS Y AROMATICIDAD/
Versió postprint del document publicat a: http://dx.doi.org/10.1021/ct300050c
© Journal of Chemical Theory and Computation, 2012, vol. 8, núm. 4, p. 1270-1279
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/294240/EU/Development of new non-empirical DFT functionals./NEWDFTFUNCT
FP7
NEWDFTFUNCT
NUEVOS ENFOQUES PARA EL ESTUDIO COMPUTACIONAL DE BIOMOLECULAS, INTERACCIONES DE ESPIN EN AGREGADOS METALICOS Y SISTEMAS MOLECULARES DE ALMACENAMIENTO DE HIDROGENO
AVANCES EN CATALISIS Y AROMATICIDAD
Tots els drets reservats
info:eu-repo/semantics/openAccess
Química quàntica
Quantum chemistry
Toward a Unique Definition of the Local Spin
info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
NO
ORIGINAL
accepted_7127.pdf
accepted_7127.pdf
application/pdf
415449
https://dugi-doc.udg.edu/bitstream/10256/7127/4/accepted_7127.pdf
7c05f6447b365a0d4d84522f429a3c7b
MD5
4
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7127/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Toward-Unique-Definition.pdf.jpg
Toward-Unique-Definition.pdf.jpg
Generated Thumbnail
image/jpeg
3616
https://dugi-doc.udg.edu/bitstream/10256/7127/3/Toward-Unique-Definition.pdf.jpg
de6e7df0fa81c2f800b275ed409ec839
MD5
3
10256/7127
oai:dugi-doc.udg.edu:10256/7127
2024-02-21 13:14:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/71282024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Garcia Borràs, Marc
Romero Rivera, Adrián
Osuna Oliveras, Sílvia
Luis Luis, Josep Maria
Swart, Marcel
Solà i Puig, Miquel
Ministerio de Ciencia e Innovación (Espanya)
2012-10-10T10:26:02Z
2012-10-10T10:26:02Z
2012
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
http://hdl.handle.net/10256/7128
http://dx.doi.org/10.1021/ct300044x
016079
1549-9626
Functionalization of endohedral metallofullerenes (EMFs) is an active line of research that is important for obtaining nanomaterials with unique properties that might be used in a variety of fields, ranging from molecular electronics to biomedical applications. Such functionalization is commonly achieved by means of cycloaddition reactions. The scarcity of both experimental and theoretical studies analyzing the exohedral regioselectivity of cycloaddition reactions involving EMFs translates into a poor understanding of the EMF reactivity. From a theoretical point of view, the main obstacle is the high computational cost associated with this kind of studies. To alleviate the situation, we propose an approach named the frozen cage model (FCM) based on single point energy calculations at the optimized geometries of the empty cage products. The FCM represents a fast and computationally inexpensive way to perform accurate qualitative predictions of the exohedral regioselectivity of cycloaddition reactions in EMFs. Analysis of the Dimroth approximation, the activation strain or distortion/interaction model, and the noncluster energies in the Diels–Alder cycloaddition of s-cis-1,3-butadiene to X@D3h-C78 (X = Ti2C2, Sc3N, and Y3N) EMFs provides a justification of the method
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2012-10-10T10:25:27Z
No. of bitstreams: 1
Frozen-Cage-Model.pdf: 562916 bytes, checksum: 0a97b6a4c269ac438c4c1cd25e57e157 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2012-10-10T10:25:44Z (GMT) No. of bitstreams: 1
Frozen-Cage-Model.pdf: 562916 bytes, checksum: 0a97b6a4c269ac438c4c1cd25e57e157 (MD5)
Made available in DSpace on 2012-10-10T10:26:02Z (GMT). No. of bitstreams: 1
Frozen-Cage-Model.pdf: 562916 bytes, checksum: 0a97b6a4c269ac438c4c1cd25e57e157 (MD5)
The following organizations are thanked for financial support: the Ministerio de Ciencia e Innovacion (MICINN, Project Nos. CTQ2011-25086/BQU and CTQ2011-23156), and the DIUE of the Generalitat de Catalunya (Project Nos. 2009SGR637 and 2009SGR528). MG.-B. thanks the Spanish MEC for doctoral fellowship AP2010-2517. S.O. is grateful to the European Community for postdoctoral fellowship PIOF-GA-2009-252856. Excellent service by the Centre de Serveis Cientific i Academics de Catalunya (CESCA) is gratefully acknowledged. The authors also are grateful to the computer resources, technical expertise, and assistance provided by the Barcelona Supercomputing Center-Centro Nacional de Supercomputation. Support for the research of M.S. was received through the ICREA Academia 2009 prize for excellence in research funded by the DIUE of the Generalitat de Catalunya
application/pdf
eng
info:eu-repo/grantAgreement/MICINN//CTQ2011-25086/ES/MODELIZACION MULTIESCALAR EN (BIO)QUIMICA/
info:eu-repo/grantAgreement/MICINN//CTQ2011-23156/ES/AVANCES EN CATALISIS Y AROMATICIDAD/
AGAUR/2009-2014/2009 SGR-637
AGAUR/2009-2014/2009 SGR-528
Reproducció digital del document publicat a: http://dx.doi.org/10.1021/ct300044x
© Journal of Chemical Theory and Computation, 2012, vol. 8, núm. 5, p. 1671-1683
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/252856/EU/Enzyme Design of Medical Interest/MEDENZYMEDESIGN
FP7
-1
MEDENZYMEDESIGN
-1
AVANCES EN CATALISIS Y AROMATICIDAD
MODELIZACION MULTIESCALAR EN (BIO)QUIMICA
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Ful·lerens
Fullerenes
Enllaços químics
Chemical bonds
Reaccions químiques regioselectives
Regioselectivity Chemical reactions
Ciclització (Química)
Ring formation (Chemistry)
The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
NO
ORIGINAL
Frozen-Cage-Model.pdf
Frozen-Cage-Model.pdf
application/pdf
562916
https://dugi-doc.udg.edu/bitstream/10256/7128/1/Frozen-Cage-Model.pdf
0a97b6a4c269ac438c4c1cd25e57e157
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7128/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Frozen-Cage-Model.pdf.jpg
Frozen-Cage-Model.pdf.jpg
Generated Thumbnail
image/jpeg
3539
https://dugi-doc.udg.edu/bitstream/10256/7128/3/Frozen-Cage-Model.pdf.jpg
d8365b1cf45c3bf1e822e3c4725625b7
MD5
3
10256/7128
oai:dugi-doc.udg.edu:10256/7128
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
Q29uZGljaW9ucyBkZWwgZGlww7JzaXQKCgpQZXIgcG9kZXIgcHVibGljYXIgZWwgZG9jdW1lbnQgYWwgRFVHaSBlbnMgY2FsIHVuYSBhdXRvcml0emFjacOzIHZvc3RyYSBwZXIgZGlmb25kcmUsIHB1YmxpY2FyIG8gY29tdW5pY2FyIGVsIHRleHQgZW4gbGVzIGNvbmRpY2lvbnMgc2Vnw7xlbnRzOgoKCi0gQXV0b3JpdHpvIGEgbGEgVW5pdmVyc2l0YXQgZGUgR2lyb25hIGEgZGlmb25kcmUsIHB1YmxpY2FyIG8gY29tdW5pY2FyIGVscyBkb2N1bWVudHMsIGRlIGZvcm1hIMOtbnRlZ3JhIG8gcGFyY2lhbCwgc2Vuc2Ugb2J0ZW5pciBjYXAgYmVuZWZpY2kgY29tZXJjaWFsLCDDum5pY2FtZW50IGFtYiBmaW5hbGl0YXRzIGRlIHJlY2VyY2EgaSBzdXBvcnQgbyBpbOKAomx1c3RyYWNpw7MgZGUgbGEgZG9jw6huY2lhLCBtaXRqYW7Dp2FudCBsYSBpbmNvcnBvcmFjacOzIGRlbHMgZG9jdW1lbnRzIGEgdW5hIGJhc2UgZGUgZGFkZXMgZWxlY3Ryw7JuaWNhIGTigJlhY2PDqXMgb2JlcnQuCgoKUGVyIGEgYXF1ZXN0ZXMgZmluYWxpdGF0cyBjZWRlaXhvIGRlIGZvcm1hIG5vIGV4Y2x1c2l2YSwgc2Vuc2UgbMOtbWl0IHRlbXBvcmFsIG5pIHRlcnJpdG9yaWFsLCBlbHMgZHJldHMgZOKAmWV4cGxvdGFjacOzIHF1ZSBlbSBjb3JyZXNwb25lbiBjb20gYSBhdXRvci9hLgoKCi0gQXV0b3JpdHpvIGEgbGEgVW5pdmVyc2l0YXQgZGUgR2lyb25hIGxhIGPDsnBpYSBkZWxzIGRvY3VtZW50cyBlbiB1biBhbHRyZSBzdXBvcnQsIGFkYXB0YXItbG9zIG8gdHJhbnNmb3JtYXItbG9zIGFtYiBmaW5hbGl0YXRzIGRlIGNvbnNlcnZhY2nDsyBvIGRpZnVzacOzLCBpIGzigJlhY29yZCBhbWIgdGVyY2VyZXMgcGVyc29uZXMgcGVyIHJlYWxpdHphciBhcXVlc3RhIGNvbnNlcnZhY2nDsyBpIGRpZnVzacOzIHJlc3BlY3RhbnQgbGEgY2Vzc2nDsyBkZSBkcmV0cyBxdWUgYXJhIGVmZWN0dW8uCgoKLSBFbSByZXNlcnZvIGxhIHJlc3RhIGRlIGRyZXRzIGFscyBxdWFscyBubyBlcyBmYSByZWZlcsOobmNpYSBlbiBlbCBwcmVzZW50IGRvY3VtZW50LgoKCkxhIFVkRyBhZ3JhZWl4IGxhIHZvc3RyYSBjb2zigKJsYWJvcmFjacOzLgo=
oai:dugi-doc.udg.edu:10256/71292024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Casitas Montero, Alícia
Canta i Roldós, Mercè
Solà i Puig, Miquel
Costas Salgueiro, Miquel
Ribas Salamaña, Xavi
Ministerio de Ciencia e Innovación (Espanya)
Ministerio de Educación y Ciencia (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2012-10-10T10:43:09Z
2012-10-10T10:43:09Z
2011
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
http://hdl.handle.net/10256/7129
http://dx.doi.org/10.1021/ja2058567
015426
1520-5126
Copper-catalyzed halide exchange reactions under very mild reaction conditions are described for the first time using a family of model aryl halide substrates. All combinations of halide exchange (I, Br, Cl, F) are observed using catalytic amounts of CuI. Strikingly, quantitative fluorination of aryl–X substrates is also achieved catalytically at room temperature, using common F– sources, via the intermediacy of aryl–CuIII–X species. Experimental and computational data support a redox CuI/CuIII catalytic cycle involving aryl–X oxidative addition at the CuI center, followed by halide exchange and reductive elimination steps. Additionally, defluorination of the aryl–F model system can be also achieved with CuI at room temperature operating under a CuI/CuIII redox pai
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2012-10-10T10:42:34Z
No. of bitstreams: 1
Nucleophilic-Aryl.pdf: 869534 bytes, checksum: 182fc5f18f7690b193a08c571674162a (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2012-10-10T10:42:53Z (GMT) No. of bitstreams: 1
Nucleophilic-Aryl.pdf: 869534 bytes, checksum: 182fc5f18f7690b193a08c571674162a (MD5)
Made available in DSpace on 2012-10-10T10:43:09Z (GMT). No. of bitstreams: 1
Nucleophilic-Aryl.pdf: 869534 bytes, checksum: 182fc5f18f7690b193a08c571674162a (MD5)
We thank Prof. S. S. Stahl (Univ. of Wisconsin, Madison, WI) for fruitful comments and for early experiments conducted by A.C. in Stahl's lab. We acknowledge financial support from MICINN of Spain (CTQ2009-08464/BQU to M.C., CTQ2008-03077/BQU and CTQ2011-23156/BQU to M.S., Consolider-Ingenio CSD2010-00065, and Ph.D. grant to A.C.), European Research Council for Project ERC-2011-StG-277801 and the Catalan DIUE of the Generalitat de Catalunya (2009SGR637 to M.S., and a Ph.D. grant to M. Canta). X.R, MC., and MS. thank ICREA-Academia awards. We thank STR's from UdG for technical support, and we also acknowledge the Centre de Serveis Cientifics i Academics de Catalunya (CESCA) for partial funding of computer time
application/pdf
eng
American Chemical Society
MICINN/PN 2010-2012/CTQ2009-08464
info:eu-repo/grantAgreement/MICINN//CTQ2011-23156/ES/AVANCES EN CATALISIS Y AROMATICIDAD/
info:eu-repo/grantAgreement/MICINN//CTQ2008-03077/ES/CLUSTERES METALICOS Y SEMIMETALICOS. ESTUDIOS DE AROMATICIDAD Y REACTIVIDAD/
MICINN/PN 2010-2016/CSD2010-00065
AGAUR/2009-2014/2009 SGR-637
Reproducció digital del document publicat a: http://dx.doi.org/10.1021/ja2058567
© Journal of the American Chemical Society, 2011, vol. 133, núm. 48, p. 1386-1392
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/277801/EU/Sustainable C-X and C-H Functionalization Catalyzed by Copper(III) Species/SUSCATCU3
FP7
-1
SUSCATCU3
-1
CLUSTERES METALICOS Y SEMIMETALICOS. ESTUDIOS DE AROMATICIDAD Y REACTIVIDAD
AVANCES EN CATALISIS Y AROMATICIDAD
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Reaccions químiques
Chemical reactions
Reaccions nucleofíliques
Nucleophilic reactions
Nucleophilic Aryl Fluorination and Aryl Halide Exchange Mediated by a CuI/CuIII Catalytic Cycle
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
NO
ORIGINAL
Nucleophilic-Aryl.pdf
Nucleophilic-Aryl.pdf
application/pdf
869534
https://dugi-doc.udg.edu/bitstream/10256/7129/1/Nucleophilic-Aryl.pdf
182fc5f18f7690b193a08c571674162a
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7129/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Nucleophilic-Aryl.pdf.jpg
Nucleophilic-Aryl.pdf.jpg
Generated Thumbnail
image/jpeg
3370
https://dugi-doc.udg.edu/bitstream/10256/7129/3/Nucleophilic-Aryl.pdf.jpg
eedb25feb3e8269d02ee4c419b3f7a0a
MD5
3
10256/7129
oai:dugi-doc.udg.edu:10256/7129
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/71302024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Osuna Oliveras, Sílvia
Swart, Marcel
Solà i Puig, Miquel
Ministerio de Educación y Ciencia (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2012-10-10T10:56:48Z
2012-10-10T10:56:48Z
2011
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
http://hdl.handle.net/10256/7130
http://dx.doi.org/10.1021/jp1091575
014491
1520-5215
In a previous paper (J. Phys. Chem. A2009, 113, 9721), we analyzed theoretically the Diels−Alder cycloaddition between cyclopentadiene and C60 for which experimental results on energy barriers and reaction energies are known. One of the main conclusions reached was that the two-layered ONIOM2(B3LYP/6-31G(d):SVWN/STO-3G) method provides results very close to the full B3LYP/6-31G(d) ones. Unfortunately, however, both the exothermicity of the reaction and the energy barrier were clearly overestimated by these two methods. In the present work, we analyze the effect of the inclusion of Grimme’s dispersion corrections in the energy profile of this reaction. Our results show that these corrections are essential to get results close to the experimental values. In addition, we have performed calculations both with and without dispersion corrections for the Diels−Alder reaction of C60 and several dienes and for the Diels−Alder cycloaddition of a (5,5) single-walled carbon nanotube and 1,3-cis-butadiene. The results obtained indicate that inclusion of dispersion corrections is compulsory for the study of the chemical reactivity of fullerenes and nanotube
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2012-10-10T10:56:10Z
No. of bitstreams: 1
Dispersion-Corrections.pdf: 939182 bytes, checksum: 649be45bcd5dfe8386cabe9f4e263159 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2012-10-10T10:56:30Z (GMT) No. of bitstreams: 1
Dispersion-Corrections.pdf: 939182 bytes, checksum: 649be45bcd5dfe8386cabe9f4e263159 (MD5)
Made available in DSpace on 2012-10-10T10:56:48Z (GMT). No. of bitstreams: 1
Dispersion-Corrections.pdf: 939182 bytes, checksum: 649be45bcd5dfe8386cabe9f4e263159 (MD5)
The following organizations are thanked for financial support: the Ministerio de Ciencia e Innovacion (MICINN, Project nos. CTQ2008-03077/BQU and CTQ2008-06532/BQU), the DIUE of the Generalitat de Catalunya (Project nos. 2009SGR637 and 2009SG R528), and the European Community (postdoctoral fellowship PIOF-GA-2009-252856). Excellent service by the Centre de Supercomputacio de Catalunya (CESCA) is gratefully acknowledged. The authors also are grateful for the computer resources, technical expertise, and assistance provided by the Barcelona Supercomputing Center-Centro Nacional de Supercomputacion. Support for the research of M. Sola was received through the ICREA Academia 2009 prize for excellence in research funded by the DIUE of the Generalitat de Catalunya. We thank Dr. Caries Curutchet for locally adapting the Gaussian 09, revision A.02 program and Prof. Dr. Per E. M. Siegbahn for providing us with a copy of ref 25
application/pdf
eng
info:eu-repo/grantAgreement/MICINN//CTQ2008-03077/ES/CLUSTERES METALICOS Y SEMIMETALICOS. ESTUDIOS DE AROMATICIDAD Y REACTIVIDAD/
info:eu-repo/grantAgreement/MICINN//CTQ2008-06532/ES/REACTIVIDAD Y ENLACE QUIMICO EN BIOMEDICINA Y QUIMICA (BIO)INORGANICA/
AGAUR/2009-2014/2009 SGR-637
AGAUR/2009-2014/2009 SGR-528
Reproducció digital del document publicat a: http://dx.doi.org/10.1021/jp1091575
© Journal of Physical Chemistry A, 2011, vol. 115, núm. 15, p. 3496-3496
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/252856/EU/Enzyme Design of Medical Interest/MEDENZYMEDESIGN
FP7
-1
MEDENZYMEDESIGN
-1
REACTIVIDAD Y ENLACE QUIMICO EN BIOMEDICINA Y QUIMICA (BIO)INORGANICA
CLUSTERES METALICOS Y SEMIMETALICOS. ESTUDIOS DE AROMATICIDAD Y REACTIVIDAD
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Ful·lerens -- Reactivitat
Fullerenes -- Reactivity
Reaccions químiques
Chemical reactions
Diels-Alder, Reacció de
Dispersion Corrections Essential for the Study of Chemical Reactivity in Fullerenes
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
NO
ORIGINAL
Dispersion-Corrections.pdf
Dispersion-Corrections.pdf
application/pdf
939182
https://dugi-doc.udg.edu/bitstream/10256/7130/1/Dispersion-Corrections.pdf
649be45bcd5dfe8386cabe9f4e263159
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7130/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Dispersion-Corrections.pdf.jpg
Dispersion-Corrections.pdf.jpg
Generated Thumbnail
image/jpeg
3330
https://dugi-doc.udg.edu/bitstream/10256/7130/3/Dispersion-Corrections.pdf.jpg
f57b204efc45e7bd369e5137ecb799f0
MD5
3
10256/7130
oai:dugi-doc.udg.edu:10256/7130
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/71322017-10-10T14:17:35Zcom_10256_1517com_10256_2943col_10256_1536col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Cebrian Pujol, Emma
Rodríguez Prieto, Concepció
Ministerio de Ciencia y Tecnología (Espanya)
2012-10-10T12:12:09Z
2012-10-10T12:12:09Z
2012
http://hdl.handle.net/10256/7132
http://dx.doi.org/10.1371/journal.pone.0031135
1932-6203
The tropical red alga Womersleyella setacea (Rhodomelaceae, Rhodophyta) is causing increasing concern in the Mediterranean Sea because of its invasive behavior. After its introduction it has colonized most Mediterranean areas, but the mechanism underlying its acclimatization and invasion process remains unknown. To understand this process, we decided i) to assess in situ the seasonal biomass and phenological patterns of populations inhabiting the Mediterranean Sea in relation to the main environmental factors, and ii) to experimentally determine if the tolerance of W. setacea to different light and temperature conditions can explain its colonization success, as well as its bathymetric distribution range. The bathymetric distribution, biomass, and phenology of W. setacea were studied at two localities, and related to irradiance and temperature values recorded in situ. Laboratory experiments were set up to study survival, growth and reproduction under contrasting light and temperature conditions in the short, mid, and long term.Results showed that, in the studied area, the bathymetric distribution of W. setacea is restricted to a depth belt between 25 and 40 m deep, reaching maximum biomass values (126 g dw m−2) at 30 m depth. In concordance, although in the short term W. setacea survived and grew in a large range of environmental conditions, its life requirements for the mid and long term were dim light levels and low temperatures. Biomass of Womersleyella setacea did not show any clear seasonal pattern, though minimum values were reported in spring. Reproductive structures were always absent. Bearing in mind that no herbivores feed on Womersleyella setacea and that its thermal preferences are more characteristic of temperate than of tropical seaweeds, low light (50 µmol photon m−2 s−1) and low temperature (12°C) levels are critical for W. setacea survival and growth, thus probably determining its spread and bathymetric distribution across the Mediterranean Sea
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2012-10-10T12:11:51Z
No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
Marine-Invasion-Mediterranean.pdf: 392461 bytes, checksum: 759a8394a64fa19c1d3fc882cb95f17e (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2012-10-10T12:12:09Z (GMT) No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
Marine-Invasion-Mediterranean.pdf: 392461 bytes, checksum: 759a8394a64fa19c1d3fc882cb95f17e (MD5)
Made available in DSpace on 2012-10-10T12:12:09Z (GMT). No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
Marine-Invasion-Mediterranean.pdf: 392461 bytes, checksum: 759a8394a64fa19c1d3fc882cb95f17e (MD5)
This work was supported by an European Union reintegration grant (ERG-2009-248252) and a grant from the Spanish Ministry of Science and Innovation (CGL2004-05556-C02-01). Dr. Cebrian was funded by a Juan de la Cierva program (JCI-2008-02753) of the Spanish Science and Innovation Ministry
application/pdf
eng
Public Library of Science
MICYT/PN 2004-2007/CGL2004-05556-C02-01
Reproducció digital del document publicat a: http://dx.doi.org/10.1371/journal.pone.0031135
PLoS ONE, 2012, vol. 7, núm. 2, p. e31135
Articles publicats (D-CCAA)
info:eu-repo/grantAgreement/EC/FP7/248252/EU/Effects of global warming and alien species invasions on high diverse communities of NW Mediterranean Sea./CORALCHANGE
FP7
-1
CORALCHANGE
-1
Attribution 3.0 Spain
http://creativecommons.org/licenses/by/3.0/es/
info:eu-repo/semantics/openAccess
Algues vermelles -- Mediterrània, Mar
Plantes invasores -- Mediterrània, Mar
Invasions biològiques -- Mediterrània, Mar
Red algae -- Mediterranean Sea
Invasive plants -- Mediterranean Sea
Biological invasions -- Mediterranean Sea
Marine Invasion in the Mediterranean Sea: The Role of Abiotic Factors When There Is No Biological Resistance
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
rc1
ORIGINAL
Marine-Invasion-Mediterranean.pdf
Marine-Invasion-Mediterranean.pdf
application/pdf
392461
https://dugi-doc.udg.edu/bitstream/10256/7132/1/Marine-Invasion-Mediterranean.pdf
759a8394a64fa19c1d3fc882cb95f17e
MD5
1
CC-LICENSE
license_rdf
license_rdf
application/rdf+xml; charset=utf-8
1370
https://dugi-doc.udg.edu/bitstream/10256/7132/2/license_rdf
ac86fe33011bda956ed9b032abf4d402
MD5
2
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7132/3/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
3
THUMBNAIL
Marine-Invasion-Mediterranean.pdf.jpg
Marine-Invasion-Mediterranean.pdf.jpg
Generated Thumbnail
image/jpeg
3545
https://dugi-doc.udg.edu/bitstream/10256/7132/4/Marine-Invasion-Mediterranean.pdf.jpg
dda1e0135d50006f0f7676ba5c60f616
MD5
4
10256/7132
oai:dugi-doc.udg.edu:10256/7132
2017-10-10 16:17:35.563
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/71362024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Costas Salgueiro, Miquel
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2012-10-15T08:24:34Z
2012-10-15T08:24:34Z
2011
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
0010-8545
http://hdl.handle.net/10256/7136
http://dx.doi.org/10.1016/j.ccr.2011.06.026
Selective oxidation of saturated C–H bonds remains a challenge in modern chemistry. The inert nature of such bonds requires the use of highly reactive reagents, and this poses major challenges in terms of chemo, regio and stereoselectivity. Metalloporphyrins based in iron, manganese and ruthenium constitute a unique family of catalysts capable of generating these highly reactive, but at the same time highly selective oxidants, thus exquisitely mediating selective oxidations of C–H bonds. The mechanisms underlying these reactions are collected and discussed in the present work. Recent advances in the application of these catalysts in the oxidation of complex organic molecules are also reviewed
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2012-10-15T08:23:04Z
No. of bitstreams: 1
Selective-C–H.pdf: 1663097 bytes, checksum: 180fb063a829f1fe6197ab77628caf27 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2012-10-15T08:23:26Z (GMT) No. of bitstreams: 1
Selective-C–H.pdf: 1663097 bytes, checksum: 180fb063a829f1fe6197ab77628caf27 (MD5)
Made available in DSpace on 2012-10-15T08:24:34Z (GMT). No. of bitstreams: 1
Selective-C–H.pdf: 1663097 bytes, checksum: 180fb063a829f1fe6197ab77628caf27 (MD5)
Financial support for this work was provided by MEC-Spain (Project CTQ2009-08464), Generalitat de Catalunya (2009SGR637), and European Research Council for project ERC-2009-StG-239910. M.C. acknowledges an ICREA-Academia Award. Anna Company, Laura Gomez and Dr Julio Lloret are acknowledged by a critical reading of the manuscript
application/pdf
eng
MICINN/PN 2010-2012/CTQ2009-08464
AGAUR/2009-2014/2009 SGR-637
Reproducció digital del document publicat a: http://dx.doi.org/10.1016/j.ccr.2011.06.026
© Coordination Chemistry Reviews, 2011, vol. 255, Inúm. 23–24, p 2912–2932
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/239910/EU/Bio-inspired Design of Catalysts for Selective Oxidations of C-H and C=C Bonds/BIDECASEOX
FP7
-1
BIDECASEOX
-1
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Reaccions químiques
Chemical reactions
Oxidació
Oxidation
Catalitzadors metàl·lics
Metal catalysts
Selective C–H oxidation catalyzed by metalloporphyrins
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
NO
ORIGINAL
Selective-C–H.pdf
Selective-C–H.pdf
application/pdf
1663097
https://dugi-doc.udg.edu/bitstream/10256/7136/1/Selective-C%E2%80%93H.pdf
180fb063a829f1fe6197ab77628caf27
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7136/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Selective-C–H.pdf.jpg
Selective-C–H.pdf.jpg
Generated Thumbnail
image/jpeg
2686
https://dugi-doc.udg.edu/bitstream/10256/7136/3/Selective-C%E2%80%93H.pdf.jpg
786248b190a046b8504d2bdb275ccf3a
MD5
3
10256/7136
oai:dugi-doc.udg.edu:10256/7136
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/71382021-07-01T10:18:18Zcom_10256_2943com_10256_1528com_10256_4398col_10256_8010col_10256_1553col_10256_7137col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Mas Baixeras, Albert
Martín Campos, Ignacio
Patow, Gustavo
Ministerio de Educación y Ciencia (Espanya)
2012-10-15T10:10:02Z
2012-10-15T10:10:02Z
2009
http://hdl.handle.net/10256/7138
http://dx.doi.org/10.1111/j.1467-8659.2009.01430.x
012127
1467-8659
This paper presents a new inverse reflector design method using a GPU-based computation of outgoing light distribution from reflectors. We propose a fast method to obtain the outgoing light distribution of a parametrized reflector, and then compare it with the desired illumination. The new method works completely in the GPU. We trace millions of rays using a hierarchical height-field representation of the reflector. Multiple reflections are taken into account. The parameters that define the reflector shape are optimized in an iterative procedure in order for the resulting light distribution to be as close as possible to the desired, user-provided one. We show that our method can calculate reflector lighting at least one order of magnitude faster than previous methods, even with millions of rays, complex geometries and light sources
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2012-10-15T10:06:55Z
No. of bitstreams: 1
Fast-Inverse.pdf: 2604793 bytes, checksum: 98e238d3edd9629fa967356d6e6bf4d4 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2012-10-15T10:10:02Z (GMT) No. of bitstreams: 1
Fast-Inverse.pdf: 2604793 bytes, checksum: 98e238d3edd9629fa967356d6e6bf4d4 (MD5)
Made available in DSpace on 2012-10-15T10:10:02Z (GMT). No. of bitstreams: 1
Fast-Inverse.pdf: 2604793 bytes, checksum: 98e238d3edd9629fa967356d6e6bf4d4 (MD5)
This work was done under grant TIN2007-67120 from the Spanish Government, and under grant 7th Framework Programme-Capacities (grant No 222550, project EcoStreetLight) from the UE
application/pdf
eng
Wiley
info:eu-repo/grantAgreement/MEC//TIN2007-67120/ES/CAD BASADO EN EL MODELADO Y LA SIMULACION DEL TRANSPORTE DE LUZ/
Versió postprint del document publicat a: http://dx.doi.org/10.1111/j.1467-8659.2009.01430.x
© Computer Graphics Forum, 2009, vol. 28, núm. 8, p.2046–2056
Articles publicats (IIIA)
info:eu-repo/grantAgreement/EC/FP7/222550/EU/Development of 25% more energy efficient street lights with integrated reflector, elimination of protection glass, optimized arc tube and improved luminaire design./ECOSTREETLIGHT
FP7
-1
ECOSTREETLIGHT
-1
CAD BASADO EN EL MODELADO Y LA SIMULACION DEL TRANSPORTE DE LUZ
Tots els drets reservats
info:eu-repo/semantics/openAccess
Llums -- Disseny assistit per ordinador
Lamps -- Computer-aided design
Optimització matemàtica
Mathematical optimization
Fast Inverse Reflector Design (FIRD)
info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
rc1
ORIGINAL
Fast-Inverse.pdf
Fast-Inverse.pdf
application/pdf
2604793
https://dugi-doc.udg.edu/bitstream/10256/7138/1/Fast-Inverse.pdf
98e238d3edd9629fa967356d6e6bf4d4
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7138/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Fast-Inverse.pdf.jpg
Fast-Inverse.pdf.jpg
Generated Thumbnail
image/jpeg
2170
https://dugi-doc.udg.edu/bitstream/10256/7138/3/Fast-Inverse.pdf.jpg
8008a51d5e18ee1bea71c155c8e43f9f
MD5
3
10256/7138
oai:dugi-doc.udg.edu:10256/7138
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/71452021-07-01T10:18:18Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Cioslowski, Jerzy
Strasburger, Krzysztof
Matito i Gras, Eduard
Ministerio de Ciencia e Innovación (Espanya)
2012-10-17T13:03:42Z
2013-10-18T03:00:09Z
2012
info:eu-repo/date/embargoEnd/2013-05-21
0021-9606
http://hdl.handle.net/10256/7145
http://dx.doi.org/10.1063/1.4717461
1089-7690
Calculations of sub-μhartree accuracy employing explicitly correlated Gaussian lobe functions produce comprehensive data on the energy E(ω), its components, and the one-electron properties of the two lowest-energy states of the three-electron harmonium atom. The energy computations at 19 values of the confinement strength ω ranging from 0.001 to 1000.0, used in conjunction with a recently proposed robust interpolation scheme, yield explicit approximants capable of estimating E(ω) and the potential energy of the harmonic confinement within a few tenths of μhartree for any ω ⩾ 0.001, the respective errors for the kinetic energy and the potential energy of the electron-electron repulsion not exceeding 2 μhartrees. Thanks to the correct ω → 0 asymptotics incorporated into the approximants, comparable accuracy is expected for values of ω smaller than 0.001. Occupation numbers of the dominant natural spinorbitals and two different measures of electron correlation are also computed
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2012-10-17T13:02:59Z
No. of bitstreams: 1
three-electron.pdf: 519044 bytes, checksum: 74601ebffa817dab9b9c12979af06dfb (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2012-10-17T13:03:19Z (GMT) No. of bitstreams: 1
three-electron.pdf: 519044 bytes, checksum: 74601ebffa817dab9b9c12979af06dfb (MD5)
Made available in DSpace on 2012-10-17T13:03:42Z (GMT). No. of bitstreams: 1
three-electron.pdf: 519044 bytes, checksum: 74601ebffa817dab9b9c12979af06dfb (MD5)
The work of one of the authors (K. S.) has been financed by the statutory activity subsidy from the Polish Ministry of Science and Higher Education to the Faculty of Chemistry of Wroclaw University of Technology ("Experimental and theoretical studies of molecular systems and nanostructures," contract no. S10088). Another author (E. M.) acknowledges financial support from the Marie Curie IntraEuropean Fellowship (grant agreement PIEF-GA-2008-221734), the Career Integration Grant (grant agreement PCIG09-GA-2011-294240), and the Spanish MICINN (project no. CTQ2011-23156/BQU). Calculations reported in this paper have been carried out at the Wroclaw Centre for Networking and Supercomputing (http://www.wcss.wroc.p1) and on the MareNostrum supercomputer of the Barcelona Supercomputing Center. The authors thankfully acknowledge computer resources, technical expertise, and assistance provided by the staff of the latter institution
application/pdf
eng
American Institute of Physics
info:eu-repo/grantAgreement/MICINN//CTQ2011-23156/ES/AVANCES EN CATALISIS Y AROMATICIDAD/
Reproducció digital del document publicat a: http://dx.doi.org/10.1063/1.4717461
© Journal of Chemical Physics, 2012, vol. 136, núm. 19, p. 194112
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/294240/EU/Development of new non-empirical DFT functionals./NEWDFTFUNCT
info:eu-repo/grantAgreement/EC/FP7/221734/EU/Many-Electron Wigner Molecules: 3-D quantum dots./3DQDOTS
FP7
-1
FP7
-1
3DQDOTS
-1
NEWDFTFUNCT
-1
AVANCES EN CATALISIS Y AROMATICIDAD
Tots els drets reservats
info:eu-repo/semantics/openAccess
Química quàntica
Quantum chemistry
The three-electron harmonium atom: The lowest-energy doublet and quadruplet states
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
12 mesos
rc1
ORIGINAL
three-electron.pdf
three-electron.pdf
application/pdf
519044
https://dugi-doc.udg.edu/bitstream/10256/7145/1/three-electron.pdf
74601ebffa817dab9b9c12979af06dfb
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7145/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
three-electron.pdf.jpg
three-electron.pdf.jpg
Generated Thumbnail
image/jpeg
2475
https://dugi-doc.udg.edu/bitstream/10256/7145/3/three-electron.pdf.jpg
3653734b8d8d046a81205dd8a03d7c6f
MD5
3
10256/7145
oai:dugi-doc.udg.edu:10256/7145
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/71462024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Lloret Fillol, Julio
Codolà Duch, Zoel
Garcia Bosch, Isaac
Gómez Martín, Laura
Pla, Juan José
Costas Salgueiro, Miquel
Ministerio de Ciencia e Innovación (Espanya)
2012-10-18T07:07:14Z
2012-10-18T07:07:14Z
2011
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
1755-4330
http://hdl.handle.net/10256/7146
http://dx.doi.org/10.1038/nchem.1140
1755-4349
Water oxidation catalysis constitutes the bottleneck for the development of energy-conversion schemes based on sunlight. To date, state-of-the-art homogeneous water oxidation catalysis is performed efficiently with expensive, toxic and earth-scarce transition metals, but 3d metal-based catalysts are much less established. Here we show that readily available, environmentally benign iron coordination complexes catalyse homogeneous water oxidation to give O2, with high efficiency during a period of hours. Turnover numbers >350 and >1,000 were obtained using cerium ammonium nitrate at pH 1 and sodium periodate at pH 2, respectively. Spectroscopic monitoring of the catalytic reactions, in combination with kinetic studies, show that high valent oxo-iron species are responsible for the O–O forming event. A systematic study of iron complexes that contain a broad family of neutral tetradentate organic ligands identifies first-principle structural features to sustain water oxidation catalysis. Iron-based catalysts described herein open a novel strategy that could eventually enable sustainable artificial photosynthetic schemes
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2012-10-18T07:06:16Z
No. of bitstreams: 1
Efficient-water-oxidation.pdf: 1754275 bytes, checksum: 1212e63792207032c5ac73a063d0f91e (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2012-10-18T07:06:53Z (GMT) No. of bitstreams: 1
Efficient-water-oxidation.pdf: 1754275 bytes, checksum: 1212e63792207032c5ac73a063d0f91e (MD5)
Made available in DSpace on 2012-10-18T07:07:14Z (GMT). No. of bitstreams: 1
Efficient-water-oxidation.pdf: 1754275 bytes, checksum: 1212e63792207032c5ac73a063d0f91e (MD5)
We thank R. Hage, X. Ribas and P. Lahuerta for reading this work and for comments. We thank the European Research Foundation for project FP7-PEOPLE-2010-ERG-268445 (J.Ll.), El Ministerio de Ciencia e Innovacion for project CTQ2009-08464 (M. C.), for a Ramon y Cajal contract (J.Ll.) and for a PhD grant (I. G-B.), Generalitat de Catalunya for an ICREA Academia Award and the European Research Council for Project ERC-2009-StG-239910 (M. C.)
application/pdf
eng
Macmillan Publishers
MICINN/PN 2010-2012/CTQ2009-08464
Reproducció digital del document publicat a: http://dx.doi.org/10.1038/nchem.1140
© Nature Chemistry, 2011, núm. 3, p. 807–813
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/268445/EU/Modular Ligands for Water Splitting/WATERSPLIT
info:eu-repo/grantAgreement/EC/FP7/239910/EU/Bio-inspired Design of Catalysts for Selective Oxidations of C-H and C=C Bonds/BIDECASEOX
FP7
-1
FP7
-1
BIDECASEOX
-1
WATERSPLIT
-1
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Ferro -- Compostos
Iron compounds
Catàlisi homogènia
Homogeneous catalysis
Oxidació
Oxidation
Efficient water oxidation catalysts based on readily available iron coordination complexes
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
NO
ORIGINAL
Efficient-water-oxidation.pdf
Efficient-water-oxidation.pdf
application/pdf
1754275
https://dugi-doc.udg.edu/bitstream/10256/7146/1/Efficient-water-oxidation.pdf
1212e63792207032c5ac73a063d0f91e
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7146/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Efficient-water-oxidation.pdf.jpg
Efficient-water-oxidation.pdf.jpg
Generated Thumbnail
image/jpeg
3843
https://dugi-doc.udg.edu/bitstream/10256/7146/3/Efficient-water-oxidation.pdf.jpg
1fc7ad492fd8f72d4506649755d3a5b2
MD5
3
10256/7146
oai:dugi-doc.udg.edu:10256/7146
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/71472019-07-10T08:05:45Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Prat Casellas, Irene
Mathieson, Jennifer S.
Güell Serra, Mireia
Ribas Salamaña, Xavi
Luis Luis, Josep Maria
Cronin, Leroy
Costas Salgueiro, Miquel
Ministerio de Ciencia e Innovación (Espanya)
2012-10-18T07:20:56Z
2012-10-18T07:20:56Z
2011-09-04
1755-4330
http://hdl.handle.net/10256/7147
http://dx.doi.org/10.1038/nchem.1132
1755-4349
Oxo-transfer chemistry mediated by iron underpins many biological processes and today is emerging as synthetically very important for the catalytic oxidation of C–H and C=C moieties that are hard to activate conventionally. Despite the vast amount of research in this area, experimental characterization of the reactive species under catalytic conditions is very limited, although a Fe(V)=O moiety was postulated. Here we show, using variable-temperature mass spectrometry, the generation of a Fe(V)=O species within a synthetic non-haem complex at −40 °C and its reaction with an olefin. Also, with isotopic labelling we were able both to follow oxygen-atom transfer from H2O2/H2O through Fe(V)=O to the products and to probe the reactivity as a function of temperature. This study pioneers the implementation of variable-temperature mass spectrometry to investigate reactive intermediates
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2012-10-18T07:20:23Z
No. of bitstreams: 1
Observation-of-Fe.pdf: 629473 bytes, checksum: c16d4f661e87e0ccc62723f1f7dfa148 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2012-10-18T07:20:41Z (GMT) No. of bitstreams: 1
Observation-of-Fe.pdf: 629473 bytes, checksum: c16d4f661e87e0ccc62723f1f7dfa148 (MD5)
Made available in DSpace on 2012-10-18T07:20:56Z (GMT). No. of bitstreams: 1
Observation-of-Fe.pdf: 629473 bytes, checksum: c16d4f661e87e0ccc62723f1f7dfa148 (MD5)
We thank the Engineering and Physical Sciences Research Council and WestCHEM for funding, and Bruker Daltonics for collaboration. L. C. thanks the Royal Society and Wolfson Research for a merit award. M. C. and X. R. thank the Ministerio de Ciencia e Innovacion (MICINN) for Project CTQ2009-08464, and Generalitat de Catalunya for Institucio Catalana de Recerca i Estudis Avancats Academia Awards. M. C. thanks the European Research Foundation for Project ERC-2009-StG-239910. I. P. thanks MICINN for a PhD grant. L. C. and M. C. thank COST Action D40
application/pdf
eng
MICINN/PN 2010-2012/CTQ2009-08464
Versió postprint del document publicat a: http://dx.doi.org/10.1038/nchem.1132
© Nature Chemistry, 2011, núm. 3, p. 788–793
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/239910/EU/Bio-inspired Design of Catalysts for Selective Oxidations of C-H and C=C Bonds/BIDECASEOX
FP7
-1
BIDECASEOX
-1
Tots els drets reservats
info:eu-repo/semantics/openAccess
Ferro -- Compostos
Iron compounds
Catàlisi homogènia
Homogeneous catalysis
Oxidació
Oxidation
Observation of Fe(V)=O using variable-temperature mass spectrometry and its enzyme-like C–H and C=C oxidation reactions
info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
peer-reviewed
rc1
ORIGINAL
Postprint-ObservationFe.pdf
Postprint-ObservationFe.pdf
application/pdf
450920
https://dugi-doc.udg.edu/bitstream/10256/7147/3/Postprint-ObservationFe.pdf
a857e5a8f3cffbdfefbeee4cccb96e5d
MD5
3
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7147/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
10256/7147
oai:dugi-doc.udg.edu:10256/7147
2019-07-10 10:05:45.85
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/71482024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Osuna Oliveras, Sílvia
Swart, Marcel
Solà i Puig, Miquel
Ministerio de Educación y Ciencia (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2012-10-18T07:49:26Z
2012-10-18T07:49:26Z
2011
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
1463-9076
http://hdl.handle.net/10256/7148
http://dx.doi.org/10.1039/C0CP01594F
1463-9084
The last two decades have witnessed major advances in the synthesis and characterization of endohedral fullerenes . These species have interesting physicochemical properties with many potential interesting applications in the fields of magnetism, superconductivity, nonlinear optical properties, radioimmunotherapy, and magnetic resonance imaging contrast agents, among others. In addition to the synthesis and characterization, the chemical functionalization of these species has been a main focus of research for at least four reasons: first, to help characterize endohedral fullerenes that could not be well described structurally otherwise; second, to generate materials with fine-tuned properties leading to enhanced functionality in one of their multiple potential applications; third, to produce water-soluble endohedral fullerenes needed for their use in medicinal sciences; and fourth, to generate electron donor –acceptor conjugates that can be used in solar energy conversion/storage . The functionalization of these species has been achieved through different types of reactions, the most common being the Diels–Alder reactions, 1,3-dipolar cycloadditions , Bingel–Hirsch reactions, and free-radical reactions. It has been found that the performance of these reactions in endohedral fullerenes may be quite different from that of the empty fullerenes . Indeed, encapsulated species have a large influence on the thermodynamics, kinetics, and regiochemistry of these reactions. A detailed understanding of the changes in chemical reactivity due to incarceration of atoms or clusters of atoms is essential to assist the synthesis of new functionalized endohedral fullerenes with specific properties. This Perspective seeks to highlight the key role played by computational chemistry in the analysis of the chemical reactivity of these systems. It is shown that the information obtained through calculations is highly valuable in the process of designing new materials based on endohedral fullerenes
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2012-10-18T07:48:55Z
No. of bitstreams: 1
reactivity-endohedral.pdf: 4547654 bytes, checksum: 88b3de68fffc82d59268a94137e24bcd (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2012-10-18T07:49:11Z (GMT) No. of bitstreams: 1
reactivity-endohedral.pdf: 4547654 bytes, checksum: 88b3de68fffc82d59268a94137e24bcd (MD5)
Made available in DSpace on 2012-10-18T07:49:26Z (GMT). No. of bitstreams: 1
reactivity-endohedral.pdf: 4547654 bytes, checksum: 88b3de68fffc82d59268a94137e24bcd (MD5)
The following organizations are thanked for financial support: the Ministerio de Ciencia e Innovacion (MICINN, project numbers CTQ2008-03077/BQU and CTQ2008-06532/BQU), the DIUE of the Generalitat de Catalunya (project numbers 2009SGR637 and 2009SGR528) and the European Community (postdoctoral fellowship PIOF-GA-2009-252856). Excellent service by the Centre de Supercomputacio de Catalunya (CESCA) is gratefully acknowledged. The authors also are grateful to the computer resources, technical expertise, and assistance provided by the Barcelona Supercomputing Center-Centro Nacional de Supercomputacion. Support for the research of M. Sola was received through the ICREA Academia 2009 prize for excellence in research funded by the DIUE of the Generalitat de Catalunya
application/pdf
eng
info:eu-repo/grantAgreement/MICINN//CTQ2008-03077/ES/CLUSTERES METALICOS Y SEMIMETALICOS. ESTUDIOS DE AROMATICIDAD Y REACTIVIDAD/
info:eu-repo/grantAgreement/MICINN//CTQ2008-06532/ES/REACTIVIDAD Y ENLACE QUIMICO EN BIOMEDICINA Y QUIMICA (BIO)INORGANICA/
AGAUR/2009-2014/2009 SGR-637
AGAUR/2009-2014/2009 SGR-528
Reproducció digital del document publicat a: http://dx.doi.org/10.1039/C0CP01594F
© Physical Chemistry Chemical Physics, 2011, núm. 13, p. 3585-3603
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/252856/EU/Enzyme Design of Medical Interest/MEDENZYMEDESIGN
FP7
-1
MEDENZYMEDESIGN
-1
CLUSTERES METALICOS Y SEMIMETALICOS. ESTUDIOS DE AROMATICIDAD Y REACTIVIDAD
REACTIVIDAD Y ENLACE QUIMICO EN BIOMEDICINA Y QUIMICA (BIO)INORGANICA
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Ful·lerens -- Reactivitat
Fullerenes -- Reactivity
Reaccions químiques
Chemical reactions
Diels-Alder, Reacció de
Bingel-Hirsch, Reacció de
Bingel-Hirsch reaction
The reactivity of endohedral fullerenes: What can be learnt from computational studies?
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
NO
ORIGINAL
reactivity-endohedral.pdf
reactivity-endohedral.pdf
application/pdf
4547654
https://dugi-doc.udg.edu/bitstream/10256/7148/1/reactivity-endohedral.pdf
88b3de68fffc82d59268a94137e24bcd
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7148/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
reactivity-endohedral.pdf.jpg
reactivity-endohedral.pdf.jpg
Generated Thumbnail
image/jpeg
3209
https://dugi-doc.udg.edu/bitstream/10256/7148/3/reactivity-endohedral.pdf.jpg
b1e02cb70435f81042d1f5d5811fc97b
MD5
3
10256/7148
oai:dugi-doc.udg.edu:10256/7148
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/72922024-02-21T12:48:09Zcom_10256_1515com_10256_2943col_10256_1534col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Ribas Romagós, David
Palomeras Rovira, Narcís
Ridao Rodríguez, Pere
Carreras Pérez, Marc
Mallios, Angelos
Ministerio de Educación y Ciencia (Espanya)
Ministerio de Ciencia e Innovación (Espanya)
2012-11-23T13:38:17Z
2012-11-23T13:38:17Z
2012
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
1083-4435
http://hdl.handle.net/10256/7292
http://dx.doi.org/10.1109/TMECH.2011.2174065
This paper outlines the specifications and basic design approach taken on the development of the Girona 500, an autonomous underwater vehicle whose most remarkable characteristic is its capacity to reconfigure for different tasks. The capabilities of this new vehicle range from different forms of seafloor survey to inspection and intervention tasks
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2012-11-23T13:37:45Z
No. of bitstreams: 1
Girona-500-AUV.pdf: 559795 bytes, checksum: 83adb823f13f853bbbd831abcf4b9c10 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2012-11-23T13:38:17Z (GMT) No. of bitstreams: 1
Girona-500-AUV.pdf: 559795 bytes, checksum: 83adb823f13f853bbbd831abcf4b9c10 (MD5)
Made available in DSpace on 2012-11-23T13:38:17Z (GMT). No. of bitstreams: 1
Girona-500-AUV.pdf: 559795 bytes, checksum: 83adb823f13f853bbbd831abcf4b9c10 (MD5)
Previous issue date: 2012
Manuscript received April 1, 2011; revised August 5, 2011; accepted October 7, 2011. Date of publication November 30, 2011; date of current version January 9, 2012. Recommended by Guest Editor W. Kirkwood. This work was supported in part by the TRIDENT EU FP7-Project under Grant ICT-248497, in part by the Marie Curie PERG-GA-2010-276778 (Surf3DSLAM), and in part by the Spanish Government under the projects DPI2008-06548-C03 and CTM2010-15216/MAR
application/pdf
eng
Institute of Electrical and Electronics Engineers
info:eu-repo/grantAgreement/MICINN//DPI2008-06548-C03-03/ES/ROBOT GENERICO E INTELIGENTE CON NAVEGACION Y OPERACION AUTONOMA PARA PROFUNDIDADES DE 500 METROS/
info:eu-repo/grantAgreement/MICINN//CTM2010-15216/ES/SISTEMA DE CONSTRUCCION DE MAPAS MULTIMODALES PARA LA CARACTERIZACION DEL FONDO MARINO MEDIANTE LA UTILIZACION DE UN ROBOT AUTONOMO/
Reproducció digital del document publicat a: http://dx.doi.org/10.1109/TMECH.2011.2174065
© IEEE/ASME Transactions on Mechatronics, 2012, vol. 17, núm. 1, p. 46-53
Articles publicats (D-ATC)
info:eu-repo/grantAgreement/EC/FP7/276778/EU/Probabilistic 3D surface matching for bathymetry based Simultaneous Localization and Mapping of underwater vehicles/SURF3DSLAM
info:eu-repo/grantAgreement/EC/FP7/248497/EU/Marine Robots and Dexterous Manipulation for Enabling Autonomous Underwater Multipurpose Intervention Missions/TRIDENT
FP7
-1
FP7
-1
SURF3DSLAM
-1
TRIDENT
-1
ROBOT GENERICO E INTELIGENTE CON NAVEGACION Y OPERACION AUTONOMA PARA PROFUNDIDADES DE 500 METROS
SISTEMA DE CONSTRUCCION DE MAPAS MULTIMODALES PARA LA CARACTERIZACION DEL FONDO MARINO MEDIANTE LA UTILIZACION DE UN ROBOT AUTONOMO
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Vehicles submergibles
Submersibles
Robots submarins
Underwater robots
Girona 500 AUV: From Survey to Intervention
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
NO
ORIGINAL
Girona-500-AUV.pdf
Girona-500-AUV.pdf
application/pdf
559795
https://dugi-doc.udg.edu/bitstream/10256/7292/1/Girona-500-AUV.pdf
83adb823f13f853bbbd831abcf4b9c10
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7292/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Girona-500-AUV.pdf.jpg
Girona-500-AUV.pdf.jpg
Generated Thumbnail
image/jpeg
3554
https://dugi-doc.udg.edu/bitstream/10256/7292/3/Girona-500-AUV.pdf.jpg
0b632766666687d9f48df7c51748dd13
MD5
3
10256/7292
oai:dugi-doc.udg.edu:10256/7292
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/72972024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Garcia Bosch, Isaac
Codolà Duch, Zoel
Prat Casellas, Irene
Ribas Salamaña, Xavi
Lloret Fillol, Julio
Costas Salgueiro, Miquel
Ministerio de Ciencia e Innovación (Espanya)
Ministerio de Ciencia y Tecnología (Espanya)
2012-11-27T08:40:24Z
2012-11-27T08:40:24Z
2012
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
0947-6539
http://hdl.handle.net/10256/7297
http://dx.doi.org/10.1002/chem.201202147
1521-3765
Bioinspired oxidation: the hydroxylation of alkanes with retention of the configuration and the cis-dihydroxylation of olefins can be accomplished using [FeII(CF3SO3)2(Me,HPyTACN)] as a catalyst, water as an oxygen-atom source, and cerium ammonium nitrate (CAN) as a single-electron oxidant. The oxidation of CH bonds and CC bonds, as well as water oxidation involves a common reaction intermediate formed by the reaction of CAN and [FeIV(O)(OH2)(Me,HPyTACN)]+
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2012-11-27T08:37:40Z
No. of bitstreams: 1
Iron-Catalyzed.pdf: 350791 bytes, checksum: a1d1540d6b90f7a2f45740cb86d14d9d (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2012-11-27T08:39:57Z (GMT) No. of bitstreams: 1
Iron-Catalyzed.pdf: 350791 bytes, checksum: a1d1540d6b90f7a2f45740cb86d14d9d (MD5)
Made available in DSpace on 2012-11-27T08:40:24Z (GMT). No. of bitstreams: 1
Iron-Catalyzed.pdf: 350791 bytes, checksum: a1d1540d6b90f7a2f45740cb86d14d9d (MD5)
Previous issue date: 2012
Financial support by MCYT (CTQ2009-08864, and Consolider Ingenio CSD-2010-00065). European Research Council project ERC-2009-StG-239910. JLF thanks MICINN for a RyC contract. ICREA Academia Awards and SGR-239910
application/pdf
eng
Wiley-VCH Verlag Berlin
MICYT/CTQ2009-08864
MICINN/PN 2010-2016/CSD2010-00065
Reproducció digital del document publicat a: http://dx.doi.org/10.1002/chem.201202147
© Chemistry : a European Journal, 2012, vol. 18, núm. 42, p. 13269-13273
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/239910/EU/Bio-inspired Design of Catalysts for Selective Oxidations of C-H and C=C Bonds/BIDECASEOX
FP7
-1
BIDECASEOX
-1
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Química bioinorgànica
Bioinorganic chemistry
Activació (Química)
Activation (Chemistry)
Compostos organometàl·lics
Organometallic compounds
Oxidació
Oxidation
Iron-Catalyzed C-H Hydroxylation and Olefin cis-Dihydroxylation Using a Single-Electron Oxidant and Water as the Oxygen-Atom Source
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
NO
ORIGINAL
Iron-Catalyzed.pdf
Iron-Catalyzed.pdf
application/pdf
350791
https://dugi-doc.udg.edu/bitstream/10256/7297/1/Iron-Catalyzed.pdf
a1d1540d6b90f7a2f45740cb86d14d9d
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7297/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Iron-Catalyzed.pdf.jpg
Iron-Catalyzed.pdf.jpg
Generated Thumbnail
image/jpeg
3337
https://dugi-doc.udg.edu/bitstream/10256/7297/3/Iron-Catalyzed.pdf.jpg
7959ae03f4773d2a9a4e74666f082c94
MD5
3
10256/7297
oai:dugi-doc.udg.edu:10256/7297
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/72992024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Osuna Oliveras, Sílvia
Valencia, Ramon
Rodríguez Fortea, Antonio
Swart, Marcel
Solà i Puig, Miquel
Poblet, Josep M.
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2012-11-27T12:06:37Z
2012-11-27T12:06:37Z
2012
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
0947-6539
http://hdl.handle.net/10256/7299
http://dx.doi.org/10.1002/chem.201200940
1521-3765
In this work a detailed investigation of the exohedral reactivity of the most important and abundant endohedral metallofullerene (EMF) is provided, that is, Sc3N@Ih-C80 and its D5h counterpart Sc3N@D5h-C80, and the (bio)chemically relevant lutetium- and gadolinium-based M3N@Ih/D5h-C80 EMFs (M=Sc, Lu, Gd). In particular, we analyze the thermodynamics and kinetics of the Diels–Alder cycloaddition of s-cis-1,3-butadiene on all the different bonds of the Ih-C80 and D5h-C80 cages and their endohedral derivatives. First, we discuss the thermodynamic and kinetic aspects of the cycloaddition reaction on the hollow fullerenes and the two isomers of Sc3N@C80. Afterwards, the effect of the nature of the metal nitride is analyzed in detail. In general, our BP86/TZP//BP86/DZP calculations indicate that [5,6] bonds are more reactive than [6,6] bonds for the two isomers. The [5,6] bond D5h-b, which is the most similar to the unique [5,6] bond type in the icosahedral cage, Ih-a, is the most reactive bond in M3N@D5h-C80 regardless of M. Sc3N@C80 and Lu3N@C80 give similar results; the regioselectivity is, however, significantly reduced for the larger and more electropositive M=Gd, as previously found in similar metallofullerenes. Calculations also show that the D5h isomer is more reactive from the kinetic point of view than the Ih one in all cases which is in good agreement with experiments
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2012-11-27T12:05:51Z
No. of bitstreams: 1
Full-Exploration.pdf: 1411611 bytes, checksum: ada014d0793e0111791d9402e5b5dbcd (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2012-11-27T12:06:17Z (GMT) No. of bitstreams: 1
Full-Exploration.pdf: 1411611 bytes, checksum: ada014d0793e0111791d9402e5b5dbcd (MD5)
Made available in DSpace on 2012-11-27T12:06:37Z (GMT). No. of bitstreams: 1
Full-Exploration.pdf: 1411611 bytes, checksum: ada014d0793e0111791d9402e5b5dbcd (MD5)
Previous issue date: 2012
The following organizations are thanked for financial support: the Ministerio de Ciencia e Innovacion (MICINN; project numbers CTQ2008-06532/BQU, CTQ2008-06549-C02-01/BQU, CTQ2011-23156/BQU, and CTQ2011-25086/BQU), the DIUE of the Generalitat de Catalunya (project numbers 2009SGR637, 2009SGR528, 2009SGR462, and XRQTC), and the European Community (postdoctoral fellowship PIOF-GA-2009-252856). Excellent service by the Centre de Serveis Cientifics i Academics de Catalunya (CESCA) is gratefully acknowledged. The authors are also grateful to the computer resources, technical expertise, and assistance provided by the Barcelona Supercomputing Center - Centro Nacional de Supercomputacion. Support for the research of M. Sola was received through the ICREA Academia 2009 prize for excellence in research funded by the DIUE of the Generalitat de Catalunya
application/pdf
eng
Wiley-VCH Verlag Berlin
info:eu-repo/grantAgreement/MICINN//CTQ2008-06532/ES/REACTIVIDAD Y ENLACE QUIMICO EN BIOMEDICINA Y QUIMICA (BIO)INORGANICA/
info:eu-repo/grantAgreement/MICINN//CTQ2011-23156/ES/AVANCES EN CATALISIS Y AROMATICIDAD/
info:eu-repo/grantAgreement/MICINN//CTQ2011-25086/ES/MODELIZACION MULTIESCALAR EN (BIO)QUIMICA/
AGAUR/2009-2014/2009 SGR-637
AGAUR/2009-2014/2009 SGR-528
AGAUR/2009-2014/2009 SGR-462
Reproducció digital del document publicat a: http://dx.doi.org/10.1002/chem.201200940
© Chemistry : a European Journal, 2012, vol. 18, núm. 29, p. 8944-8956
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/252856/EU/Enzyme Design of Medical Interest/MEDENZYMEDESIGN
FP7
-1
MEDENZYMEDESIGN
-1
REACTIVIDAD Y ENLACE QUIMICO EN BIOMEDICINA Y QUIMICA (BIO)INORGANICA
AVANCES EN CATALISIS Y AROMATICIDAD
MODELIZACION MULTIESCALAR EN (BIO)QUIMICA
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Diels-Alder, Reacció de
Diels-Alder reaction
Reaccions químiques
Chemical reactions
Fullerenes
Ful·lerens
Funcional de densitat, Teoria del
Density functionals
Termodinàmica
Thermodynamic
Ciclització (Química)
Ring formation (Chemistry)
Full Exploration of the Diels–Alder Cycloaddition on Metallofullerenes M3N@C80 (M=Sc, Lu, Gd): The D5h versus Ih Isomer and the Influence of the Metal Cluster
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
NO
ORIGINAL
Full-Exploration.pdf
Full-Exploration.pdf
application/pdf
1411611
https://dugi-doc.udg.edu/bitstream/10256/7299/1/Full-Exploration.pdf
ada014d0793e0111791d9402e5b5dbcd
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7299/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Full-Exploration.pdf.jpg
Full-Exploration.pdf.jpg
Generated Thumbnail
image/jpeg
3212
https://dugi-doc.udg.edu/bitstream/10256/7299/3/Full-Exploration.pdf.jpg
4b0153107e9f40c934ce754c67dd7076
MD5
3
10256/7299
oai:dugi-doc.udg.edu:10256/7299
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/74712021-07-01T10:18:18Zcom_10256_1531com_10256_2943col_10256_1551col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Solà i Puig, Miquel
Feixas Geronès, Ferran
Jiménez Halla, José Óscar Carlos
Matito i Gras, Eduard
Poater i Teixidor, Jordi
Ministerio de Educación y Ciencia (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2013-01-31T09:16:24Z
2013-01-31T09:16:24Z
2010
2073-8994
http://hdl.handle.net/10256/7471
http://dx.doi.org/10.3390/sym2021156
012801
2073-8994
The lack of reference aromatic systems in the realm of inorganic aromatic compounds makes the evaluation of aromaticity in all-metal and semimetal clusters a difficult task. To date, calculation of nucleus-independent chemical shifts (NICS) has been the most widely used method to discuss aromaticity in these systems. In the first part of this work, we briefly review our previous studies, showing some pitfalls of the NICS indicator of aromaticity in organic molecules. Then, we refer to our study on the
performance of some aromaticity indices in a series of 15 aromaticity tests, which can be used to analyze the advantages and drawbacks of aromaticity descriptors. It is shown that indices based on the study of electron delocalization are the most accurate among those analyzed in the series of proposed tests, while NICS(1)zz and NICS(0)pzz present the best behavior among NICS indices. In the second part, we discuss the use of NICS and electronic multicenter indices (MCI) in inorganic clusters. In particular, we evaluate the aromaticity of two series of all-metal and semimetal clusters with predictable aromaticity trends by means of NICS and MCI. Results show that the expected trends are generally better reproduced by MCI than NICS. It is concluded that NICS(0)p and NICS(0)pzz are the kind of NICS that perform the best among the different NICS indices analyzed for the studied series of inorganic compounds
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-01-31T09:15:25Z
No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
Critical-assessment-performance.pdf: 687871 bytes, checksum: e7a257d6bba9946c552ff6449ea078e1 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-01-31T09:16:04Z (GMT) No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
Critical-assessment-performance.pdf: 687871 bytes, checksum: e7a257d6bba9946c552ff6449ea078e1 (MD5)
Made available in DSpace on 2013-01-31T09:16:24Z (GMT). No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
Critical-assessment-performance.pdf: 687871 bytes, checksum: e7a257d6bba9946c552ff6449ea078e1 (MD5)
Previous issue date: 2010
Financial help has been furnished by the Spanish MICINN Project No. CTQ2008-03077/BQU and by the Catalan DIUE through project No. 2009SGR637. F.F. and J.P. thank the MICINN for the doctoral fellowship No. AP2005-2997 and the Ramon y Cajal contract, respectively. E. M. acknowledges financial support from the Lundbeck Foundation Center and from Marie Curie IntraEuropean Fellowship, Seventh Framework Programme (FP7/2007-2013), under grant agreement No. PIEF-GA-2008-221734 and from the Polish Ministry of Science and Higher Education (Project No. N N204 215634). Support for the research of M. S. was received through the prize "ICREA Academia" 2009 for excellence in research funded by the DIUE of the Generalitat de Catalunya. We thank the Centre de Supercomputacio de Catalunya (CESCA) for partial funding of computer time
application/pdf
eng
MDPI (Multidisciplinary Digital Publishing Institute)
info:eu-repo/grantAgreement/MICINN//CTQ2008-03077/ES/CLUSTERES METALICOS Y SEMIMETALICOS. ESTUDIOS DE AROMATICIDAD Y REACTIVIDAD/
AGAUR/2009-2014/2009 SGR-637
Reproducció digital del document publicat a: http://dx.doi.org/10.3390/sym2021156
Symmetry, 2010, núm. 2, p. 1156-1179
Articles publicats (D-Q)
CLUSTERES METALICOS Y SEMIMETALICOS. ESTUDIOS DE AROMATICIDAD Y REACTIVIDAD
Attribution 3.0 Spain
http://creativecommons.org/licenses/by/3.0/es/
info:eu-repo/semantics/openAccess
Metalls
Metals
Compostos inorgànics
Inorganic compounds
Aromaticitat (Química)
Aromaticity (Chemistry)
A Critical Assessment of the Performance of Magnetic and Electronic Indices of Aromaticity
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
rc1
ORIGINAL
Critical-assessment-performance.pdf
Critical-assessment-performance.pdf
application/pdf
687871
https://dugi-doc.udg.edu/bitstream/10256/7471/1/Critical-assessment-performance.pdf
e7a257d6bba9946c552ff6449ea078e1
MD5
1
CC-LICENSE
license_rdf
license_rdf
application/rdf+xml; charset=utf-8
1370
https://dugi-doc.udg.edu/bitstream/10256/7471/2/license_rdf
ac86fe33011bda956ed9b032abf4d402
MD5
2
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7471/3/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
3
THUMBNAIL
Critical-assessment-performance.pdf.jpg
Critical-assessment-performance.pdf.jpg
Generated Thumbnail
image/jpeg
2963
https://dugi-doc.udg.edu/bitstream/10256/7471/4/Critical-assessment-performance.pdf.jpg
463486c7b8a6597582129ae8bb4743ee
MD5
4
10256/7471
oai:dugi-doc.udg.edu:10256/7471
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/75472021-07-01T10:18:18Zcom_10256_1525com_10256_2943col_10256_1548col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Nadal i Matamala, Anna
Montero Mirabet, Maria
Company Casadevall, Núria
Badosa Romañó, Esther
Messeguer i Peypoch, Joaquima
Montesinos Barreda, Laura
Montesinos Seguí, Emilio
Pla i de Solà-Morales, Maria
Ministerio de Ciencia e Innovación (Espanya)
2013-02-19T15:46:25Z
2013-02-19T15:46:25Z
2012
1471-2229
http://hdl.handle.net/10256/7547
http://dx.doi.org/10.1186/1471-2229-12-159
018641
1471-2229
The Biopeptide BP100 is a synthetic and strongly cationic α-helical undecapeptide with high, specific antibacterial activity against economically important plant-pathogenic bacteria, and very low toxicity. It was selected from a library of synthetic peptides, along with other peptides with activities against relevant bacterial and fungal species. Expression of the BP100 series of peptides in plants is of major interest to establish disease-resistant plants and facilitate molecular farming. Specific challenges were the small length, peptide degradation by plant proteases and toxicity to the host plant. Here we approached the expression of the BP100 peptide series in plants using BP100 as a proof-of-concept. Results: Our design considered up to three tandemly arranged BP100 units and peptide accumulation in the endoplasmic reticulum (ER), analyzing five BP100 derivatives. The ER retention sequence did not reduce the antimicrobial activity of chemically synthesized BP100 derivatives, making this strategy possible. Transformation with sequences encoding BP100 derivatives (bp100der) was over ten-fold less efficient than that of the hygromycin phosphotransferase (hptII) transgene. The BP100 direct tandems did not show higher antimicrobial activity than BP100, and genetically modified (GM) plants constitutively expressing them were not viable. In contrast, inverted repeats of BP100, whether or not elongated with a portion of a natural antimicrobial peptide (AMP), had higher antimicrobial activity, and fertile GM rice lines constitutively expressing bp100der were produced. These GM lines had increased resistance to the pathogens Dickeya chrysanthemi and Fusarium verticillioides, and tolerance to oxidative stress, with agronomic performance comparable to untransformed lines. Conclusions: Constitutive expression of transgenes encoding short cationic α-helical synthetic peptides can have a strong negative impact on rice fitness. However, GM plants expressing, for example, BP100 based on inverted repeats, have adequate agronomic performance and resistant phenotypes as a result of a complex equilibrium between bp100der toxicity to plant cells, antimicrobial activity and transgene-derived plant stress response. It is likely that these results can be extended to other peptides with similar characteristics
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-02-19T15:46:00Z
No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
Constitutive-expression.pdf: 2580011 bytes, checksum: c5331687ca58301d0c2258fcfe06218f (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-02-19T15:46:25Z (GMT) No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
Constitutive-expression.pdf: 2580011 bytes, checksum: c5331687ca58301d0c2258fcfe06218f (MD5)
Made available in DSpace on 2013-02-19T15:46:25Z (GMT). No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
Constitutive-expression.pdf: 2580011 bytes, checksum: c5331687ca58301d0c2258fcfe06218f (MD5)
Previous issue date: 2012
This work was financially supported by the Spanish Ministerio de Ciencia e Innovacion (projects AGL2010-17181/AGR and PLANT-KBBE EUI2008-03769) and the Generalitat de Catalunya (SGR-2009-12)
application/pdf
eng
BioMed Central
info:eu-repo/grantAgreement/MICINN//AGL2010-17181/ES/EFECTOS NO INTENCIONADOS DE TRANSGENES Y OPTIMIZACION DE LA PRODUCCION DE PEPTIDOS ANTIMICROBIANOS DE USO FITOSANITARIO EN PLANTAS-BIOFACTORIA/
Reproducció digital del document publicat a: http://dx.doi.org/10.1186/1471-2229-12-159
BMC Plant Biology, 2012, vol. 12, p. 159-180
Articles publicats (D-EQATA)
EFECTOS NO INTENCIONADOS DE TRANSGENES Y OPTIMIZACION DE LA PRODUCCION DE PEPTIDOS ANTIMICROBIANOS DE USO FITOSANITARIO EN PLANTAS-BIOFACTORIA
Attribution 2.0 Spain
http://creativecommons.org/licenses/by/2.0/es/
info:eu-repo/semantics/openAccess
Antibiòtics pèptids
Peptide antibiotics
Plantes transgèniques
Transgenic plants
Arròs -- Genètica
Rice -- Genetics
Constitutive expression of transgenes encoding derivatives of the synthetic antimicrobial peptide BP100: impact on rice host plant fitness
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
rc1
ORIGINAL
Constitutive-expression.pdf
Constitutive-expression.pdf
application/pdf
2580011
https://dugi-doc.udg.edu/bitstream/10256/7547/1/Constitutive-expression.pdf
c5331687ca58301d0c2258fcfe06218f
MD5
1
CC-LICENSE
license_rdf
license_rdf
application/rdf+xml; charset=utf-8
1370
https://dugi-doc.udg.edu/bitstream/10256/7547/2/license_rdf
ac86fe33011bda956ed9b032abf4d402
MD5
2
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7547/3/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
3
THUMBNAIL
Constitutive-expression.pdf.jpg
Constitutive-expression.pdf.jpg
Generated Thumbnail
image/jpeg
2849
https://dugi-doc.udg.edu/bitstream/10256/7547/4/Constitutive-expression.pdf.jpg
a77fa90061514fdfb9523e6746d2ac53
MD5
4
10256/7547
oai:dugi-doc.udg.edu:10256/7547
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/76802021-09-28T08:02:59Zcom_10256_1525com_10256_2943col_10256_1548col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Olivella Costa, Àngels
Jové Martín, Patricia
Sen, Ali Umut
Pereira, Helena
Villaescusa Gil, Isabel
Fiol Santaló, Núria
Ministerio de Ciencia e Innovación (Espanya)
2013-04-02T11:10:49Z
2013-04-02T11:10:49Z
2011
1930-2126
http://hdl.handle.net/10256/7680
014922
Quercus cerris is an important oak species extended in large areas of Eastern Europe and Minor Asia that has a thick bark which is not utilized at all. The sorption performance of cork from Quercus cerris bark with four polycyclic aromatic hydrocarbons (PAHs) (acenaphthene, fluorene, phenanthrene, and anthracene) was investigated. Quercus cerris cork was characterized for elemental analysis, acidic groups, and summative chemical composition, and the results were compared with Quercus suber cork. A Microtox® test was carried out to test for the release of any toxic compounds into the solution. All isotherms fit the Freundlich model and displayed linear n values. Quercus cerris exhibited a high efficiency for sorption of PAHs for the studied concentrations (5 to 50 µg/L) with 80-96% removal, while the desorption isotherms showed a very low release of the adsorbed PAHs (<2%). In relation to Quercus suber cork, KF values of Quercus cerris cork are about three times lower. The quantity of Quercus cerris cork required to reduce water pollution by PAHs was estimated to be less than twice the quantity of other adsorbents such as aspen wood and leonardite. Toxicity tests indicated that non-toxic compounds were released into the solution by the Quercus cerris and Quercus suber cork samples. Overall the results indicate the potential use of Quercus cerris cork and of Quercus suber cork as effective and economical biosorbents for the treatment of PAH-contaminated waters
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-04-02T11:10:26Z
No. of bitstreams: 1
SORPTION-PERFORMANC.pdf: 298720 bytes, checksum: 89a50d52f98401a6151c9d8abbd9825d (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-04-02T11:10:49Z (GMT) No. of bitstreams: 1
SORPTION-PERFORMANC.pdf: 298720 bytes, checksum: 89a50d52f98401a6151c9d8abbd9825d (MD5)
Made available in DSpace on 2013-04-02T11:10:49Z (GMT). No. of bitstreams: 1
SORPTION-PERFORMANC.pdf: 298720 bytes, checksum: 89a50d52f98401a6151c9d8abbd9825d (MD5)
Previous issue date: 2011
This research was funded by the Spanish Ministry of Science and Innovation as part of the project CTM CTM2010-15185
application/pdf
eng
North Carolina State University
info:eu-repo/grantAgreement/MICINN//CTM2010-15185/ES/INVESTIGACION DEL PAPEL DE LOS BIOPOLIMEROS EN LA SORCION DE CONTAMINANTES ORGANICOS. ESTUDIO DEL CORCHO COMO NUEVO BIOSORBENTE./
© BioResources, 2011, vol. 6, núm. 3, p. 3363-3375
Articles publicats (D-EQATA)
INVESTIGACION DEL PAPEL DE LOS BIOPOLIMEROS EN LA SORCION DE CONTAMINANTES ORGANICOS. ESTUDIO DEL CORCHO COMO NUEVO BIOSORBENTE.
Tots els drets reservats
info:eu-repo/semantics/openAccess
Roure
Oak
Suro
Cork
Sorption performance of quercus cerris cork with polycyclic aromatic hydrocarbons and toxicity testing
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
SORPTION-PERFORMANC.pdf
SORPTION-PERFORMANC.pdf
application/pdf
298720
https://dugi-doc.udg.edu/bitstream/10256/7680/1/SORPTION-PERFORMANC.pdf
89a50d52f98401a6151c9d8abbd9825d
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7680/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
SORPTION-PERFORMANC.pdf.jpg
SORPTION-PERFORMANC.pdf.jpg
Generated Thumbnail
image/jpeg
3012
https://dugi-doc.udg.edu/bitstream/10256/7680/3/SORPTION-PERFORMANC.pdf.jpg
2585c169d3359218009bb45da5b03da9
MD5
3
10256/7680
oai:dugi-doc.udg.edu:10256/7680
2021-09-28 10:02:59.767
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/76832021-07-01T10:18:18Zcom_10256_1525com_10256_2943col_10256_1548col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
González Tovar, Israel
Alcalà Vilavella, Manel
Arbat Pujolràs, Gerard
Vilaseca Morera, Fabiola
Mutjé Pujol, Pere
Ministerio de Ciencia e Innovación (Espanya)
2013-04-02T13:08:57Z
2013-04-02T13:08:57Z
2013
1930-2126
http://hdl.handle.net/10256/7683
017613
The use of chemithermomechanical (CTMP) pulp from rapeseed residues as raw material for the manufacturing of linerboard and fluting medium grades was investigated. For this purpose, different alternatives for improving mechanical and optical properties of rapeseed CTMP were studied, and the addition of nanofibrillated cellulose (NFC) was proposed to decrease the intensity of the beating process and enhance the final mechanical properties. Handsheets from each pulp were produced, and their properties compared to those of linerboard from recycled paper. Compared to kraft linerboard from recycled paper, rapeseed CTMP required less beating to reach an optimal breaking length. This reduction in beating can be combined with the addition of NFC to improve the mechanical properties of paper. Therefore, rapeseed CTMP from crop residues is a technically affordable alternative for the production of fluting and linerboard grades
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-04-02T13:08:35Z
No. of bitstreams: 1
SuitabilityRapeseed.pdf: 373098 bytes, checksum: e7b8f53d685a48d3b78e6aefd8363870 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-04-02T13:08:57Z (GMT) No. of bitstreams: 1
SuitabilityRapeseed.pdf: 373098 bytes, checksum: e7b8f53d685a48d3b78e6aefd8363870 (MD5)
Made available in DSpace on 2013-04-02T13:08:57Z (GMT). No. of bitstreams: 1
SuitabilityRapeseed.pdf: 373098 bytes, checksum: e7b8f53d685a48d3b78e6aefd8363870 (MD5)
Previous issue date: 2013
The authors wish to thank the Ministerio de Ciencia e Innovacion for the financial support (CTQ2010-21660-C03-03 and CTM2011-28506-C02-01) of this study
application/pdf
eng
North Carolina State University
info:eu-repo/grantAgreement/MICINN//CTM2011-28506-C02-01/ES/NUEVOS BIO-MATERIALES A PARTIR DE CELULOSA MICROFIBRILADA Y CELULOSA BACTERIANA/
info:eu-repo/grantAgreement/MICINN//CTQ2010-21660-C03-03/ES/PROCESO SOSTENIBLE DE OBTENCION DE PASTAS CELULOSICAS A PARTIR DE RESIDUOS AGRICOLAS PROCEDENTES DE LA PODA DE CITRICOS Y DE TALLOS DE COLZA/
© BioResources, 2013, vol. 8, núm. 2, p. 1697-1708
Articles publicats (D-EQATA)
PROCESO SOSTENIBLE DE OBTENCION DE PASTAS CELULOSICAS A PARTIR DE RESIDUOS AGRICOLAS PROCEDENTES DE LA PODA DE CITRICOS Y DE TALLOS DE COLZA
NUEVOS BIO-MATERIALES A PARTIR DE CELULOSA MICROFIBRILADA Y CELULOSA BACTERIANA
Tots els drets reservats
info:eu-repo/semantics/openAccess
Paper -- Fabricació
Papermaking
Fibres de cel·lulosa
Cellulose fibers
Suitability of Rapeseed Chemithermomechanical Pulp as Raw Material in Papermaking
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
SuitabilityRapeseed.pdf
SuitabilityRapeseed.pdf
application/pdf
373098
https://dugi-doc.udg.edu/bitstream/10256/7683/1/SuitabilityRapeseed.pdf
e7b8f53d685a48d3b78e6aefd8363870
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7683/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
SuitabilityRapeseed.pdf.jpg
SuitabilityRapeseed.pdf.jpg
Generated Thumbnail
image/jpeg
3230
https://dugi-doc.udg.edu/bitstream/10256/7683/3/SuitabilityRapeseed.pdf.jpg
ce54b95eab5c5ad4802e1d4a4ab42475
MD5
3
10256/7683
oai:dugi-doc.udg.edu:10256/7683
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
Q29uZGljaW9ucyBkZWwgZGlww7JzaXQKCgpQZXIgcG9kZXIgcHVibGljYXIgZWwgZG9jdW1lbnQgYWwgRFVHaSBlbnMgY2FsIHVuYSBhdXRvcml0emFjacOzIHZvc3RyYSBwZXIgZGlmb25kcmUsIHB1YmxpY2FyIG8gY29tdW5pY2FyIGVsIHRleHQgZW4gbGVzIGNvbmRpY2lvbnMgc2Vnw7xlbnRzOgoKCi0gQXV0b3JpdHpvIGEgbGEgVW5pdmVyc2l0YXQgZGUgR2lyb25hIGEgZGlmb25kcmUsIHB1YmxpY2FyIG8gY29tdW5pY2FyIGVscyBkb2N1bWVudHMsIGRlIGZvcm1hIMOtbnRlZ3JhIG8gcGFyY2lhbCwgc2Vuc2Ugb2J0ZW5pciBjYXAgYmVuZWZpY2kgY29tZXJjaWFsLCDDum5pY2FtZW50IGFtYiBmaW5hbGl0YXRzIGRlIHJlY2VyY2EgaSBzdXBvcnQgbyBpbOKAomx1c3RyYWNpw7MgZGUgbGEgZG9jw6huY2lhLCBtaXRqYW7Dp2FudCBsYSBpbmNvcnBvcmFjacOzIGRlbHMgZG9jdW1lbnRzIGEgdW5hIGJhc2UgZGUgZGFkZXMgZWxlY3Ryw7JuaWNhIGTigJlhY2PDqXMgb2JlcnQuCgoKUGVyIGEgYXF1ZXN0ZXMgZmluYWxpdGF0cyBjZWRlaXhvIGRlIGZvcm1hIG5vIGV4Y2x1c2l2YSwgc2Vuc2UgbMOtbWl0IHRlbXBvcmFsIG5pIHRlcnJpdG9yaWFsLCBlbHMgZHJldHMgZOKAmWV4cGxvdGFjacOzIHF1ZSBlbSBjb3JyZXNwb25lbiBjb20gYSBhdXRvci9hLgoKCi0gQXV0b3JpdHpvIGEgbGEgVW5pdmVyc2l0YXQgZGUgR2lyb25hIGxhIGPDsnBpYSBkZWxzIGRvY3VtZW50cyBlbiB1biBhbHRyZSBzdXBvcnQsIGFkYXB0YXItbG9zIG8gdHJhbnNmb3JtYXItbG9zIGFtYiBmaW5hbGl0YXRzIGRlIGNvbnNlcnZhY2nDsyBvIGRpZnVzacOzLCBpIGzigJlhY29yZCBhbWIgdGVyY2VyZXMgcGVyc29uZXMgcGVyIHJlYWxpdHphciBhcXVlc3RhIGNvbnNlcnZhY2nDsyBpIGRpZnVzacOzIHJlc3BlY3RhbnQgbGEgY2Vzc2nDsyBkZSBkcmV0cyBxdWUgYXJhIGVmZWN0dW8uCgoKLSBFbSByZXNlcnZvIGxhIHJlc3RhIGRlIGRyZXRzIGFscyBxdWFscyBubyBlcyBmYSByZWZlcsOobmNpYSBlbiBlbCBwcmVzZW50IGRvY3VtZW50LgoKCkxhIFVkRyBhZ3JhZWl4IGxhIHZvc3RyYSBjb2zigKJsYWJvcmFjacOzLgo=
oai:dugi-doc.udg.edu:10256/76972013-04-10T00:00:41Zcom_10256_1004com_10256_2943col_10256_1544col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Amor, Daniel R.
Fort, Joaquim
2013-04-09T10:17:30Z
2013-04-09T10:17:30Z
2009
1539-3755
http://hdl.handle.net/10256/7697
http://dx.doi.org/10.1103/PhysRevE.80.051918
1550-2376
Most integrodifference models of biological invasions are based on the nonoverlapping-generations approximation. However, the effect of multiple reproduction events overlapping generations on the front speed can be very important especially for species with a long life spam . Only in one-dimensional space has this approximation been relaxed previously, although almost all biological invasions take place in two dimensions. Here we present a model that takes into account the overlapping generations effect or, more generally, the stage structure of the population , and we analyze the main differences with the corresponding nonoverlappinggenerations results
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-04-09T10:17:11Z
No. of bitstreams: 1
Fronts-two-dimensional.pdf: 256062 bytes, checksum: 8a6fe3f63aaf31dc19ad34e74002e69c (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-04-09T10:17:30Z (GMT) No. of bitstreams: 1
Fronts-two-dimensional.pdf: 256062 bytes, checksum: 8a6fe3f63aaf31dc19ad34e74002e69c (MD5)
Made available in DSpace on 2013-04-09T10:17:30Z (GMT). No. of bitstreams: 1
Fronts-two-dimensional.pdf: 256062 bytes, checksum: 8a6fe3f63aaf31dc19ad34e74002e69c (MD5)
Previous issue date: 2009
application/pdf
eng
American Physical Society
Reproducció digital del document publicat a: http://link.aps.org/doi/10.1103/PhysRevE.80.051918
© Physical Review E, 2009, vol. 80, núm. 5, p. 051918-1 - 051918-9
Articles publicats (D-F)
Tots els drets reservats
info:eu-repo/semantics/openAccess
Kernel, Funcions de
Kernel functions
Funcions de variables complexes
Invasions biològiques -- Models matemàtics
Biological invasions -- Mathematical models
Fronts from two-dimensional dispersal kernels: Beyond the nonoverlapping-generations model
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
Fronts-two-dimensional.pdf
Fronts-two-dimensional.pdf
application/pdf
256062
https://dugi-doc.udg.edu/bitstream/10256/7697/1/Fronts-two-dimensional.pdf
8a6fe3f63aaf31dc19ad34e74002e69c
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7697/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Fronts-two-dimensional.pdf.jpg
Fronts-two-dimensional.pdf.jpg
Generated Thumbnail
image/jpeg
3116
https://dugi-doc.udg.edu/bitstream/10256/7697/3/Fronts-two-dimensional.pdf.jpg
c979e548d0d897978b4e2ce9d8edee41
MD5
3
10256/7697
oai:dugi-doc.udg.edu:10256/7697
2013-04-10 02:00:41.249
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/77612021-07-01T10:18:18Zcom_10256_1516com_10256_2943col_10256_1535col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Ruiz Rueda, Olaya
Trias Mansilla, Rosalia
Garcia-Gil, L. J.
Bañeras Vives, Lluís
Ministerio de Ciencia y Tecnología (Espanya)
Comisión Interministerial de Ciencia y Tecnología (Espanya)
2013-05-02T10:43:58Z
2013-05-02T10:43:58Z
2007
1139-6709
http://hdl.handle.net/10256/7761
http://dx.doi.org/10.2436/20.1501.01.34
010066
1618-1905
The diversity of the nitrite reductase gene nirS was studied in the bulk sediment of a free-water surface constructed wetland (FWS-CW) located next to the Empuriabrava wastewater treatment plant (WWTP), in Castelló d’Empúries (Girona, NE Spain). The study period extended from the inception of the treatment wetland, in June 1998, until March 1999 and comprised periods of relatively high nitrate and ammonium concentrations at the influent and low nitrate-removal efficiencies. To evaluate nirS diversity, partial gene sequences were obtained by cloning of the respective PCR products. Rarefaction curves based on DOTUR analyses of the deduced amino-acid sequences predicted a greater diversity of nirS genes in samples containing higher ammonium concentrations. Estimated Shannon-Weaver indices of the four cloned samples showed a positive relationship with the N-NH4 +/N-NO3− ratios measured at the FWS-CW inlet. Identities between the deduced amino-acid sequences and those previously deposited in public databases ranged from 72 to 97%. Phylogenetic analysis based on these deduced sequences grouped 165 nirS clones in seven main clusters according to high similarity indices. Up to 60% of the clones clustered together in a highly homogeneous group with little homologies to any sequence retrieved from cultured representatives. Moreover, prevailing environmental conditions appeared to select for particular denitrifying populations, e.g., with respect to ammonium load and nitrogen removal efficiencies. This observation is of particular interest for the management of treatment wetlands, in which only slight variations in the theoretical denitrification potential of the system can occur
Submitted by Irene Bosch (irene.bosch@udg.edu) on 2013-05-02T10:41:24Z
No. of bitstreams: 2
license_rdf: 1536 bytes, checksum: aadf4112358f10578ba4aad9aa53ba23 (MD5)
Diversity-nitrite-reductase.pdf: 181723 bytes, checksum: f65cf296ab221c1d8314e93346c89d97 (MD5)
Approved for entry into archive by Irene Bosch (irene.bosch@udg.edu) on 2013-05-02T10:43:58Z (GMT) No. of bitstreams: 2
license_rdf: 1536 bytes, checksum: aadf4112358f10578ba4aad9aa53ba23 (MD5)
Diversity-nitrite-reductase.pdf: 181723 bytes, checksum: f65cf296ab221c1d8314e93346c89d97 (MD5)
Made available in DSpace on 2013-05-02T10:43:58Z (GMT). No. of bitstreams: 2
license_rdf: 1536 bytes, checksum: aadf4112358f10578ba4aad9aa53ba23 (MD5)
Diversity-nitrite-reductase.pdf: 181723 bytes, checksum: f65cf296ab221c1d8314e93346c89d97 (MD5)
Previous issue date: 2007
This research has been funded by the Spanish Ministry of Education and Science (grants REN2003-02185 and CGL2006-02382)
application/pdf
eng
Spanish Society for Microbiology (SEM), Viguera Editores
MICYT/PN 2003-2006/REN2003-02185
info:eu-repo/grantAgreement/MEC//CGL2006-02382/ES/VENTAJAS DE LA UTILIZACION DE MACROFITOS EN LA TRANSFORMACION DE NITROGENO EN SISTEMAS DE HUMEDALES DE TRATAMIENTO (SHT) MEDIANTE LA ACTIVIDAD DE LA MICROBIOTA EPIFITICA DEL TALLO Y LA RIZOSFERA./
Reproducció digital del document publicat a: http://dx.doi.org/10.2436/20.1501.01.34
International Microbiology, 2007, vol. 10, núm. 4, p. 253-260
Articles publicats (D-B)
VENTAJAS DE LA UTILIZACION DE MACROFITOS EN LA TRANSFORMACION DE NITROGENO EN SISTEMAS DE HUMEDALES DE TRATAMIENTO (SHT) MEDIANTE LA ACTIVIDAD DE LA MICROBIOTA EPIFITICA DEL TALLO Y LA RIZOSFERA.
Attribution-NonCommercial-ShareAlike 3.0 Spain
http://creativecommons.org/licenses/by-nc-sa/3.0/es/
info:eu-repo/semantics/openAccess
Desnitrificació
Denitrification
Zones humides artificials
Constructed wetlands
Nitrits
Nitrites
Diversity of the nitrite reductase gene nirS in the sediment of a free-water surface constructed wetland
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
Diversity-nitrite-reductase.pdf
Diversity-nitrite-reductase.pdf
application/pdf
181723
https://dugi-doc.udg.edu/bitstream/10256/7761/1/Diversity-nitrite-reductase.pdf
f65cf296ab221c1d8314e93346c89d97
MD5
1
CC-LICENSE
license_rdf
license_rdf
application/rdf+xml; charset=utf-8
1536
https://dugi-doc.udg.edu/bitstream/10256/7761/2/license_rdf
aadf4112358f10578ba4aad9aa53ba23
MD5
2
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7761/3/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
3
THUMBNAIL
Diversity-nitrite-reductase.pdf.jpg
Diversity-nitrite-reductase.pdf.jpg
Generated Thumbnail
image/jpeg
3058
https://dugi-doc.udg.edu/bitstream/10256/7761/4/Diversity-nitrite-reductase.pdf.jpg
784a7f9f4350cd054647b325d3d9fdde
MD5
4
10256/7761
oai:dugi-doc.udg.edu:10256/7761
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
Q29uZGljaW9ucyBkZWwgZGlww7JzaXQKCgpQZXIgcG9kZXIgcHVibGljYXIgZWwgZG9jdW1lbnQgYWwgRFVHaSBlbnMgY2FsIHVuYSBhdXRvcml0emFjacOzIHZvc3RyYSBwZXIgZGlmb25kcmUsIHB1YmxpY2FyIG8gY29tdW5pY2FyIGVsIHRleHQgZW4gbGVzIGNvbmRpY2lvbnMgc2Vnw7xlbnRzOgoKCi0gQXV0b3JpdHpvIGEgbGEgVW5pdmVyc2l0YXQgZGUgR2lyb25hIGEgZGlmb25kcmUsIHB1YmxpY2FyIG8gY29tdW5pY2FyIGVscyBkb2N1bWVudHMsIGRlIGZvcm1hIMOtbnRlZ3JhIG8gcGFyY2lhbCwgc2Vuc2Ugb2J0ZW5pciBjYXAgYmVuZWZpY2kgY29tZXJjaWFsLCDDum5pY2FtZW50IGFtYiBmaW5hbGl0YXRzIGRlIHJlY2VyY2EgaSBzdXBvcnQgbyBpbOKAomx1c3RyYWNpw7MgZGUgbGEgZG9jw6huY2lhLCBtaXRqYW7Dp2FudCBsYSBpbmNvcnBvcmFjacOzIGRlbHMgZG9jdW1lbnRzIGEgdW5hIGJhc2UgZGUgZGFkZXMgZWxlY3Ryw7JuaWNhIGTigJlhY2PDqXMgb2JlcnQuCgoKUGVyIGEgYXF1ZXN0ZXMgZmluYWxpdGF0cyBjZWRlaXhvIGRlIGZvcm1hIG5vIGV4Y2x1c2l2YSwgc2Vuc2UgbMOtbWl0IHRlbXBvcmFsIG5pIHRlcnJpdG9yaWFsLCBlbHMgZHJldHMgZOKAmWV4cGxvdGFjacOzIHF1ZSBlbSBjb3JyZXNwb25lbiBjb20gYSBhdXRvci9hLgoKCi0gQXV0b3JpdHpvIGEgbGEgVW5pdmVyc2l0YXQgZGUgR2lyb25hIGxhIGPDsnBpYSBkZWxzIGRvY3VtZW50cyBlbiB1biBhbHRyZSBzdXBvcnQsIGFkYXB0YXItbG9zIG8gdHJhbnNmb3JtYXItbG9zIGFtYiBmaW5hbGl0YXRzIGRlIGNvbnNlcnZhY2nDsyBvIGRpZnVzacOzLCBpIGzigJlhY29yZCBhbWIgdGVyY2VyZXMgcGVyc29uZXMgcGVyIHJlYWxpdHphciBhcXVlc3RhIGNvbnNlcnZhY2nDsyBpIGRpZnVzacOzIHJlc3BlY3RhbnQgbGEgY2Vzc2nDsyBkZSBkcmV0cyBxdWUgYXJhIGVmZWN0dW8uCgoKLSBFbSByZXNlcnZvIGxhIHJlc3RhIGRlIGRyZXRzIGFscyBxdWFscyBubyBlcyBmYSByZWZlcsOobmNpYSBlbiBlbCBwcmVzZW50IGRvY3VtZW50LgoKCkxhIFVkRyBhZ3JhZWl4IGxhIHZvc3RyYSBjb2zigKJsYWJvcmFjacOzLgo=
oai:dugi-doc.udg.edu:10256/78352021-07-01T10:18:18Zcom_10256_1531com_10256_2943col_10256_1551col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Torrent Sucarrat, Miquel
Anglada, Josep M.
Luis Luis, Josep Maria
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2013-05-13T10:43:30Z
2013-05-13T10:43:30Z
2012
0021-9606
http://hdl.handle.net/10256/7835
http://dx.doi.org/10.1063/1.4765667
1089-7690
The conformational flexibility of the expanded porphyrins allows them to achieve different topologies with distinct aromaticities and nonlinear optical properties (NLOP). For instance, it is possible to switch between Möbius and Hückel topologies applying only small changes in the external conditions or in the structure of the ring. In this work, we evaluate the electronic and vibrational contributions to static and dynamic NLOP of the Hückel and Möbius conformers of A,D-di-pbenzi[28] hexaphyrin (1.1.1.1.1.1) synthesized by Latos-Gra˙zy´nski and co-workers [Angew. Chem., Int. Ed. 46, 7869 (2007)]. Calculations are performed at the HF, M052X, and CAM-B3LYP levels using the 6-31G, 6-311G(d), and 6-31+G(d) basis sets. Our results conclude that M052X/6-31G and CAM-B3LYP/6-31G methods provide a correct qualitative description of the electronic and vibrational contributions for the NLOP of expanded porphyrins. The studied systems show high NLOP with large differences between the Möbius and Hückel conformations (around 1 × 106 a.u. for γ¯ ). The obtained results indicate that the expanded porphyrins are promising systems to manufacture Hückel-to-Möbius topological switches
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-05-13T10:41:38Z
No. of bitstreams: 1
EvaluationNonlinear.pdf: 649474 bytes, checksum: df4be7b4f836f8c9cf488c2f9a4e480c (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-05-13T10:42:18Z (GMT) No. of bitstreams: 1
EvaluationNonlinear.pdf: 649474 bytes, checksum: df4be7b4f836f8c9cf488c2f9a4e480c (MD5)
Made available in DSpace on 2013-05-13T10:43:30Z (GMT). No. of bitstreams: 1
EvaluationNonlinear.pdf: 649474 bytes, checksum: df4be7b4f836f8c9cf488c2f9a4e480c (MD5)
Previous issue date: 2012
This research has been supported by the Spanish Direccion General de Investigacion Cientifica y Tecnica (DGYCIT, Grant Nos. CTQ2011-27812/BQU and CTQ2011-23156/BQU), the Generalitat de Catalunya (Grant Nos. 2009SGR01472 and 2009SGR637), and the Research Executive Agency (Grant Agreement No. PERG05-GA-2009-249310). The calculations described in this work were carried out at the Centre de Supercomputacio de Catalunya (CESCA). M. T-S. acknowledges the CSIC for the JAE-DOC contract
application/pdf
eng
American Institute of Physics
info:eu-repo/grantAgreement/MICINN//CTQ2011-23156/ES/AVANCES EN CATALISIS Y AROMATICIDAD/
AGAUR/2009-2014/2009 SGR-637
Reproducció digital del document publicat a: http://dx.doi.org/10.1063/1.4765667
© The Journal of Chemical Physics, 2012, vol. 137, p. 184306-1-184306-9
Articles publicats (D-Q)
AVANCES EN CATALISIS Y AROMATICIDAD
Tots els drets reservats
info:eu-repo/semantics/openAccess
Orbitals moleculars
Molecular orbitals
Dinàmica molecular
Molecular dynamics
Òptica no lineal
Nonlinear optics
Aromaticitat (Química)
Aromaticity (Chemistry)
Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
EvaluationNonlinear.pdf
EvaluationNonlinear.pdf
application/pdf
649474
https://dugi-doc.udg.edu/bitstream/10256/7835/1/EvaluationNonlinear.pdf
df4be7b4f836f8c9cf488c2f9a4e480c
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7835/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
EvaluationNonlinear.pdf.jpg
EvaluationNonlinear.pdf.jpg
Generated Thumbnail
image/jpeg
2795
https://dugi-doc.udg.edu/bitstream/10256/7835/3/EvaluationNonlinear.pdf.jpg
51cf2ee892f4f50c042bef85d629a500
MD5
3
10256/7835
oai:dugi-doc.udg.edu:10256/7835
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/78712021-07-01T10:18:18Zcom_10256_1515com_10256_2943col_10256_1534col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Barreyre, Thibaut
Escartín, Javier
García Campos, Rafael
Cannat, Mathilde
Mittelstaedt, Eric
Prados Gutiérrez, Ricard
Ministerio de Ciencia e Innovación (Espanya)
2013-05-30T11:00:15Z
2013-11-27T04:00:06Z
2012-04
1525-2027
http://hdl.handle.net/10256/7871
http://dx.doi.org/10.1029/2011GC003991
015996
Here we demonstrate with a study of the Lucky Strike hydrothermal field that image mosaicing over large seafloor areas is feasible with new image processing techniques, and that repeated surveys allow temporal studies of active processes. Lucky Strike mosaics, generated from >56,000 images acquired in 1996, 2006, 2008 and 2009, reveal the distribution and types of diffuse outflow throughout the field, and their association with high-temperature vents. In detail, the zones of outflow are largely controlled by faults, and we suggest that the spatial clustering of active zones likely reflects the geometry of the underlying plumbing system. Imagery also provides constraints on temporal variability at two time-scales. First, based upon changes in individual outflow features identified in mosaics acquired in different years, we document a general decline of diffuse outflow throughout the vent field over time-scales up to 13 years. Second, the image mosaics reveal broad patches of seafloor that we interpret as fossil outflow zones, owing to their association with extinct chimneys and hydrothermal deposits. These areas encompass the entire region of present-day hydrothermal activity, suggesting that the plumbing system has persisted over long periods of time, loosely constrained to hundreds to thousands of years. The coupling of mosaic interpretation and available field measurements allow us to independently estimate the heat flux of the Lucky Strike system at 200 to 1000 MW, with 75% to >90% of this flux taken up by diffuse hydrothermal outflow. Based on these heat flux estimates, we propose that the temporal decline of the system at short and long time scales may be explained by the progressive cooling of the AMC, without replenishment. The results at Lucky Strike demonstrate that repeated image surveys can be routinely performed to characterize and study the temporal variability of a broad range of vent sites hosting active processes (e.g., cold seeps, hydrothermal fields, gas outflows, etc.), allowing a better understanding of fluid flow dynamics from the sub-seafloor, and a quantification of fluxes
Submitted by Irene Bosch (irene.bosch@udg.edu) on 2013-05-30T10:59:40Z
No. of bitstreams: 1
Structure-temporal-evolution.pdf: 5455025 bytes, checksum: 95b58e97b84fb295b5ada97565eaad72 (MD5)
Approved for entry into archive by Irene Bosch (irene.bosch@udg.edu) on 2013-05-30T11:00:15Z (GMT) No. of bitstreams: 1
Structure-temporal-evolution.pdf: 5455025 bytes, checksum: 95b58e97b84fb295b5ada97565eaad72 (MD5)
Made available in DSpace on 2013-05-30T11:00:15Z (GMT). No. of bitstreams: 1
Structure-temporal-evolution.pdf: 5455025 bytes, checksum: 95b58e97b84fb295b5ada97565eaad72 (MD5)
Previous issue date: 2012-04
This project was funded by CNRS/IFREMER through the 2006, 2008, 2009 and 2010 cruises within the MoMAR program (France), by ANR (France) Mothseim Project NT05-3 42213 to J. Escartín, and by grant CTM2010-15216/MAR from the Spanish Ministry of Science to R. Garcia and J. Escartín. T. Barreyre was supported by University Paris Diderot (Paris 7–France) and Institut de Physique du Globe de Paris (IPGP, France). E. Mittelstaedt was supported by the International Research Fellowship Program of the U.S. National Science Foundation (OISE-0757920)
application/pdf
eng
American Geophysical Union
info:eu-repo/grantAgreement/MICINN//CTM2010-15216/ES/SISTEMA DE CONSTRUCCION DE MAPAS MULTIMODALES PARA LA CARACTERIZACION DEL FONDO MARINO MEDIANTE LA UTILIZACION DE UN ROBOT AUTONOMO/
Reproducció digital del document publicat a: http://dx.doi.org/10.1029/2011GC003991
© Geochemistry, Geophysics, Geosystems, 2012, vol. 13, núm. 4, p. 1-29
Articles publicats (D-ATC)
SISTEMA DE CONSTRUCCION DE MAPAS MULTIMODALES PARA LA CARACTERIZACION DEL FONDO MARINO MEDIANTE LA UTILIZACION DE UN ROBOT AUTONOMO
Tots els drets reservats
info:eu-repo/semantics/openAccess
Imatges -- Processament
Image processing
Fons marins
Ocean bottom
Structure, temporal evolution, and heat flux estimates from the Lucky Strike deep-sea hydrothermal field derived from seafloor image mosaics
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
6 mesos
rc1
ORIGINAL
Structure-temporal-evolution.pdf
Structure-temporal-evolution.pdf
application/pdf
5455025
https://dugi-doc.udg.edu/bitstream/10256/7871/1/Structure-temporal-evolution.pdf
95b58e97b84fb295b5ada97565eaad72
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7871/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Structure-temporal-evolution.pdf.jpg
Structure-temporal-evolution.pdf.jpg
Generated Thumbnail
image/jpeg
3107
https://dugi-doc.udg.edu/bitstream/10256/7871/3/Structure-temporal-evolution.pdf.jpg
f3398421cd4cb9595de17f1f672ee8fa
MD5
3
10256/7871
oai:dugi-doc.udg.edu:10256/7871
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/79012021-07-01T10:18:18Zcom_10256_1515com_10256_2943col_10256_1534col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Prados Gutiérrez, Ricard
García Campos, Rafael
Grácias, Nuno Ricardo Estrela
Escartín, Javier
Neumann, László
Ministerio de Ciencia e Innovación (Espanya)
2013-06-07T10:42:49Z
2013-06-07T10:42:49Z
2012-10
0364-9059
http://hdl.handle.net/10256/7901
http://dx.doi.org/10.1109/JOE.2012.2204152
016156
The fusion of several images of the same scene into a single and larger composite is known as photomosaicing. Unfortunately, the seams along image boundaries are often noticeable, due to photometrical and geometrical registration inaccuracies. Image blending is the merging step in which those artifacts are minimized. Processing bottlenecks and the lack of medium-specific processing tools have restricted underwater photomosaics to small areas despite the hundreds of thousands of square meters that modern surveys can cover. Large underwater photomosaics are increasingly in demand for the characterization of the seafloor for scientific purposes. Producing these mosaics is difficult due to the challenging nature of the underwater environment and the image acquisition conditions, including extreme depth, scattering and light attenuation phenomena, and difficulties in vehicle navigation and positioning. This paper proposes strategies and solutions to tackle the problems of very large underwater optical surveys (gigamosaics), presenting contributions in the image preprocessing, enhancing, and blending steps, resulting in an improved visual quality in the final photomosaic. A comprehensive review of the existing methods is also presented and discussed. Our approach is validated by a large optical survey of a deep-sea hydrothermal field, leading to a high-quality composite in excess of 5 Gpixel
Submitted by Irene Bosch (irene.bosch@udg.edu) on 2013-06-07T10:42:04Z
No. of bitstreams: 1
Nobel-blending-technique.pdf: 4127621 bytes, checksum: 220e50212a447e65ed5fff8772724efa (MD5)
Approved for entry into archive by Irene Bosch (irene.bosch@udg.edu) on 2013-06-07T10:42:49Z (GMT) No. of bitstreams: 1
Nobel-blending-technique.pdf: 4127621 bytes, checksum: 220e50212a447e65ed5fff8772724efa (MD5)
Made available in DSpace on 2013-06-07T10:42:49Z (GMT). No. of bitstreams: 1
Nobel-blending-technique.pdf: 4127621 bytes, checksum: 220e50212a447e65ed5fff8772724efa (MD5)
Previous issue date: 2012-10
application/pdf
eng
IEEE
info:eu-repo/grantAgreement/MICINN//CTM2010-15216/ES/SISTEMA DE CONSTRUCCION DE MAPAS MULTIMODALES PARA LA CARACTERIZACION DEL FONDO MARINO MEDIANTE LA UTILIZACION DE UN ROBOT AUTONOMO/
Versió postprint del document publicat a: http://dx.doi.org/10.1109/JOE.2012.2204152
© IEEE Journal of Oceanic Engineering, 2012, vol. 33, núm. 4, p. 626-644
Articles publicats (D-ATC)
info:eu-repo/grantAgreement/EC/FP7/288704/EU/Marine robotic system of self-organizing, logically linked physical nodes/MORPH
FP7
MORPH
SISTEMA DE CONSTRUCCION DE MAPAS MULTIMODALES PARA LA CARACTERIZACION DEL FONDO MARINO MEDIANTE LA UTILIZACION DE UN ROBOT AUTONOMO
Tots els drets reservats
info:eu-repo/semantics/openAccess
Imatges -- Processament -- Tècniques digitals
Image processing -- Digital techniques
Imatge, Tècniques d'
Imaging systems
Fons marins
Ocean bottom
A Novel blending technique for underwater gigamosaicing
info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
Cap
rc1
ORIGINAL
Nobel-blending-technique.pdf
Nobel-blending-technique.pdf
application/pdf
4127621
https://dugi-doc.udg.edu/bitstream/10256/7901/1/Nobel-blending-technique.pdf
220e50212a447e65ed5fff8772724efa
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/7901/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Nobel-blending-technique.pdf.jpg
Nobel-blending-technique.pdf.jpg
Generated Thumbnail
image/jpeg
3606
https://dugi-doc.udg.edu/bitstream/10256/7901/3/Nobel-blending-technique.pdf.jpg
d6932038dda2d77ac830c47cf959d3dd
MD5
3
10256/7901
oai:dugi-doc.udg.edu:10256/7901
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/80262021-07-01T10:18:18Zcom_10256_4398com_10256_2943col_10256_7780col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Pla Planas, Albert
López Ibáñez, Beatriz
Murillo Espinar, Javier
2013-07-12T08:14:54Z
2013-07-12T08:14:54Z
2012-01
http://hdl.handle.net/10256/8026
Proving the incentive compatibility of an auction mechanism is always a hard but essential work in auction mechanism design. In this paper we discuss the strategy proofness of a multi-attribute auction mechanism using three different approaches: the analysis of the mechanism properties, a mathematical analysis to determine if agents can take advantage of dishonest strategies and the use of simulations to study the behaviour of bidders
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-07-12T08:14:35Z
No. of bitstreams: 2
license_rdf: 1232 bytes, checksum: b51f25f83cca752633b6ec4c418dbcc7 (MD5)
Report IIiA 12-01-RR.pdf: 172553 bytes, checksum: 0ec694b91232674ff72bf10467b6ad12 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-07-12T08:14:54Z (GMT) No. of bitstreams: 2
license_rdf: 1232 bytes, checksum: b51f25f83cca752633b6ec4c418dbcc7 (MD5)
Report IIiA 12-01-RR.pdf: 172553 bytes, checksum: 0ec694b91232674ff72bf10467b6ad12 (MD5)
Made available in DSpace on 2013-07-12T08:14:54Z (GMT). No. of bitstreams: 2
license_rdf: 1232 bytes, checksum: b51f25f83cca752633b6ec4c418dbcc7 (MD5)
Report IIiA 12-01-RR.pdf: 172553 bytes, checksum: 0ec694b91232674ff72bf10467b6ad12 (MD5)
Previous issue date: 2012-01
This research project has been partially funded through the projects labeled TIN2008-
04547 and DPI2011-24929, and BR10/18 Scholarship of the University of Girona granted
to Albert Pla
application/pdf
eng
Universitat de Girona. Institut d'Informàtica i Aplicacions
info:eu-repo/grantAgreement/MICINN//DPI2011-24929/ES/I-WMS: METODOS DE SOPORTE A LA DECISION PARA SISTEMAS DE GESTION DE WORKFLOWS FLEXIBLES/
info:eu-repo/grantAgreement/MICINN//TIN2008-04547/ES/SUBASTAS ROBUSTAS MEDIANTE LA INCORPORACION DE TECNICAS DE SATISFACTIBILIDAD MODULO TEORIAS/
Informes de recerca (IIIA)
I-WMS: METODOS DE SOPORTE A LA DECISION PARA SISTEMAS DE GESTION DE WORKFLOWS FLEXIBLES
SUBASTAS ROBUSTAS MEDIANTE LA INCORPORACION DE TECNICAS DE SATISFACTIBILIDAD MODULO TEORIAS
Attribution-NonCommercial-NoDerivs 3.0 Spain
http://creativecommons.org/licenses/by-nc-nd/3.0/es/
info:eu-repo/semantics/openAccess
Subhastes -- Models matemàtics
Auctions -- Mathematical models
Proving Incentive Compatibility in Multi-Attribute Auctions
info:eu-repo/semantics/report
rc1
ORIGINAL
Report IIiA 12-01-RR.pdf
Report IIiA 12-01-RR.pdf
application/pdf
172553
https://dugi-doc.udg.edu/bitstream/10256/8026/1/Report+IIiA+12-01-RR.pdf
0ec694b91232674ff72bf10467b6ad12
MD5
1
CC-LICENSE
license_rdf
license_rdf
application/rdf+xml; charset=utf-8
1232
https://dugi-doc.udg.edu/bitstream/10256/8026/2/license_rdf
b51f25f83cca752633b6ec4c418dbcc7
MD5
2
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8026/3/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
3
THUMBNAIL
Report IIiA 12-01-RR.pdf.jpg
Report IIiA 12-01-RR.pdf.jpg
Generated Thumbnail
image/jpeg
1522
https://dugi-doc.udg.edu/bitstream/10256/8026/4/Report+IIiA+12-01-RR.pdf.jpg
3129fd9d5f272c7b538df97b3688b274
MD5
4
10256/8026
oai:dugi-doc.udg.edu:10256/8026
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/82122021-07-01T10:18:18Zcom_10256_1004com_10256_2943col_10256_1544col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Bastida, Imma
Planella Morató, Jesús
Roget, Elena
Guillén, Jorge
Puig, Pere
Sánchez Martín, Xavier
Ministerio de Ciencia e Innovación (Espanya)
2013-09-16T07:05:44Z
2013-09-16T07:05:44Z
2012
0214-8358
http://hdl.handle.net/10256/8212
http://dx.doi.org/10.3989/scimar.03605.18A
016067
1886-8134
Turbidity, CTD, and temperature and shear microstructure data recorded along a 25 km transect from 8 to 69 m depth across the Ebro Delta shelf (northwestern Mediterranean) are presented. The water column was stratified and prior to the campaign the regional southwest flow was measured to have superimposed diurnal and sub-inertial components. The bottom boundary layer (BBL) at all stations deeper than 20 m has a vertical extension of 3 to 9 m, increasing to 12 m at the deeper stations and even to 14 m at a station at 45 m depth outside the studied transect. The law of the wall was identified at almost all stations with an extension ranging from 40% to 100% of that of the BBL. At some stations high dissipation rates were found in the interior of the bottom layer. The study shows the correspondence between the turbidity contents and the local mixing processes at the BBL and suggests that sub-critical reflection of internal waves could play an important role in boundary mixing. Our data also suggest that during the campaign, after two consecutive short episodes of high winds, the first baroclinic mode shifted to the second one
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-09-16T07:05:24Z
No. of bitstreams: 2
license_rdf: 1379 bytes, checksum: 2ec19e2cd5e06e8dec0dc770ef13e68a (MD5)
Mixing-dynamics.pdf: 2135307 bytes, checksum: 44b90d2b332ffb2c26c3dc8bfc7a522f (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-09-16T07:05:44Z (GMT) No. of bitstreams: 2
license_rdf: 1379 bytes, checksum: 2ec19e2cd5e06e8dec0dc770ef13e68a (MD5)
Mixing-dynamics.pdf: 2135307 bytes, checksum: 44b90d2b332ffb2c26c3dc8bfc7a522f (MD5)
Made available in DSpace on 2013-09-16T07:05:44Z (GMT). No. of bitstreams: 2
license_rdf: 1379 bytes, checksum: 2ec19e2cd5e06e8dec0dc770ef13e68a (MD5)
Mixing-dynamics.pdf: 2135307 bytes, checksum: 44b90d2b332ffb2c26c3dc8bfc7a522f (MD5)
Previous issue date: 2012
We are grateful to M. Demestre for allowing us to be on board the Garcia de Cid within the context of the VEDA Project and the EU RESPONSE (Q5RS-2002-
00787) project and for facilitating the measurements. We are also very grateful to the editor and the anonymous reviewers, whose comments have helped to improve the first version of the paper. I. Lozovatsky and M Muñiz collaborated on the data analysis at an initial stage of this work. This paper was finished in accordance with the objectives of the project FIS2008-03608 funded by the Ministry of Science and Innovation of the Spanish Government and within the framework of the CLIMSEAS Project (FP7-PEOPLE-2009-IRSES N. 247512)
application/pdf
eng
Consejo Superior de Investigaciones Científicas
info:eu-repo/grantAgreement/MICINN//FIS2008-03608/ES/MEDIDAS PARA LA DESCRIPCION Y MODELIZACION DE LA MEZCLA TURBULENTA/
Reproducció digital del document publicat a: http://dx.doi.org/10.3989/scimar.03605.18A
Scientia Marina, 2012, vol. 76, núm. S1, p. 31-43
Articles publicats (D-F)
info:eu-repo/grantAgreement/EC/FP7/247512/EU/Climate Change and Inland Seas: Phenomena, Feedback and Uncertainties. The Physical Science Basis./CLIMSEAS
FP7
CLIMSEAS
MEDIDAS PARA LA DESCRIPCION Y MODELIZACION DE LA MEZCLA TURBULENTA
Attribution-NonCommercial 3.0 Spain
http://creativecommons.org/licenses/by-nc/3.0/es/
info:eu-repo/semantics/openAccess
Fons marins
Ocean bottom
Turbulència -- Mesurament
Turbulence -- Measurement
Dinàmica de fluids
Fluid dynamics
Mixing dynamics on the inner shelf of the Ebro Delta
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
Mixing-dynamics.pdf
Mixing-dynamics.pdf
application/pdf
2135307
https://dugi-doc.udg.edu/bitstream/10256/8212/1/Mixing-dynamics.pdf
44b90d2b332ffb2c26c3dc8bfc7a522f
MD5
1
CC-LICENSE
license_rdf
license_rdf
application/rdf+xml; charset=utf-8
1379
https://dugi-doc.udg.edu/bitstream/10256/8212/2/license_rdf
2ec19e2cd5e06e8dec0dc770ef13e68a
MD5
2
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8212/3/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
3
THUMBNAIL
Mixing-dynamics.pdf.jpg
Mixing-dynamics.pdf.jpg
Generated Thumbnail
image/jpeg
2519
https://dugi-doc.udg.edu/bitstream/10256/8212/4/Mixing-dynamics.pdf.jpg
9c715c1d506e076eae8e37b1cb93b6da
MD5
4
10256/8212
oai:dugi-doc.udg.edu:10256/8212
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/83012024-01-24T15:29:16Zcom_10256_1516com_10256_2943col_10256_1535col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Badia Brea, Maria Elena
Pinart Nadal, Elisabeth
Briz González, Maria Dolors
Pastor, Luis Miguel
Sancho Badell, Sílvia
Garcia Gil, Núria
Bassols Casadevall, Judit
Kádár García, Elisabeth
Pruneda Sais, Anna
Bussalleu Muntada, Eva
Yeste Oliveras, Marc
Bonet, Sergi
Ministerio de Ciencia y Tecnología (Espanya)
2013-09-25T12:24:08Z
2013-09-25T12:24:08Z
2005
http://hdl.handle.net/10256/8301
http://dx.doi.org/10.4081/937
008055
2038-8306
The present study describes, for the first time, the glycosidic content of boar bulbourethral glands using lectin histochemistry. Fourteen horseradish peroxidase- or digoxigeninlabelled lectins with different carbohydrate specificities were used in samples obtained from 3 healthy Landrace boars. The results obtained indicate that endpiece and duct cells synthesize and secrete mainly O-glycoproteins with α- and β-D-N-acetylgalactosamine, β -D-galactose-b(1→ 3)-D-Nacetylgalactosamine, D-N-acetylglucosamine and neuraminic acid residues. Glycoproteins secreted by bulbourethral glands have a role in the protection and lubrication of the urethra. In addition, they may be also involved in the regulation of the sperm metabolic activity and in the maintenance of the structural integrity of acrosomal and plasma membranes
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-09-25T12:23:47Z
No. of bitstreams: 2
license_rdf: 1379 bytes, checksum: 2ec19e2cd5e06e8dec0dc770ef13e68a (MD5)
LectinHistochemistry.pdf: 183696 bytes, checksum: 232066e59254595ec85ab37f239c269c (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-09-25T12:24:07Z (GMT) No. of bitstreams: 2
license_rdf: 1379 bytes, checksum: 2ec19e2cd5e06e8dec0dc770ef13e68a (MD5)
LectinHistochemistry.pdf: 183696 bytes, checksum: 232066e59254595ec85ab37f239c269c (MD5)
Made available in DSpace on 2013-09-25T12:24:08Z (GMT). No. of bitstreams: 2
license_rdf: 1379 bytes, checksum: 2ec19e2cd5e06e8dec0dc770ef13e68a (MD5)
LectinHistochemistry.pdf: 183696 bytes, checksum: 232066e59254595ec85ab37f239c269c (MD5)
Previous issue date: 2005
This work was supported in part by grant FPUAP99 40325284 awarded to E.Badia.This research was further supported by projects AGL2002-01924,
RZ02-013 and RZ03-29 with funds provided by the “Ministerio de Ciencia y Tecnología”-MCYT (Spanish Government), and by project 2001SGR-
00294 from the “Direcció General de Recerca” (Autonomous Government of Catalonia)
application/pdf
eng
PAGEPress
MICYT/PN 2002-2005/AGL2002-01924
Reproducció digital del document publicat a: http://www.ejh.it/index.php/ejh/article/view/937
European Journal of Histochemistry, 2005, vol. 49, núm. 2, p. 25-32
Articles publicats (D-B)
Attribution-NonCommercial 3.0 Spain
http://creativecommons.org/licenses/by-nc/3.0/es/
info:eu-repo/semantics/openAccess
Lectines
Lectins
Histoquímica
Histochemistry
Porcs
Swine
Lectin histochemistry of the boar bulbourethral glands
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
LectinHistochemistry.pdf
LectinHistochemistry.pdf
application/pdf
183696
https://dugi-doc.udg.edu/bitstream/10256/8301/1/LectinHistochemistry.pdf
232066e59254595ec85ab37f239c269c
MD5
1
CC-LICENSE
license_rdf
license_rdf
application/rdf+xml; charset=utf-8
1379
https://dugi-doc.udg.edu/bitstream/10256/8301/2/license_rdf
2ec19e2cd5e06e8dec0dc770ef13e68a
MD5
2
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8301/3/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
3
THUMBNAIL
LectinHistochemistry.pdf.jpg
LectinHistochemistry.pdf.jpg
Generated Thumbnail
image/jpeg
3122
https://dugi-doc.udg.edu/bitstream/10256/8301/4/LectinHistochemistry.pdf.jpg
cae4bc52abe690d03db1858f4bc5137f
MD5
4
10256/8301
oai:dugi-doc.udg.edu:10256/8301
2024-01-24 16:29:16.621
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/83822021-07-01T10:18:18Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Poater Teixidor, Albert
Solà i Puig, Miquel
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2013-10-01T06:36:10Z
2013-10-01T06:36:10Z
2013
http://hdl.handle.net/10256/8382
http://dx.doi.org/10.3762/bjoc.9.63
017517
1860-5397
In this work we analyze the whole molecular mechanism for intramolecular aromatic hydroxylation through O2 activation by a Schiff hexaazamacrocyclic dicopper(I) complex, [CuI2(bsH2m)]2+. Assisted by DFT calculations, we unravel the reaction pathway for the overall intramolecular aromatic hydroxylation, i.e., from the initial O2 reaction with the dicopper(I) species to first form a
CuICuII-superoxo species, the subsequent reaction with the second CuI center to form a μ-η2:η2-peroxo-CuII 2 intermediate, the
concerted peroxide O–O bond cleavage and C–O bond formation, followed finally by a proton transfer to an alpha aromatic carbon that immediately yields the product [CuII 2(bsH2m-O)(μ-OH)]2+
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-10-01T06:35:41Z
No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
Complete-intramolecular.pdf: 2260949 bytes, checksum: 06b708e67b0e6c7b96fd2c17d3b92aed (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-10-01T06:36:10Z (GMT) No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
Complete-intramolecular.pdf: 2260949 bytes, checksum: 06b708e67b0e6c7b96fd2c17d3b92aed (MD5)
Made available in DSpace on 2013-10-01T06:36:10Z (GMT). No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
Complete-intramolecular.pdf: 2260949 bytes, checksum: 06b708e67b0e6c7b96fd2c17d3b92aed (MD5)
Previous issue date: 2013
application/pdf
eng
Beilstein-Institut
info:eu-repo/grantAgreement/MICINN//RYC-2009-05226/ES/RYC-2009-05226/
info:eu-repo/grantAgreement/MICINN//CTQ2011-23156/ES/AVANCES EN CATALISIS Y AROMATICIDAD/
AGAUR/2009-2014/2009 SGR-637
AGAUR/2011BE100793
Reproducció digital del document publicat a: http://dx.doi.org/10.3762/bjoc.9.63
Beilstein Journal of Organic Chemistry, 2013, núm. 9, p. 585-593
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/293900/EU/Ab initio Statics and Molecular Dynamics Simulation of Olefin Metathesis Catalysts for pharmacological purposes/COMPUTEDRUG
FP7
-1
COMPUTEDRUG
-1
RYC-2009-05226
AVANCES EN CATALISIS Y AROMATICIDAD
Attribution 3.0 Spain
http://creativecommons.org/licenses/by/3.0/es/
info:eu-repo/semantics/openAccess
Compostos aromàtics
Aromatic compounds
Enllaços químics
Chemical bonds
Química quàntica
Quantum chemistry
Complete σ* intramolecular aromatic hydroxylation mechanism through O2 activation by a Schiff base macrocyclic dicopper (I) complex
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
Complete-intramolecular.pdf
Complete-intramolecular.pdf
application/pdf
2260949
https://dugi-doc.udg.edu/bitstream/10256/8382/1/Complete-intramolecular.pdf
06b708e67b0e6c7b96fd2c17d3b92aed
MD5
1
CC-LICENSE
license_rdf
license_rdf
application/rdf+xml; charset=utf-8
1370
https://dugi-doc.udg.edu/bitstream/10256/8382/2/license_rdf
ac86fe33011bda956ed9b032abf4d402
MD5
2
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8382/3/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
3
THUMBNAIL
Complete-intramolecular.pdf.jpg
Complete-intramolecular.pdf.jpg
Generated Thumbnail
image/jpeg
2720
https://dugi-doc.udg.edu/bitstream/10256/8382/4/Complete-intramolecular.pdf.jpg
c6fdf3853cf76781a2b83684a0a2be99
MD5
4
10256/8382
oai:dugi-doc.udg.edu:10256/8382
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/84022021-07-01T10:18:18Zcom_10256_1528com_10256_2943col_10256_1553col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Kutsia, Temur
Levy, Jordi
Villaret i Ausellé, Mateu
Ministerio de Economía y Competitividad (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2013-10-03T09:58:29Z
2013-10-03T09:58:29Z
2011
1868-8969
http://hdl.handle.net/10256/8402
http://dx.doi.org/10.4230/LIPIcs.RTA.2011.219
017114
We study anti-unification for unranked terms and hedges that may contain term and hedge variables. The anti-unification problem of two hedges S1 and S2 is concerned with finding their generalization, a hedge ǭ such that both S1 and S2 are instances of ǭ under some substitutions. Hedge variables help to fill in gaps in generalizations, while term variables abstract single (sub)terms with different top function symbols. First, we design a complete and minimal algorithm to compute least general generalizations. Then, we improve the efficiency of the algorithm by restrictingpossible alternatives permitted in the generalizations. The restrictions are imposed with the help of a rigidity function that is a parameter in the improved algorithm and selects certain common subsequences from the hedges to be generalized. Finally, we indicate a possible application of the algorithm in software engineering
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-10-03T09:58:03Z
No. of bitstreams: 2
license_rdf: 1232 bytes, checksum: b51f25f83cca752633b6ec4c418dbcc7 (MD5)
Anti-Unification.pdf: 536744 bytes, checksum: dd86b5dda0b8c0dfd798e21c7f60eda3 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-10-03T09:58:29Z (GMT) No. of bitstreams: 2
license_rdf: 1232 bytes, checksum: b51f25f83cca752633b6ec4c418dbcc7 (MD5)
Anti-Unification.pdf: 536744 bytes, checksum: dd86b5dda0b8c0dfd798e21c7f60eda3 (MD5)
Made available in DSpace on 2013-10-03T09:58:29Z (GMT). No. of bitstreams: 2
license_rdf: 1232 bytes, checksum: b51f25f83cca752633b6ec4c418dbcc7 (MD5)
Anti-Unification.pdf: 536744 bytes, checksum: dd86b5dda0b8c0dfd798e21c7f60eda3 (MD5)
Previous issue date: 2011
This research has been partially supported by the Spanish Ministerio de Economa y Competitividad under the projects HeLo (TIN2012-33042) and TASSAT (TIN2010-20967-C04-01), by the EC FP6 for Integrated Infrastructures Initiatives under the project SCIEnce (contract No. 026133), by the Austrian Science Fund (FWF)
under the project SToUT (P 24087-N18), and by the Generalitat de Catalunya under the grant AGAUR 2009-SGR-1434
application/pdf
eng
Dagstuhl Publishing
info:eu-repo/grantAgreement/MINECO//TIN2012-33042/ES/HERRAMIENTAS LOGICAS PARA PROBLEMAS COMBINATORIOS/
info:eu-repo/grantAgreement/MICINN//TIN2010-20967-C04-01/ES/TASSAT: TEORIA, APLICACIONES Y SINERGIA EN SAT, CSP Y FDL/
AGAUR/2009-2013/2009 SGR-1434
Reproducció digital del document publicat a: http://dx.doi.org/10.4230/LIPIcs.RTA.2011.219
Leibniz International Proceedings in Informatics (LIPPICS) : 22nd International Conference on Rewriting Techniques and Applications (RTA'11) : May 30 - June 1, 2011, Novi Sad, Serbia, 2011, vol. 10, P. 219-234
Articles publicats (D-IMA)
HERRAMIENTAS LOGICAS PARA PROBLEMAS COMBINATORIOS
TASSAT: TEORIA, APLICACIONES Y SINERGIA EN SAT, CSP Y FDL
Attribution-NonCommercial-NoDerivs 3.0 Spain
http://creativecommons.org/licenses/by-nc-nd/3.0/es/
info:eu-repo/semantics/openAccess
Algorismes computacionals
Computer algorithms
Lògica matemàtica
Logic, Symbolic and mathematical
Complexitat computacional
Computational complexity
Anti-Unification for Unranked Terms and Hedges
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
Anti-Unification.pdf
Anti-Unification.pdf
application/pdf
536744
https://dugi-doc.udg.edu/bitstream/10256/8402/1/Anti-Uni%EF%AC%81cation.pdf
dd86b5dda0b8c0dfd798e21c7f60eda3
MD5
1
CC-LICENSE
license_rdf
license_rdf
application/rdf+xml; charset=utf-8
1232
https://dugi-doc.udg.edu/bitstream/10256/8402/2/license_rdf
b51f25f83cca752633b6ec4c418dbcc7
MD5
2
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8402/3/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
3
THUMBNAIL
Anti-Unification.pdf.jpg
Anti-Unification.pdf.jpg
Generated Thumbnail
image/jpeg
2411
https://dugi-doc.udg.edu/bitstream/10256/8402/4/Anti-Uni%EF%AC%81cation.pdf.jpg
d0986b5faf8609d9490182581174af30
MD5
4
10256/8402
oai:dugi-doc.udg.edu:10256/8402
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/84082021-07-01T10:18:18Zcom_10256_1531com_10256_2943col_10256_1551col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Olivella Costa, Àngels
Río, J.C. del
Ministerio de Ciencia e Innovación (Espanya)
2013-10-03T11:50:49Z
2013-10-03T11:50:49Z
2011
1930-2126
http://hdl.handle.net/10256/8408
015136
In previous studies we found significant differences in the suberin content with respect to the bark layer of Quercus suber samples. In this study the monomer composition of suberin from the two bark layers (i.e., back and cork) of three provenances (Extremadura, Castile-la Mancha, and Portugal) was investigated using pyrolysis in the presence of tetramethylammonium hydroxide (TMAH) with gas chromatography-mass spectrometry (GC/MS). The major compounds released were octadec-9-enedioic acid, docosanedioic acid, and 9,10-epoxyocta-decanedioic acid with mean values of 17%, 14.5%, and 11%, respectively. The former is more abundant in back than in cork, and the latter in cork than in back with mean differences, in terms of percentages, between the back and cork of 4.3 ± 0.81 and 2.2 ± 0.52, respectively
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-10-03T11:50:26Z
No. of bitstreams: 1
SuberinComposition.pdf: 292829 bytes, checksum: d0f741b7ba41e1b4a0719a30375d3b9c (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-10-03T11:50:49Z (GMT) No. of bitstreams: 1
SuberinComposition.pdf: 292829 bytes, checksum: d0f741b7ba41e1b4a0719a30375d3b9c (MD5)
Made available in DSpace on 2013-10-03T11:50:49Z (GMT). No. of bitstreams: 1
SuberinComposition.pdf: 292829 bytes, checksum: d0f741b7ba41e1b4a0719a30375d3b9c (MD5)
Previous issue date: 2011
This research was funded by the Spanish Ministry of Science and Innovation as part of the project CTM CTM2010-15185
application/pdf
eng
North Carolina State University
info:eu-repo/grantAgreement/MICINN//CTM2010-15185/ES/INVESTIGACION DEL PAPEL DE LOS BIOPOLIMEROS EN LA SORCION DE CONTAMINANTES ORGANICOS. ESTUDIO DEL CORCHO COMO NUEVO BIOSORBENTE./
Reproducció digital del document publicat a: http://ojs.cnr.ncsu.edu/index.php/BioRes/article/view/BioRes_06_4_4936_Olivella_delRio_Suberin_Composition_Bark_Layers
© BioResources, 2011, vol. 6, núm. 6, p. 4936-4941
Articles publicats (D-Q)
INVESTIGACION DEL PAPEL DE LOS BIOPOLIMEROS EN LA SORCION DE CONTAMINANTES ORGANICOS. ESTUDIO DEL CORCHO COMO NUEVO BIOSORBENTE.
Tots els drets reservats
info:eu-repo/semantics/openAccess
Suro -- Anàlisi
Cork -- Analysis
Suberin Composition from different Bark Layers of Quercus Suber L. by py-gc/ms in the Presence of Tetramethylammonium Hydroxide (TMAH)
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
SuberinComposition.pdf
SuberinComposition.pdf
application/pdf
292829
https://dugi-doc.udg.edu/bitstream/10256/8408/1/SuberinComposition.pdf
d0f741b7ba41e1b4a0719a30375d3b9c
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8408/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
SuberinComposition.pdf.jpg
SuberinComposition.pdf.jpg
Generated Thumbnail
image/jpeg
3324
https://dugi-doc.udg.edu/bitstream/10256/8408/3/SuberinComposition.pdf.jpg
f8fe07265a18f08a34ef1f2605dcae06
MD5
3
10256/8408
oai:dugi-doc.udg.edu:10256/8408
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
Q29uZGljaW9ucyBkZWwgZGlww7JzaXQKCgpQZXIgcG9kZXIgcHVibGljYXIgZWwgZG9jdW1lbnQgYWwgRFVHaSBlbnMgY2FsIHVuYSBhdXRvcml0emFjacOzIHZvc3RyYSBwZXIgZGlmb25kcmUsIHB1YmxpY2FyIG8gY29tdW5pY2FyIGVsIHRleHQgZW4gbGVzIGNvbmRpY2lvbnMgc2Vnw7xlbnRzOgoKCi0gQXV0b3JpdHpvIGEgbGEgVW5pdmVyc2l0YXQgZGUgR2lyb25hIGEgZGlmb25kcmUsIHB1YmxpY2FyIG8gY29tdW5pY2FyIGVscyBkb2N1bWVudHMsIGRlIGZvcm1hIMOtbnRlZ3JhIG8gcGFyY2lhbCwgc2Vuc2Ugb2J0ZW5pciBjYXAgYmVuZWZpY2kgY29tZXJjaWFsLCDDum5pY2FtZW50IGFtYiBmaW5hbGl0YXRzIGRlIHJlY2VyY2EgaSBzdXBvcnQgbyBpbOKAomx1c3RyYWNpw7MgZGUgbGEgZG9jw6huY2lhLCBtaXRqYW7Dp2FudCBsYSBpbmNvcnBvcmFjacOzIGRlbHMgZG9jdW1lbnRzIGEgdW5hIGJhc2UgZGUgZGFkZXMgZWxlY3Ryw7JuaWNhIGTigJlhY2PDqXMgb2JlcnQuCgoKUGVyIGEgYXF1ZXN0ZXMgZmluYWxpdGF0cyBjZWRlaXhvIGRlIGZvcm1hIG5vIGV4Y2x1c2l2YSwgc2Vuc2UgbMOtbWl0IHRlbXBvcmFsIG5pIHRlcnJpdG9yaWFsLCBlbHMgZHJldHMgZOKAmWV4cGxvdGFjacOzIHF1ZSBlbSBjb3JyZXNwb25lbiBjb20gYSBhdXRvci9hLgoKCi0gQXV0b3JpdHpvIGEgbGEgVW5pdmVyc2l0YXQgZGUgR2lyb25hIGxhIGPDsnBpYSBkZWxzIGRvY3VtZW50cyBlbiB1biBhbHRyZSBzdXBvcnQsIGFkYXB0YXItbG9zIG8gdHJhbnNmb3JtYXItbG9zIGFtYiBmaW5hbGl0YXRzIGRlIGNvbnNlcnZhY2nDsyBvIGRpZnVzacOzLCBpIGzigJlhY29yZCBhbWIgdGVyY2VyZXMgcGVyc29uZXMgcGVyIHJlYWxpdHphciBhcXVlc3RhIGNvbnNlcnZhY2nDsyBpIGRpZnVzacOzIHJlc3BlY3RhbnQgbGEgY2Vzc2nDsyBkZSBkcmV0cyBxdWUgYXJhIGVmZWN0dW8uCgoKLSBFbSByZXNlcnZvIGxhIHJlc3RhIGRlIGRyZXRzIGFscyBxdWFscyBubyBlcyBmYSByZWZlcsOobmNpYSBlbiBlbCBwcmVzZW50IGRvY3VtZW50LgoKCkxhIFVkRyBhZ3JhZWl4IGxhIHZvc3RyYSBjb2zigKJsYWJvcmFjacOzLgo=
oai:dugi-doc.udg.edu:10256/84562021-07-01T10:18:18Zcom_10256_1004com_10256_2943col_10256_1544col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Sánchez Lorenzo, Arturo
Laux, P.
Hendricks Franssen, H.-J
Calbó Angrill, Josep
Vogl, S.
Georgoulias, A.K.
Quaas, J.
Ministerio de Ciencia e Innovación (Espanya)
2013-10-16T12:55:16Z
2013-10-16T12:55:16Z
2012
1680-7316
http://hdl.handle.net/10256/8456
http://dx.doi.org/10.5194/acp-12-5755-2012
017148
1680-7324
Several studies have claimed to have found significant weekly cycles of meteorological variables appearing over large domains, which can hardly be related to urban effects exclusively. Nevertheless, there is still an ongoing scientific debate whether these large-scale weekly cycles exist or not, and some other studies fail to reproduce them with statistical significance. In addition to the lack of the positive proof for the existence of these cycles, their possible physical explanations have been controversially discussed during the last years. In this work we review the main results about this topic published during the recent two decades, including a summary of the existence or non-existence of significant weekly weather cycles across different regions of the world, mainly over the US, Europe and Asia. In addition,
some shortcomings of common statistical methods for analyzing weekly cycles are listed. Finally, a brief summary of supposed causes of the weekly cycles, focusing on the aerosol-cloud-radiation interactions and their impact on meteorological variables as a result of the weekly cycles of anthropogenic activities, and possible directions for future research, is presented
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-10-16T12:54:54Z
No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
AssessingLarge-scale.pdf: 347628 bytes, checksum: 95de6c8db22c89591da6daae9fa04772 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-10-16T12:55:16Z (GMT) No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
AssessingLarge-scale.pdf: 347628 bytes, checksum: 95de6c8db22c89591da6daae9fa04772 (MD5)
Made available in DSpace on 2013-10-16T12:55:16Z (GMT). No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
AssessingLarge-scale.pdf: 347628 bytes, checksum: 95de6c8db22c89591da6daae9fa04772 (MD5)
Previous issue date: 2012
This work was partially supported by the Spanish Ministry of Science and Innovation project NUCLIERSOL (CGL2010-18546). Arturo Sanchez-Lorenzo was granted by a postdoctoral position funded by the government of Catalonia (2009 BP-A 00035).
application/pdf
eng
European Geosciences Union (EGU), Copernicus Publications
info:eu-repo/grantAgreement/MICINN//CGL2010-18546/ES/LAS NUBES Y SUS EFECTOS SOBRE LA RADIACION: DEL ESTUDIO DE SITUACIONES A ESCALA LOCAL AL ANALISIS CLIMATOLOGICO DE ALCANCE GLOBAL. INTERACCIONES CON EL AEROSOL ATMOSFERICO/
Reproducció digital del document publicat a: http://dx.doi.org/10.5194/acp-12-5755-2012
Atmospheric Chemistry and Physics, 2012, vol. 12, p. 5755-5771
Articles publicats (D-F)
LAS NUBES Y SUS EFECTOS SOBRE LA RADIACION: DEL ESTUDIO DE SITUACIONES A ESCALA LOCAL AL ANALISIS CLIMATOLOGICO DE ALCANCE GLOBAL. INTERACCIONES CON EL AEROSOL ATMOSFERICO
Attribution 3.0 Spain
http://creativecommons.org/licenses/by/3.0/es/
info:eu-repo/semantics/openAccess
Meteorologia
Meteorology
Assessing large-scale weekly cycles in meteorological variables: a review
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
AssessingLarge-scale.pdf
AssessingLarge-scale.pdf
application/pdf
347628
https://dugi-doc.udg.edu/bitstream/10256/8456/1/AssessingLarge-scale.pdf
95de6c8db22c89591da6daae9fa04772
MD5
1
CC-LICENSE
license_rdf
license_rdf
application/rdf+xml; charset=utf-8
1370
https://dugi-doc.udg.edu/bitstream/10256/8456/2/license_rdf
ac86fe33011bda956ed9b032abf4d402
MD5
2
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8456/3/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
3
THUMBNAIL
AssessingLarge-scale.pdf.jpg
AssessingLarge-scale.pdf.jpg
Generated Thumbnail
image/jpeg
3489
https://dugi-doc.udg.edu/bitstream/10256/8456/4/AssessingLarge-scale.pdf.jpg
72eeb2a5c7baa0917b04912062a03efd
MD5
4
10256/8456
oai:dugi-doc.udg.edu:10256/8456
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/84572021-07-01T10:18:18Zcom_10256_1004com_10256_2943col_10256_1544col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Sánchez Lorenzo, Arturo
Calbó Angrill, Josep
Wild, Martin
Ministerio de Ciencia e Innovación (Espanya)
2013-10-16T13:07:27Z
2013-10-16T13:07:27Z
2012
1814-9324
http://hdl.handle.net/10256/8457
http://dx.doi.org/10.5194/cp-8-1199-2012
017149
1814-9332
Visual observations of clouds have been performed since the establishment of meteorological observatories during the early instrumental period, and have become more systematic and reliable after the mid-19th century due to the establishment of the first national weather services. During the last decades a large number of studies have documented the trends of the total cloud cover (TCC) and cloudy types; most of these studies focus on the trends since the second half of the 20th century. Due to the lower reliability of former observations, and the fact that most of this data is not accessible in digital format, there is a lack of studies focusing on the trends of cloudiness since the mid-19th century. In the first part, this work attempts to review previous studies analyzing TCC changes with information covering at least the first half of the 20th century. Then, the study analyses a database of cloudiness observations in Southern Europe (Spain) since the second half of the 19th century. Specifically, monthly TCC series were reconstructed since 1866 by means of a so-called parameter of cloudiness, calculated from the number of cloudless and overcast days. These estimated TCC series show a high interannual and decadal correlation with the observed TCC series originally measured in
oktas. After assessing the temporal homogeneity of the estimated TCC series, the mean annual and seasonal series for the whole of Spain and several subregions were calculated. The mean annual TCC shows a general tendency to increase from the beginning of the series until the 1960s; at this point, the trend becomes negative. The linear trend for the annual mean series, estimated over the 1866–2010 period, is a highly remarkable (and statistically significant) increase of +0.44% per decade, which implies an overall increase of more than +6% during the analyzed period. These results are in lin with the majority of the trends observed in many areas of the world in previous studies, especially for the records before the 1950s when a widespread increase of TCC can been considered as a common feature
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-10-16T13:07:03Z
No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
IncreasingCloud.pdf: 1616276 bytes, checksum: b5ca9d1eac1f0809cfbab0853a9d1e80 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-10-16T13:07:27Z (GMT) No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
IncreasingCloud.pdf: 1616276 bytes, checksum: b5ca9d1eac1f0809cfbab0853a9d1e80 (MD5)
Made available in DSpace on 2013-10-16T13:07:27Z (GMT). No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
IncreasingCloud.pdf: 1616276 bytes, checksum: b5ca9d1eac1f0809cfbab0853a9d1e80 (MD5)
Previous issue date: 2012
This research was supported by the Spanish Ministry of Science and Innovation project NUCLIERSOL (CGL2010-18546). The first author was supported by a post-doctoral fellowship from the "Comissionat per a Universitats i Recerca del Departament d'Innovacio, Universitats i Empresa de la Generalitat de Catalunya" (2009 BP-A 00035)
application/pdf
eng
European Geosciences Union (EGU), Copernicus Publications
info:eu-repo/grantAgreement/MICINN//CGL2010-18546/ES/LAS NUBES Y SUS EFECTOS SOBRE LA RADIACION: DEL ESTUDIO DE SITUACIONES A ESCALA LOCAL AL ANALISIS CLIMATOLOGICO DE ALCANCE GLOBAL. INTERACCIONES CON EL AEROSOL ATMOSFERICO/
Reproducció digital del document publicat a: http://dx.doi.org/10.5194/cp-8-1199-2012
Climate of the Past, 2012, vol. 8, p.1199-1212
Articles publicats (D-F)
LAS NUBES Y SUS EFECTOS SOBRE LA RADIACION: DEL ESTUDIO DE SITUACIONES A ESCALA LOCAL AL ANALISIS CLIMATOLOGICO DE ALCANCE GLOBAL. INTERACCIONES CON EL AEROSOL ATMOSFERICO
Attribution 3.0 Spain
http://creativecommons.org/licenses/by/3.0/es/
info:eu-repo/semantics/openAccess
Meteorologia
Meteorology
Meteorologia -- Observacions
Meteorology -- Observations
Increasing cloud cover in the 20th century: review and new findings in Spain
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
IncreasingCloud.pdf
IncreasingCloud.pdf
application/pdf
1616276
https://dugi-doc.udg.edu/bitstream/10256/8457/1/IncreasingCloud.pdf
b5ca9d1eac1f0809cfbab0853a9d1e80
MD5
1
CC-LICENSE
license_rdf
license_rdf
application/rdf+xml; charset=utf-8
1370
https://dugi-doc.udg.edu/bitstream/10256/8457/2/license_rdf
ac86fe33011bda956ed9b032abf4d402
MD5
2
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8457/3/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
3
THUMBNAIL
IncreasingCloud.pdf.jpg
IncreasingCloud.pdf.jpg
Generated Thumbnail
image/jpeg
3451
https://dugi-doc.udg.edu/bitstream/10256/8457/4/IncreasingCloud.pdf.jpg
a6b68b3eb622509727ea8b87e4ea268a
MD5
4
10256/8457
oai:dugi-doc.udg.edu:10256/8457
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
Q29uZGljaW9ucyBkZWwgZGlww7JzaXQKCgpQZXIgcG9kZXIgcHVibGljYXIgZWwgZG9jdW1lbnQgYWwgRFVHaSBlbnMgY2FsIHVuYSBhdXRvcml0emFjacOzIHZvc3RyYSBwZXIgZGlmb25kcmUsIHB1YmxpY2FyIG8gY29tdW5pY2FyIGVsIHRleHQgZW4gbGVzIGNvbmRpY2lvbnMgc2Vnw7xlbnRzOgoKCi0gQXV0b3JpdHpvIGEgbGEgVW5pdmVyc2l0YXQgZGUgR2lyb25hIGEgZGlmb25kcmUsIHB1YmxpY2FyIG8gY29tdW5pY2FyIGVscyBkb2N1bWVudHMsIGRlIGZvcm1hIMOtbnRlZ3JhIG8gcGFyY2lhbCwgc2Vuc2Ugb2J0ZW5pciBjYXAgYmVuZWZpY2kgY29tZXJjaWFsLCDDum5pY2FtZW50IGFtYiBmaW5hbGl0YXRzIGRlIHJlY2VyY2EgaSBzdXBvcnQgbyBpbOKAomx1c3RyYWNpw7MgZGUgbGEgZG9jw6huY2lhLCBtaXRqYW7Dp2FudCBsYSBpbmNvcnBvcmFjacOzIGRlbHMgZG9jdW1lbnRzIGEgdW5hIGJhc2UgZGUgZGFkZXMgZWxlY3Ryw7JuaWNhIGTigJlhY2PDqXMgb2JlcnQuCgoKUGVyIGEgYXF1ZXN0ZXMgZmluYWxpdGF0cyBjZWRlaXhvIGRlIGZvcm1hIG5vIGV4Y2x1c2l2YSwgc2Vuc2UgbMOtbWl0IHRlbXBvcmFsIG5pIHRlcnJpdG9yaWFsLCBlbHMgZHJldHMgZOKAmWV4cGxvdGFjacOzIHF1ZSBlbSBjb3JyZXNwb25lbiBjb20gYSBhdXRvci9hLgoKCi0gQXV0b3JpdHpvIGEgbGEgVW5pdmVyc2l0YXQgZGUgR2lyb25hIGxhIGPDsnBpYSBkZWxzIGRvY3VtZW50cyBlbiB1biBhbHRyZSBzdXBvcnQsIGFkYXB0YXItbG9zIG8gdHJhbnNmb3JtYXItbG9zIGFtYiBmaW5hbGl0YXRzIGRlIGNvbnNlcnZhY2nDsyBvIGRpZnVzacOzLCBpIGzigJlhY29yZCBhbWIgdGVyY2VyZXMgcGVyc29uZXMgcGVyIHJlYWxpdHphciBhcXVlc3RhIGNvbnNlcnZhY2nDsyBpIGRpZnVzacOzIHJlc3BlY3RhbnQgbGEgY2Vzc2nDsyBkZSBkcmV0cyBxdWUgYXJhIGVmZWN0dW8uCgoKLSBFbSByZXNlcnZvIGxhIHJlc3RhIGRlIGRyZXRzIGFscyBxdWFscyBubyBlcyBmYSByZWZlcsOobmNpYSBlbiBlbCBwcmVzZW50IGRvY3VtZW50LgoKCkxhIFVkRyBhZ3JhZWl4IGxhIHZvc3RyYSBjb2zigKJsYWJvcmFjacOzLgo=
oai:dugi-doc.udg.edu:10256/84582021-07-01T10:18:18Zcom_10256_1004com_10256_2943col_10256_1544col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Forcat Torras, Francesc
Roget, Elena
Figueroa Rodríguez, Jesús Manuel
Sánchez Martín, Xavier
Ministerio de Ciencia e Innovación (Espanya)
Ministerio de Ciencia y Tecnología (Espanya)
2013-10-17T06:36:56Z
2013-10-17T06:36:56Z
2011
0213-8409
http://hdl.handle.net/10256/8458
https://doi.org/10.23818/limn.30.04
015211
The Princeton Ocean Model was applied to the Sau Reservoir, a medium-sized Mediterranean reservoir (5.7 km2) located in
Catalonia, Spain, during the summer season, when the water column is continuously stratified and forced by a breeze regime
with velocities of up to 3-4 m/s. Based on our simulations, the internal wave field has been analysed and the numerical results compared with the field data previously analysed by other authors. The model adequately reproduces all the significant modes observed. The simulations show the importance of rotational modes on the internal wave field. The Burger number S for all rotating internal waves is on the order of 10−1, and the internal Rossby radius R is on the order of 102 m, that is, smaller than the width of the lacustrine area of the reservoir (103 m). Specifically, two rotating third vertical modes were found during the analysed period: the first, a 24-hour period, was forced by the wind and the phase rotated clockwise; and the second, a 12-hour period, can be interpreted as a second azimuthal horitzontal mode of a Poincaré wave. A second vertical mode of 8 hours was observed to rotate counter clockwise, although in this case the Earth’s rotation appears not to have been of importance because the same results could be obtained without taking into account the Coriolis force. Finally, two first vertical modes, one of 6 hours and the other of 5 hours, were observed, although with no rotational behaviour. These modes correspond, respectively, to the first and second horizontal stationary modes. Further analysis of the simulated velocities shows the existence of a net clockwise flow along the shore as a consequence of the dominant mode of 24 hours, with a mean velocity of 0.5 m/s that reverses at a distance of about 300 m from the coast. Preliminary results based on the simulated velocity field predict horizontal trajectories of passive particles of up to 1 km per day and vertical displacements of up to 5 m across the entire water column
El Princeton Ocean Model ha sido aplicado al embalse de Sau, un embalse Mediterráneo de tamaño mediano (5.7 km2),
situado en Cataluña, España, durante la estación de verano cuando la columna de agua esta estratificada de forma continua y forzada por un régimen de brisa con velocidades de hasta 3-4 m/s. Basándonos en estas simulaciones hemos analizado el campo de ondas internas y comparado los resultados numéricos con datos experimentales ya analizados por otros autores. El modelo reproduce adecuadamente todos los modos significantes observados. Las simulaciones muestran la importancia de los modos rotacionales en el campo de ondas internas. El número de Burger S para cada una de las ondas internas rotacionales es del orden de 10−1 y el radio de Rossby interno R del orden de 102 m, más pequeño que la anchura de la zona lacustre del embalse (103m). Más precisamente, durante el periodo analizado, se encuentran dos terceros modos verticales con rotación: el primero de 24 horas era forzado por el viento y con rotación horaria de la fase, y el segundo de 12 horas es interpretado como una onda de Potincare del segundo modo horizontal acimutal. También, se observa un segundo modo vertical de 8 horas con rotación anti horaria, aunque en este caso la rotación terrestre no tiene importancia porque los mismos resultados pueden ser obtenidos sin tener en cuenta la fuerza de Coriolis. Finalmente, son observados dos primeros modos verticales, uno de 6 h y otro de 5 h, aunque sin comportamiento rotacional. Estos modos corresponden al primer y al segundo modos estacionario horizontal, respectivamente. Un análisis ulterior de las velocidades simuladas con el POM muestran la existencia de un flujo neto a lo largo de la costa, derivado del modo dominante de 24 horas con una velocidad promedio de 0.5 cm/s que se invierte a una distancia de la costa de aproximadamente 300 m. Resultados preliminares basados en el campo de velocidades simuladas predicen unas trayectorias horizontales de las partículas pasivas de hasta 1 km por día y unos desplazamientos verticales de hasta 5 m a través de la columna de agua
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-10-17T06:36:23Z
No. of bitstreams: 1
EarthRotation.pdf: 786774 bytes, checksum: bd4f5af675f156c1ac84c637ad05b733 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-10-17T06:36:56Z (GMT) No. of bitstreams: 1
EarthRotation.pdf: 786774 bytes, checksum: bd4f5af675f156c1ac84c637ad05b733 (MD5)
Made available in DSpace on 2013-10-17T06:36:56Z (GMT). No. of bitstreams: 1
EarthRotation.pdf: 786774 bytes, checksum: bd4f5af675f156c1ac84c637ad05b733 (MD5)
Previous issue date: 2011
Our study was supported by the SpanishGovernment through grants REN2001-2239 and FIS2008-03608
application/pdf
eng
Asociación Ibérica de Limnología
info:eu-repo/grantAgreement/MICINN//FIS2008-03608/ES/MEDIDAS PARA LA DESCRIPCION Y MODELIZACION DE LA MEZCLA TURBULENTA/
MICYT/PN 2001-2004/REN2001-2239
Reproducció digital del document publicat a: https://doi.org/10.23818/limn.30.04
© Limnetica, 2011, vol. 30, núm. 1, p. 27-42
Articles publicats (D-F)
MEDIDAS PARA LA DESCRIPCION Y MODELIZACION DE LA MEZCLA TURBULENTA
Tots els drets reservats
info:eu-repo/semantics/openAccess
Moviment rotatori
Rotational motion
Coriolis, Força de
Coriolis effect
Ones gravitacionals -- Models matemàtics
Gravity waves -- Mathematical models
Earth rotation effects on the internal wave field in a stratified small lake: Numerical simulations
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
EarthRotation.pdf
EarthRotation.pdf
application/pdf
786774
https://dugi-doc.udg.edu/bitstream/10256/8458/1/EarthRotation.pdf
bd4f5af675f156c1ac84c637ad05b733
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8458/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
EarthRotation.pdf.jpg
EarthRotation.pdf.jpg
Generated Thumbnail
image/jpeg
3099
https://dugi-doc.udg.edu/bitstream/10256/8458/3/EarthRotation.pdf.jpg
7b9889578b5fb6c31bf7912aec66133b
MD5
3
10256/8458
oai:dugi-doc.udg.edu:10256/8458
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/84602021-07-01T10:18:18Zcom_10256_1004com_10256_2943col_10256_1544col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Roget, Elena
Zavialov, Peter O.
Khan, Valentina M.
Muñiz, A.
Ministerio de Ciencia e Innovación (Espanya)
2013-10-17T07:20:13Z
2013-10-17T07:20:13Z
2009
1027-5606
http://hdl.handle.net/10256/8460
http://dx.doi.org/10.5194/hess-13-2265-2009
015884
1607-7938
Reasons for the existence of the channel connectin the two lobes of the present Large Aral Sea are discussed.
In situ measurements in 2005 show that differences between the measured depths and those contained in the available digital bathymetry of the lake are considerably different at the channel (7.5±0.9 m, at nine measurement stations along it) and at the northern part of the eastern lobe (1.6±0.3 m, at six stations from the western to the eastern shore). Differences in the misfits observed in the two zones are discussed and thought to be a consequence of the variation of the transversal area of the channel as it enters the eastern lobe, which would affect the flow velocity and thus the strength of the erosion process at the bottom. Field data together with satellite images have been used to modify an original digital bathymetry of the lake and have been implemented into a 3-D hydrodynamical model. A numerical simulation shows that a wind of 12 m/s blowing from the east (112°) generates velocities of up to 45 cm/s in the channel, allowing denser water from the eastern lobe (salinity: 132 g/kg) to flow about 38 km towards the fresher western lobe (salinity: 98 g/kg) in one day. The effect of the inflow on the vertical structure of the western lobe is also illustrated. Although nowadays the channel will be soon a thing of the past, in a more general context, the Aral Sea is presented as an example showing that geomorphologic and geophysical processes, along with hydrological and atmospheric processes, must be taken into account for short-term predictions
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-10-17T07:19:52Z
No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
GeodynamicalProcesses.pdf: 641685 bytes, checksum: 35c5986f1b63ec1fb0d5269d61cddc57 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-10-17T07:20:13Z (GMT) No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
GeodynamicalProcesses.pdf: 641685 bytes, checksum: 35c5986f1b63ec1fb0d5269d61cddc57 (MD5)
Made available in DSpace on 2013-10-17T07:20:13Z (GMT). No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
GeodynamicalProcesses.pdf: 641685 bytes, checksum: 35c5986f1b63ec1fb0d5269d61cddc57 (MD5)
Previous issue date: 2009
We thank D. Soloviov and S. Stanichniy (Marine Hydrophysical Institute, Ukraine), who kindly provided the satellite images used in this study. We are grateful to Professor Micklin and one anonymous reviewer for the interesting points they have raised in their review and for the opportunity to incorporate them in the text. This paper has been done within the frame of the NATO Collaborative Linkage Grant ESP-NR-NRCLG-982592. The work was also supported by the Russian Foundation for Basic Research and, partially, by the Spanish Ministry of Education and Science, grant FIS2008-03608
This paper has been done within the frame of the NATO Collaborative Linkage Grant ESP-NR-NRCLG-982592. The work was also supported by the Russian Foundation for Basic Research and, partially, by the Spanish Ministry of Education and Science, grant FIS2008-03608
application/pdf
eng
European Geosciences Union (EGU)
info:eu-repo/grantAgreement/MICINN//FIS2008-03608/ES/MEDIDAS PARA LA DESCRIPCION Y MODELIZACION DE LA MEZCLA TURBULENTA/
Reproducció digital del document publicat a: http://dx.doi.org/10.5194/hessd-6-5279-2009
Hydrology and Earth System Sciences and Discussions, 2009, vol. 6, p. 5279-5301
Articles publicats (D-F)
info:eu-repo/grantAgreement/EC/FP7/247512/EU/Climate Change and Inland Seas: Phenomena, Feedback and Uncertainties. The Physical Science Basis./CLIMSEAS
FP7
CLIMSEAS
MEDIDAS PARA LA DESCRIPCION Y MODELIZACION DE LA MEZCLA TURBULENTA
Attribution 3.0 Spain
http://creativecommons.org/licenses/by/3.0/es/
info:eu-repo/semantics/openAccess
Geodinàmica
Geodynamics
Geodynamical processes in the channel connecting the two lobes of the Large Aral Sea
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
GeodynamicalProcesses.pdf
GeodynamicalProcesses.pdf
application/pdf
641685
https://dugi-doc.udg.edu/bitstream/10256/8460/1/GeodynamicalProcesses.pdf
35c5986f1b63ec1fb0d5269d61cddc57
MD5
1
CC-LICENSE
license_rdf
license_rdf
application/rdf+xml; charset=utf-8
1370
https://dugi-doc.udg.edu/bitstream/10256/8460/2/license_rdf
ac86fe33011bda956ed9b032abf4d402
MD5
2
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8460/3/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
3
THUMBNAIL
GeodynamicalProcesses.pdf.jpg
GeodynamicalProcesses.pdf.jpg
Generated Thumbnail
image/jpeg
3479
https://dugi-doc.udg.edu/bitstream/10256/8460/4/GeodynamicalProcesses.pdf.jpg
6b1ac608f425f04cb295919ad2b58d5f
MD5
4
10256/8460
oai:dugi-doc.udg.edu:10256/8460
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/84662021-07-01T10:18:18Zcom_10256_1004com_10256_2943col_10256_1544col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Sánchez Martín, Xavier
Roget, Elena
Planella Morató, Jesús
Forcat Torras, Francesc
Ministerio de Ciencia e Innovación (Espanya)
2013-10-17T10:19:18Z
2013-10-17T10:19:18Z
2011
0022-3670
http://hdl.handle.net/10256/8466
http://dx.doi.org/10.1175/JPO-D-11-025.1
015212
1520-0485
The theoretical models of Batchelor and Kraichnan, which account for the smallest scales of a scalar field passively advected by a turbulent fluid (Prandtl . 1), have been validated using shear and temperature profiles measured with a microstructure profiler in a lake. The value of the rate of dissipation of turbulent kinetic energy « has been computed by fitting the shear spectra to the Panchev and Kesich theoretical model and the one-dimensional spectra of the temperature gradient, once « is known, to the Batchelor and Kraichnan models and from it determining the value of the turbulent parameter q. The goodness of the fit between the spectra corresponding to these models and the measured data shows a very clear dependence on the degree of isotropy, which is estimated by the Cox number. The Kraichnan model adjusts better to themeasured data than the Batchelor model, and the values of the turbulent parameter that better fit the experimental data are qв 5 4.4 ± 0.8 and qK 5 7.9± 2.5 for Batchelor and Kraichnan, respectively, when Cox ≥ 50. Once the turbulent parameter is fixed, a comparison of the value of « determined from fitting the thermal gradient spectra to the value obtained after fitting the shear spectra shows that the Kraichnan model gives a very good estimate of the dissipation, which the Batchelor model underestimates
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-10-17T10:18:57Z
No. of bitstreams: 1
Small-ScaleSpectrum.pdf: 1304798 bytes, checksum: 929b6b64b7a51451095ad6f1878f56a3 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-10-17T10:19:18Z (GMT) No. of bitstreams: 1
Small-ScaleSpectrum.pdf: 1304798 bytes, checksum: 929b6b64b7a51451095ad6f1878f56a3 (MD5)
Made available in DSpace on 2013-10-17T10:19:18Z (GMT). No. of bitstreams: 1
Small-ScaleSpectrum.pdf: 1304798 bytes, checksum: 929b6b64b7a51451095ad6f1878f56a3 (MD5)
Previous issue date: 2011
This research was developed under Spanish Government Project FIS2008-03608. We would also like to thank Francesc Nogue´ (University of Girona) for his electronic engineering support and Joan Corominas (Banyoles) for his sailing support
application/pdf
eng
American Meteorological Society
info:eu-repo/grantAgreement/MICINN//FIS2008-03608/ES/MEDIDAS PARA LA DESCRIPCION Y MODELIZACION DE LA MEZCLA TURBULENTA/
Reproducció digital del document publicat a: http://dx.doi.org/10.1175/JPO-D-11-025.1
© Journal of Physical Oceanography, 2011, vol. 41, núm. 11, p. 2155-2167
Articles publicats (D-F)
MEDIDAS PARA LA DESCRIPCION Y MODELIZACION DE LA MEZCLA TURBULENTA
Tots els drets reservats
info:eu-repo/semantics/openAccess
Turbulència
Turbulence
Dinàmica de fluids
Fluid dynamics
Small-Scale Spectrum of a Scalar Field in Water: The Batchelor and Kraichnan Models
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
Small-ScaleSpectrum.pdf
Small-ScaleSpectrum.pdf
application/pdf
1304798
https://dugi-doc.udg.edu/bitstream/10256/8466/1/Small-ScaleSpectrum.pdf
929b6b64b7a51451095ad6f1878f56a3
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8466/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Small-ScaleSpectrum.pdf.jpg
Small-ScaleSpectrum.pdf.jpg
Generated Thumbnail
image/jpeg
3010
https://dugi-doc.udg.edu/bitstream/10256/8466/3/Small-ScaleSpectrum.pdf.jpg
b6c8e4909e819f32fba912e9bee00aee
MD5
3
10256/8466
oai:dugi-doc.udg.edu:10256/8466
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/85072021-07-01T10:18:18Zcom_10256_1515com_10256_2943col_10256_1534col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Shihavuddin, A.S.M.
Grácias, Nuno Ricardo Estrela
García Campos, Rafael
Gleason, Arthur C. R.
Gintert, Brooke
Ministerio de Ciencia e Innovación (Espanya)
2013-10-25T11:06:11Z
2013-10-25T11:06:11Z
2013
http://hdl.handle.net/10256/8507
http://dx.doi.org/10.3390/rs5041809
017936
2072-4292
2072-4292
This paper presents a novel image classification scheme for benthic coral reef images that can be applied to both single image and composite mosaic datasets. The proposed method can be configured to the characteristics (e.g., the size of the dataset, number of classes, resolution of the samples, color information availability, class types, etc.) of individual datasets. The proposed method uses completed local binary pattern (CLBP), grey level co-occurrence matrix (GLCM), Gabor filter response, and opponent angle and hue channel color histograms as feature descriptors. For classification, either k-nearest neighbor (KNN), neural network (NN), support vector machine (SVM) or probability density weighted mean distance (PDWMD) is used. The combination of features and classifiers that attains the best results is presented together with the guidelines for selection. The accuracy and efficiency of our proposed method are compared with other state-of-the-art techniques using three benthic and three texture datasets. The proposed method achieves the highest overall classification accuracy of any of the tested methods and has moderate execution time. Finally, the proposed classification scheme is applied to a large-scale image mosaic of the Red Sea to create a completely classified thematic map of the reef benthos
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-10-25T11:05:49Z
No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
Image-BasedCoral.pdf: 2037512 bytes, checksum: 075b9e05dc15accf9f3bbcf55eaabb5a (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-10-25T11:06:11Z (GMT) No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
Image-BasedCoral.pdf: 2037512 bytes, checksum: 075b9e05dc15accf9f3bbcf55eaabb5a (MD5)
Made available in DSpace on 2013-10-25T11:06:11Z (GMT). No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
Image-BasedCoral.pdf: 2037512 bytes, checksum: 075b9e05dc15accf9f3bbcf55eaabb5a (MD5)
Previous issue date: 2013
This work was partially funded by the Spanish MICINN under grant CTM2010-15216 (MuMap) and by the EU Project FP7-ICT-2011-288704 (MORPH) and US DoD/DoE/EPA project ESTCP SI2010. ASM Shihavuddin was supported by the MICINN under the FI program. Art Gleason was supported by a grant from the Gale Foundation
application/pdf
eng
MDPI (Multidisciplinary Digital Publishing Institute)
info:eu-repo/grantAgreement/MICINN//CTM2010-15216/ES/SISTEMA DE CONSTRUCCION DE MAPAS MULTIMODALES PARA LA CARACTERIZACION DEL FONDO MARINO MEDIANTE LA UTILIZACION DE UN ROBOT AUTONOMO/
Reproducció digital del document publicat a: http://dx.doi.org/10.3390/rs5041809
Remote Sensing, 2013, vol. 5, núm. 4, p. 1809-1841
Articles publicats (D-ATC)
info:eu-repo/grantAgreement/EC/FP7/288704/EU/Marine robotic system of self-organizing, logically linked physical nodes/MORPH
FP7
-1
MORPH
-1
SISTEMA DE CONSTRUCCION DE MAPAS MULTIMODALES PARA LA CARACTERIZACION DEL FONDO MARINO MEDIANTE LA UTILIZACION DE UN ROBOT AUTONOMO
Attribution 3.0 Spain
http://creativecommons.org/licenses/by/3.0/es/
info:eu-repo/semantics/openAccess
Kernel, Funcions de
Kernel functions
Teledetecció
Remote sensing
Image-Based Coral Reef Classification and Thematic Mapping
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
CC-LICENSE
license_rdf
license_rdf
application/rdf+xml; charset=utf-8
1370
https://dugi-doc.udg.edu/bitstream/10256/8507/2/license_rdf
ac86fe33011bda956ed9b032abf4d402
MD5
2
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8507/3/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
3
THUMBNAIL
Image-BasedCoral.pdf.jpg
Image-BasedCoral.pdf.jpg
Generated Thumbnail
image/jpeg
3139
https://dugi-doc.udg.edu/bitstream/10256/8507/4/Image-BasedCoral.pdf.jpg
8e56c487f7c8ce3b7aa34a98d314a839
MD5
4
ORIGINAL
Image-BasedCoral.pdf
Image-BasedCoral.pdf
application/pdf
2037512
https://dugi-doc.udg.edu/bitstream/10256/8507/1/Image-BasedCoral.pdf
075b9e05dc15accf9f3bbcf55eaabb5a
MD5
1
10256/8507
oai:dugi-doc.udg.edu:10256/8507
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/85102021-07-01T10:18:18Zcom_10256_1515com_10256_2943col_10256_1534col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Mittelstaedt, Eric
Escartín, Javier
Olive, Jean-Arthur
Barreyre, Thibaut
Davaille, Anne
Cannat, Mathilde
García Campos, Rafael
Ministerio de Ciencia e Innovación (Espanya)
2013-10-25T12:09:26Z
2013-10-25T12:09:26Z
2012
1525-2027
http://hdl.handle.net/10256/8510
http://dx.doi.org/10.1029/2011GC003991
015995
The relative heat carried by diffuse versus discrete venting of hydrothermal fluids at mid-ocean ridges is poorly constrained and likely varies among vent sites. Estimates of the proportion of heat carried by diffuse flow range from 0% to 100% of the total axial heat flux. Here, we present an approach that integrates imagery, video, and temperature measurements to accurately estimate this partitioning at a single vent site, Tour Eiffel in the Lucky Strike hydrothermal field along the Mid-Atlantic Ridge. Fluid temperatures, photographic mosaics of the vent site, and video sequences of fluid flow were acquired during the Bathyluck’09 cruise (Fall, 2009) and the Momarsat’10 cruise (Summer, 2010) to the Lucky Strike hydrothermal field by the ROV Victor6000 aboard the French research vessel the ‘Pourquoi Pas’? (IFREMER, France). We use two optical methods to calculate the velocities of imaged hydrothermal fluids: (1) for diffuse venting, Diffuse Flow Velocimetry tracks the displacement of refractive index anomalies through time, and (2) for discrete jets, Particle Image Velocimetry tracks eddies by crosscorrelation of pixel intensities between subsequent images. To circumvent video blurring associated with rapid velocities at vent orifices, exit velocities at discrete vents are calculated from the best fit of the observed velocity field to a model of a steady state turbulent plume where we vary the model vent radius and fluid exit velocity. Our results yield vertical velocities of diffuse effluent between 0.9 cm s-1 and 11.1 cm s-1 for fluid temperatures between 3°C and 33.5°C above that of ambient seawater, and exit velocities of discrete jets between 22 cm s-1 and 119 cm s-1 for fluid temperatures between 200°C and 301°C above ambient seawater. Using the calculated fluid velocities, temperature measurements, and photo mosaics of the actively venting areas, we calculate a heat flux due to diffuse venting from thin fractures of 3.15 ±2.22 MW, discrete venting of 1.07± 0.66 MW, and, by incorporating previous estimates of diffuse heat flux density from Tour Eiffel, diffuse flux from the main sulfide mound of ~15.6 MW. We estimate that the total integrated heat flux from the Tour Eiffel site is 19.82 ± 2.88MWand that the ratio of diffuse to discrete heat flux is ~18. We discuss the implication of these results for the characterization of different vent sites within Lucky Strike and in the context of a compilation of all available measurements of the ratio of diffuse to discrete heat flux
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-10-25T12:08:15Z
No. of bitstreams: 1
QuantifyingDiffuse.pdf: 1914915 bytes, checksum: 05288efa3fcbef4d6ba312c5bf1eae0f (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-10-25T12:09:25Z (GMT) No. of bitstreams: 1
QuantifyingDiffuse.pdf: 1914915 bytes, checksum: 05288efa3fcbef4d6ba312c5bf1eae0f (MD5)
Made available in DSpace on 2013-10-25T12:09:26Z (GMT). No. of bitstreams: 1
QuantifyingDiffuse.pdf: 1914915 bytes, checksum: 05288efa3fcbef4d6ba312c5bf1eae0f (MD5)
Previous issue date: 2012
Funding for the 2006, 2008, 2009, and 2010 cruises was provided by CNRS/IFREMER through the MoMAR program (France), by ANR
(France), the Mothseim Project NT05–3 42213 to J. Escartín and by grant CTM2010–15216/MAR from the Spanish Ministry of Science to R. Garcia and J. Escartín
application/pdf
eng
American Geophysical Union
info:eu-repo/grantAgreement/MICINN//CTM2010-15216/ES/SISTEMA DE CONSTRUCCION DE MAPAS MULTIMODALES PARA LA CARACTERIZACION DEL FONDO MARINO MEDIANTE LA UTILIZACION DE UN ROBOT AUTONOMO/
Reproducció digital del document publicat a: http://dx.doi.org/10.1029/2011GC003991
© Geochemistry, Geophysics, Geosystems, 2012, vol.13, núm. 4, p. Q04008
Articles publicats (D-ATC)
SISTEMA DE CONSTRUCCION DE MAPAS MULTIMODALES PARA LA CARACTERIZACION DEL FONDO MARINO MEDIANTE LA UTILIZACION DE UN ROBOT AUTONOMO
Tots els drets reservats
info:eu-repo/semantics/openAccess
Geologia submarina
Submarine geology
Geofísica
Geophysics
Quantifying diffuse and discrete venting at the Tour Eiffel vent site, Lucky Strike hydrothermal field
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
QuantifyingDiffuse.pdf
QuantifyingDiffuse.pdf
application/pdf
1914915
https://dugi-doc.udg.edu/bitstream/10256/8510/1/QuantifyingDiffuse.pdf
05288efa3fcbef4d6ba312c5bf1eae0f
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8510/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
QuantifyingDiffuse.pdf.jpg
QuantifyingDiffuse.pdf.jpg
Generated Thumbnail
image/jpeg
3086
https://dugi-doc.udg.edu/bitstream/10256/8510/3/QuantifyingDiffuse.pdf.jpg
dd8c0658c6a2de232d354a33335c4b9f
MD5
3
10256/8510
oai:dugi-doc.udg.edu:10256/8510
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/85202021-07-01T10:18:18Zcom_10256_1515com_10256_2943col_10256_1534col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Masias Moyset, Marc
Freixenet i Bosch, Jordi
Lladó Bardera, Xavier
Peracaula i Bosch, Marta
Ministerio de Ciencia e Innovación (Espanya)
2013-10-30T07:22:17Z
2013-10-30T07:22:17Z
2012
0035-8711
http://hdl.handle.net/10256/8520
http://dx.doi.org/10.1111/j.1365-2966.2012.20742.x
016052
1365-2966
Astronomical images provide information about the great variety of celestial objects in the Universe, the physical processes taking place in it, and the formation and evolution of the cosmos. Great efforts are made to automatically detect stellar bodies in images due to the large volumes of data and the fact that the intensity of many sources is at the detection level of the instrument. In this paper, we review the main approaches to automated source detection. The main features of the detection algorithms are analysed and the most important techniques are classified into different strategies according to their type of image transformation and their main detection principle; at the same time their strengths and weaknesses are highlighted. A qualitative and quantitative evaluation of the results of the most representative approaches is also presented
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-10-30T07:21:52Z
No. of bitstreams: 1
ReviewSource.pdf: 925368 bytes, checksum: 885650a75845979ff4d7276bd4114c20 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-10-30T07:22:17Z (GMT) No. of bitstreams: 1
ReviewSource.pdf: 925368 bytes, checksum: 885650a75845979ff4d7276bd4114c20 (MD5)
Made available in DSpace on 2013-10-30T07:22:17Z (GMT). No. of bitstreams: 1
ReviewSource.pdf: 925368 bytes, checksum: 885650a75845979ff4d7276bd4114c20 (MD5)
Previous issue date: 2012
This work has been supported by Grant AYA2010-21782-C03-02 from EMCI-Ministerio de Ciencia e Innovacion. MM holds an FI grant 2011FI_B 00081
application/pdf
eng
Royal Astronomical Society
info:eu-repo/grantAgreement/MICINN//AYA2010-21782-C03-02/ES/FENOMENOS DE ALTA ENERGIA EN OBJETOS ESTELARES. ANALISIS DE IMAGENES MULTILONGITUD DE ONDA PARA LA DETECCION Y CARACTERIZACION DE FUENTES./
Reproducció digital del document publicat a: http://dx.doi.org/10.1111/j.1365-2966.2012.20742.x
© Monthly Notices of the Royal Astronomical Society, 2012, vol. 422, p. 1674-1689
Articles publicats (D-ATC)
FENOMENOS DE ALTA ENERGIA EN OBJETOS ESTELARES. ANALISIS DE IMAGENES MULTILONGITUD DE ONDA PARA LA DETECCION Y CARACTERIZACION DE FUENTES.
Tots els drets reservats
info:eu-repo/semantics/openAccess
Imatges -- Processament
Image processing
Imatge, Tècniques d'
Imaging systems
A review of source detection approaches in astronomical images
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
ReviewSource.pdf
ReviewSource.pdf
application/pdf
925368
https://dugi-doc.udg.edu/bitstream/10256/8520/1/ReviewSource.pdf
885650a75845979ff4d7276bd4114c20
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8520/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
ReviewSource.pdf.jpg
ReviewSource.pdf.jpg
Generated Thumbnail
image/jpeg
3515
https://dugi-doc.udg.edu/bitstream/10256/8520/3/ReviewSource.pdf.jpg
867f60f841bf3c36cac7af60cfd0afa2
MD5
3
10256/8520
oai:dugi-doc.udg.edu:10256/8520
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/85452021-07-01T10:18:18Zcom_10256_1525com_10256_2943col_10256_1548col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Reixach Corominas, Rafel
Franco Marquès, Elena
El Mansouri, Nour-Eddine
Ramírez de Cartagena Bisbe, Francisco
Arbat Pujolràs, Gerard
Espinach Orús, Xavier
Mutjé Pujol, Pere
Ministerio de Ciencia e Innovación (Espanya)
2013-10-31T11:49:12Z
2013-10-31T11:49:12Z
2013
1930-2126
http://hdl.handle.net/10256/8545
017661
This work explores the use of mechanical (MP), thermomechanical (TMP), and chemi-thermomechanical (CTMP) pulps from orange tree pruning fibers (OPF) as reinforcing elements of polypropylene (PP) composites. Due to the nature of the natural fibers, the use of a coupling agent is needed to attain a good interface and to prevent fiber slippage from the matrix. The main objective of the present work was to investigate the orientation factor, the interfacial shear strength, and the intrinsic strength of the OPF. Coupled and non-coupled composites were formulated and tested, optimizing the coupling agent content with the objective of maximizing the tensile strength of the composites. Hirsch and Kelly-Tyson models and the Bowyer-Bader methodology were used to compute the micromechanic properties. The contribution of subcritical, supercritical fibers, and matrix were also calculated
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-10-31T11:48:49Z
No. of bitstreams: 1
Micromechanics.pdf: 483956 bytes, checksum: 2a0db1d1b541e22e4f746ef1589fd055 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-10-31T11:49:12Z (GMT) No. of bitstreams: 1
Micromechanics.pdf: 483956 bytes, checksum: 2a0db1d1b541e22e4f746ef1589fd055 (MD5)
Made available in DSpace on 2013-10-31T11:49:12Z (GMT). No. of bitstreams: 1
Micromechanics.pdf: 483956 bytes, checksum: 2a0db1d1b541e22e4f746ef1589fd055 (MD5)
Previous issue date: 2013
The authors are grateful for the support of the EMCI - Ministerio de Ciencia e Innovacion (MICINN) for funding the research by the specific Research Program CTQ2010-21660-C03-03
application/pdf
eng
North Carolina State University
info:eu-repo/grantAgreement/MICINN//CTQ2010-21660-C03-03/ES/PROCESO SOSTENIBLE DE OBTENCION DE PASTAS CELULOSICAS A PARTIR DE RESIDUOS AGRICOLAS PROCEDENTES DE LA PODA DE CITRICOS Y DE TALLOS DE COLZA/
Versió postprint del document publicat a: http://ojs.cnr.ncsu.edu/index.php/BioRes/article/view/BioRes_08_3_3231_Reixach_Micromechanics_Thermomechanical/2129
© BioResources, 2013, vol. 8, núm. 3, p. 3231-3246
Articles publicats (D-EQATA)
PROCESO SOSTENIBLE DE OBTENCION DE PASTAS CELULOSICAS A PARTIR DE RESIDUOS AGRICOLAS PROCEDENTES DE LA PODA DE CITRICOS Y DE TALLOS DE COLZA
Tots els drets reservats
info:eu-repo/semantics/openAccess
Polpa de fusta
Wood-pulp
Materials compostos
Composite materials
Micromechanics of Mechanical, Thermomechanical, and Chemi-Thermomechanical Pulp from Orange Tree Pruning as Polypropylene Reinforcement: A Comparative Study
info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
Cap
rc1
ORIGINAL
Micromechanics.pdf
Micromechanics.pdf
application/pdf
483956
https://dugi-doc.udg.edu/bitstream/10256/8545/1/Micromechanics.pdf
2a0db1d1b541e22e4f746ef1589fd055
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8545/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Micromechanics.pdf.jpg
Micromechanics.pdf.jpg
Generated Thumbnail
image/jpeg
3249
https://dugi-doc.udg.edu/bitstream/10256/8545/3/Micromechanics.pdf.jpg
1f658c0b71d7c808eb6f2265c1ac38f5
MD5
3
10256/8545
oai:dugi-doc.udg.edu:10256/8545
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/85672021-07-01T10:18:18Zcom_10256_1528com_10256_2943col_10256_1553col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Castelló, Pascual
González, Carlos
Chover, Miguel
Sbert, Mateu
Feixas Feixas, Miquel
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2013-11-11T13:10:08Z
2013-11-11T13:10:08Z
2011
http://hdl.handle.net/10256/8567
http://dx.doi.org/10.3390/e13101805
017323
1099-4300
This paper presents a study and a comparison of the use of different information-theoretic measures for polygonal mesh simplification. Generalized measures from Information Theory such as Havrda–Charvát–Tsallis entropy and mutual information have been applied. These measures have been used in the error metric of a surface simplification algorithm. We demonstrate that these measures are useful for simplifying three-dimensional polygonal meshes. We have also compared these metrics with the error metrics used in a geometry-based method and in an image-driven method. Quantitative results are presented in the comparison using the root-mean-square error (RMSE)
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-11-11T13:09:43Z
No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
TsallisEntropy.pdf: 3672257 bytes, checksum: 98c2578918dead0faea63ca67b99cd04 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-11-11T13:10:08Z (GMT) No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
TsallisEntropy.pdf: 3672257 bytes, checksum: 98c2578918dead0faea63ca67b99cd04 (MD5)
Made available in DSpace on 2013-11-11T13:10:08Z (GMT). No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
TsallisEntropy.pdf: 3672257 bytes, checksum: 98c2578918dead0faea63ca67b99cd04 (MD5)
Previous issue date: 2011
This work was supported by the Spanish Ministry of Science and Innovation (Project TIN2010-21089-C03-03 and TIN2010-21089-C03-01) and Feder Funds, Bancaixa (Project P1.1B2010-08), Generalitat Valenciana (Project PROMETEO/2010/028) and Project 2009-SGR-643 of Generalitat de Catalunya (Catalan Government)
application/pdf
eng
MDPI (Multidisciplinary Digital Publishing Institute)
info:eu-repo/grantAgreement/MICINN//TIN2010-21089-C03-01/ES/CONTENIDO DIGITAL PARA JUEGOS SERIOS: CREACION, GESTION, RENDERIZADO E INTERACCION/
AGAUR/2009-2014/2009 SGR-643
Reproducció digital del document publicat a: http://dx.doi.org/10.3390/e13101805
Entropy, 2011, vol. 13, p. 1805-1828
Articles publicats (D-IMA)
CONTENIDO DIGITAL PARA JUEGOS SERIOS: CREACION, GESTION, RENDERIZADO E INTERACCION
Attribution 3.0 Spain
http://creativecommons.org/licenses/by/3.0/es/
info:eu-repo/semantics/openAccess
Informació, Teoria de la
Information theory
Entropia (Teoria de la informació)
Entropy (Information theory)
Tsallis Entropy for Geometry Simplification
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
TsallisEntropy.pdf
TsallisEntropy.pdf
application/pdf
3672257
https://dugi-doc.udg.edu/bitstream/10256/8567/1/TsallisEntropy.pdf
98c2578918dead0faea63ca67b99cd04
MD5
1
CC-LICENSE
license_rdf
license_rdf
application/rdf+xml; charset=utf-8
1370
https://dugi-doc.udg.edu/bitstream/10256/8567/2/license_rdf
ac86fe33011bda956ed9b032abf4d402
MD5
2
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8567/3/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
3
THUMBNAIL
TsallisEntropy.pdf.jpg
TsallisEntropy.pdf.jpg
Generated Thumbnail
image/jpeg
2697
https://dugi-doc.udg.edu/bitstream/10256/8567/4/TsallisEntropy.pdf.jpg
afd0873c9c892317a41c57160d7d51f9
MD5
4
10256/8567
oai:dugi-doc.udg.edu:10256/8567
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
Q29uZGljaW9ucyBkZWwgZGlww7JzaXQKCgpQZXIgcG9kZXIgcHVibGljYXIgZWwgZG9jdW1lbnQgYWwgRFVHaSBlbnMgY2FsIHVuYSBhdXRvcml0emFjacOzIHZvc3RyYSBwZXIgZGlmb25kcmUsIHB1YmxpY2FyIG8gY29tdW5pY2FyIGVsIHRleHQgZW4gbGVzIGNvbmRpY2lvbnMgc2Vnw7xlbnRzOgoKCi0gQXV0b3JpdHpvIGEgbGEgVW5pdmVyc2l0YXQgZGUgR2lyb25hIGEgZGlmb25kcmUsIHB1YmxpY2FyIG8gY29tdW5pY2FyIGVscyBkb2N1bWVudHMsIGRlIGZvcm1hIMOtbnRlZ3JhIG8gcGFyY2lhbCwgc2Vuc2Ugb2J0ZW5pciBjYXAgYmVuZWZpY2kgY29tZXJjaWFsLCDDum5pY2FtZW50IGFtYiBmaW5hbGl0YXRzIGRlIHJlY2VyY2EgaSBzdXBvcnQgbyBpbOKAomx1c3RyYWNpw7MgZGUgbGEgZG9jw6huY2lhLCBtaXRqYW7Dp2FudCBsYSBpbmNvcnBvcmFjacOzIGRlbHMgZG9jdW1lbnRzIGEgdW5hIGJhc2UgZGUgZGFkZXMgZWxlY3Ryw7JuaWNhIGTigJlhY2PDqXMgb2JlcnQuCgoKUGVyIGEgYXF1ZXN0ZXMgZmluYWxpdGF0cyBjZWRlaXhvIGRlIGZvcm1hIG5vIGV4Y2x1c2l2YSwgc2Vuc2UgbMOtbWl0IHRlbXBvcmFsIG5pIHRlcnJpdG9yaWFsLCBlbHMgZHJldHMgZOKAmWV4cGxvdGFjacOzIHF1ZSBlbSBjb3JyZXNwb25lbiBjb20gYSBhdXRvci9hLgoKCi0gQXV0b3JpdHpvIGEgbGEgVW5pdmVyc2l0YXQgZGUgR2lyb25hIGxhIGPDsnBpYSBkZWxzIGRvY3VtZW50cyBlbiB1biBhbHRyZSBzdXBvcnQsIGFkYXB0YXItbG9zIG8gdHJhbnNmb3JtYXItbG9zIGFtYiBmaW5hbGl0YXRzIGRlIGNvbnNlcnZhY2nDsyBvIGRpZnVzacOzLCBpIGzigJlhY29yZCBhbWIgdGVyY2VyZXMgcGVyc29uZXMgcGVyIHJlYWxpdHphciBhcXVlc3RhIGNvbnNlcnZhY2nDsyBpIGRpZnVzacOzIHJlc3BlY3RhbnQgbGEgY2Vzc2nDsyBkZSBkcmV0cyBxdWUgYXJhIGVmZWN0dW8uCgoKLSBFbSByZXNlcnZvIGxhIHJlc3RhIGRlIGRyZXRzIGFscyBxdWFscyBubyBlcyBmYSByZWZlcsOobmNpYSBlbiBlbCBwcmVzZW50IGRvY3VtZW50LgoKCkxhIFVkRyBhZ3JhZWl4IGxhIHZvc3RyYSBjb2zigKJsYWJvcmFjacOzLgo=
oai:dugi-doc.udg.edu:10256/85922021-07-01T10:18:18Zcom_10256_1525com_10256_2943col_10256_1548col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Vilar Sanz, Ariadna
Puig Broch, Sebastià
García Lledó, Arantzazu
Trias Mansilla, Rosalia
Balaguer i Condom, Maria Dolors
Colprim Galceran, Jesús
Bañeras Vives, Lluís
Ministerio de Ciencia e Innovación (Espanya)
Ministerio de Educación y Ciencia (Espanya)
2013-11-15T08:48:56Z
2013-11-15T08:48:56Z
2013
http://hdl.handle.net/10256/8592
http://dx.doi.org/10.1371/journal.pone.0063460
017801
1932-6203
The biocathodic reduction of nitrate in Microbial Fuel Cells (MFCs) is an alternative to remove nitrogen in low carbon to nitrogen wastewater and relies entirely on microbial activity. In this paper the community composition of denitrifiers in the cathode of a MFC is analysed in relation to added electron acceptors (nitrate and nitrite) and organic matter in the cathode. Nitrate reducers and nitrite reducers were highly affected by the operational conditions and displayed high diversity. The number of retrieved species-level Operational Taxonomic Units (OTUs) for narG, napA, nirS and nirK genes was 11, 10, 31 and 22, respectively. In contrast, nitrous oxide reducers remained virtually unchanged at all conditions. About 90% of the retrieved nosZ sequences grouped in a single OTU with a high similarity with Oligotropha carboxidovorans nosZ gene. nirS-containing denitrifiers were dominant at all conditions and accounted for a significant amount of the total bacterial density. Current production decreased from 15.0 A·m−3 NCC (Net Cathodic Compartment), when nitrate was used as an electron acceptor, to 14.1 A·m−3 NCC in the case of nitrite. Contrarily, nitrous oxide (N2O) accumulation in the MFC was higher when nitrite was used as the main electron acceptor and accounted for 70% of gaseous nitrogen. Relative abundance of nitrite to nitrous oxide reducers, calculated as (qnirS+qnirK)/qnosZ, correlated positively with N2O emissions. Collectively, data indicate that bacteria catalysing the initial denitrification steps in a MFC are highly influenced by main electron acceptors and have a major influence on current production and N2O accumulation
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-11-15T08:48:37Z
No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
DenitrifyingBacterial.pdf: 661584 bytes, checksum: a4160b45ff7fc31f9e01ffe956fbdf81 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-11-15T08:48:56Z (GMT) No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
DenitrifyingBacterial.pdf: 661584 bytes, checksum: a4160b45ff7fc31f9e01ffe956fbdf81 (MD5)
Made available in DSpace on 2013-11-15T08:48:56Z (GMT). No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
DenitrifyingBacterial.pdf: 661584 bytes, checksum: a4160b45ff7fc31f9e01ffe956fbdf81 (MD5)
Previous issue date: 2013
A. V-S. and A. G-L. are recipients of pre-doctoral grants from the Universitat de Girona and the Ministerio de Ciencia y Educacion, respectively. This research was funded through grants from the Spanish Government (CGL2009-08338, CSD2007-00055 and CTQ2011-23632)
application/pdf
eng
Public Library of Science
MICINN/PN 2010-2012/CGL2009-08338
info:eu-repo/grantAgreement/MEC//CSD2007-00055/ES/Concepción de la EDAR del siglo XXI. Desarrollo, implementación y evaluación de tecnologías para el tratamiento y recuperación de recursos en aguas residuales/
info:eu-repo/grantAgreement/MICINN//CTQ2011-23632/ES/SISTEMAS BIOELECTROQUIMICOS PARA EL TRATAMIENTO DE AGUAS: DE LA TRANSFERENCIA ELECTRONICA EXTRACELULAR A LA APLICACION BIOTECNOLOGICA/
Reproducció digital del document publicat a: http://dx.doi.org/10.1371/journal.pone.0063460
PLoS ONE, 2013, vol. 8, núm. 5, p. e63460
Articles publicats (D-EQATA)
SISTEMAS BIOELECTROQUIMICOS PARA EL TRATAMIENTO DE AGUAS: DE LA TRANSFERENCIA ELECTRONICA EXTRACELULAR A LA APLICACION BIOTECNOLOGICA
Concepción de la EDAR del siglo XXI. Desarrollo, implementación y evaluación de tecnologías para el tratamiento y recuperación de recursos en aguas residuales
Attribution 3.0 Spain
http://creativecommons.org/licenses/by/3.0/es/
info:eu-repo/semantics/openAccess
Càtodes
Cathodes
Reducció química
Reduction (Chemistry)
Nitrats
Aigües residuals -- Depuració -- Desnitrificació
Nitrates
Sewage -- Purification -- Nitrogen removal
Denitrifying Bacterial Communities Affect Current Production and Nitrous Oxide Accumulation in a Microbial Fuel Cell
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
DenitrifyingBacterial.pdf
DenitrifyingBacterial.pdf
application/pdf
661584
https://dugi-doc.udg.edu/bitstream/10256/8592/1/DenitrifyingBacterial.pdf
a4160b45ff7fc31f9e01ffe956fbdf81
MD5
1
CC-LICENSE
license_rdf
license_rdf
application/rdf+xml; charset=utf-8
1370
https://dugi-doc.udg.edu/bitstream/10256/8592/2/license_rdf
ac86fe33011bda956ed9b032abf4d402
MD5
2
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8592/3/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
3
THUMBNAIL
DenitrifyingBacterial.pdf.jpg
DenitrifyingBacterial.pdf.jpg
Generated Thumbnail
image/jpeg
3629
https://dugi-doc.udg.edu/bitstream/10256/8592/4/DenitrifyingBacterial.pdf.jpg
440c11edb862a8d9877c27f28013db9b
MD5
4
10256/8592
oai:dugi-doc.udg.edu:10256/8592
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
Q29uZGljaW9ucyBkZWwgZGlww7JzaXQKCgpQZXIgcG9kZXIgcHVibGljYXIgZWwgZG9jdW1lbnQgYWwgRFVHaSBlbnMgY2FsIHVuYSBhdXRvcml0emFjacOzIHZvc3RyYSBwZXIgZGlmb25kcmUsIHB1YmxpY2FyIG8gY29tdW5pY2FyIGVsIHRleHQgZW4gbGVzIGNvbmRpY2lvbnMgc2Vnw7xlbnRzOgoKCi0gQXV0b3JpdHpvIGEgbGEgVW5pdmVyc2l0YXQgZGUgR2lyb25hIGEgZGlmb25kcmUsIHB1YmxpY2FyIG8gY29tdW5pY2FyIGVscyBkb2N1bWVudHMsIGRlIGZvcm1hIMOtbnRlZ3JhIG8gcGFyY2lhbCwgc2Vuc2Ugb2J0ZW5pciBjYXAgYmVuZWZpY2kgY29tZXJjaWFsLCDDum5pY2FtZW50IGFtYiBmaW5hbGl0YXRzIGRlIHJlY2VyY2EgaSBzdXBvcnQgbyBpbOKAomx1c3RyYWNpw7MgZGUgbGEgZG9jw6huY2lhLCBtaXRqYW7Dp2FudCBsYSBpbmNvcnBvcmFjacOzIGRlbHMgZG9jdW1lbnRzIGEgdW5hIGJhc2UgZGUgZGFkZXMgZWxlY3Ryw7JuaWNhIGTigJlhY2PDqXMgb2JlcnQuCgoKUGVyIGEgYXF1ZXN0ZXMgZmluYWxpdGF0cyBjZWRlaXhvIGRlIGZvcm1hIG5vIGV4Y2x1c2l2YSwgc2Vuc2UgbMOtbWl0IHRlbXBvcmFsIG5pIHRlcnJpdG9yaWFsLCBlbHMgZHJldHMgZOKAmWV4cGxvdGFjacOzIHF1ZSBlbSBjb3JyZXNwb25lbiBjb20gYSBhdXRvci9hLgoKCi0gQXV0b3JpdHpvIGEgbGEgVW5pdmVyc2l0YXQgZGUgR2lyb25hIGxhIGPDsnBpYSBkZWxzIGRvY3VtZW50cyBlbiB1biBhbHRyZSBzdXBvcnQsIGFkYXB0YXItbG9zIG8gdHJhbnNmb3JtYXItbG9zIGFtYiBmaW5hbGl0YXRzIGRlIGNvbnNlcnZhY2nDsyBvIGRpZnVzacOzLCBpIGzigJlhY29yZCBhbWIgdGVyY2VyZXMgcGVyc29uZXMgcGVyIHJlYWxpdHphciBhcXVlc3RhIGNvbnNlcnZhY2nDsyBpIGRpZnVzacOzIHJlc3BlY3RhbnQgbGEgY2Vzc2nDsyBkZSBkcmV0cyBxdWUgYXJhIGVmZWN0dW8uCgoKLSBFbSByZXNlcnZvIGxhIHJlc3RhIGRlIGRyZXRzIGFscyBxdWFscyBubyBlcyBmYSByZWZlcsOobmNpYSBlbiBlbCBwcmVzZW50IGRvY3VtZW50LgoKCkxhIFVkRyBhZ3JhZWl4IGxhIHZvc3RyYSBjb2zigKJsYWJvcmFjacOzLgo=
oai:dugi-doc.udg.edu:10256/86002021-07-01T10:18:18Zcom_10256_2943com_10256_1523col_10256_10899col_10256_1546RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Vidal, Yolanda
Acho, Leonardo
Luo, Ningsu
Zapateiro de la Hoz, Mauricio Fabián
Pozo, Francesc
Ministerio de Ciencia e Innovación (Espanya)
2013-11-18T12:19:59Z
2013-11-18T12:19:59Z
2010
http://hdl.handle.net/10256/8600
http://dx.doi.org/10.3390/en5083033
017931
1996-1073
This paper considers power generation control in variable-speed variable-pitch horizontal-axis wind turbines operating at high wind speeds. A dynamic chattering torque control and a proportional integral (PI) pitch control strategy are proposed and validated using the National Renewable Energy Laboratory wind turbine simulator FAST (Fatigue, Aerodynamics, Structures, and Turbulence) code. Validation results show that the
proposed controllers are effective for power regulation and demonstrate high-performances for all other state variables (turbine and generator rotational speeds; and smooth and adequate evolution of the control variables) for turbulent wind conditions. To highlight the improvements of the provided method, the proposed controllers are compared to relevant previously published studies
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-11-18T12:19:40Z
No. of bitstreams: 1
PowerControlDesign.pdf: 1941121 bytes, checksum: 07f4cf6a45a5ad1c2a1625a305f85f59 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-11-18T12:19:59Z (GMT) No. of bitstreams: 1
PowerControlDesign.pdf: 1941121 bytes, checksum: 07f4cf6a45a5ad1c2a1625a305f85f59 (MD5)
Made available in DSpace on 2013-11-18T12:19:59Z (GMT). No. of bitstreams: 1
PowerControlDesign.pdf: 1941121 bytes, checksum: 07f4cf6a45a5ad1c2a1625a305f85f59 (MD5)
Previous issue date: 2010
This work was supported by the Ministerio de Ciencia e Innovacion projects numbers DPI2011-27567-C02 and DPI2011-28033-C03-01
application/pdf
eng
MDPI (Multidisciplinary Digital Publishing Institute)
info:eu-repo/grantAgreement/MICINN//DPI2011-27567-C02-02/ES/ESTRATEGIAS AVANZADAS DE CONTROL ESTRUCTURAL PARA MITIGAR LOS EFECTOS DE LAS CARGAS DINAMICAS EN LOS AEROGENERADORES OFFSHORE FLOTANTES/
Reproducció digital del document publicat a: http://dx.doi.org/10.3390/en5083033
© Energies, 2012, núm. 5, p. 3033-3050
Articles publicats (IIIA)
ESTRATEGIAS AVANZADAS DE CONTROL ESTRUCTURAL PARA MITIGAR LOS EFECTOS DE LAS CARGAS DINAMICAS EN LOS AEROGENERADORES OFFSHORE FLOTANTES
Reconeixement 3.0 Espanya
http://creativecommons.org/licenses/by/3.0/es/deed.ca
info:eu-repo/semantics/openAccess
Energia eòlica
Wind power
Aerogeneradors
Wind turbines
Power Control Design for Variable-Speed Wind Turbines
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
PowerControlDesign.pdf
PowerControlDesign.pdf
application/pdf
1941121
https://dugi-doc.udg.edu/bitstream/10256/8600/1/PowerControlDesign.pdf
07f4cf6a45a5ad1c2a1625a305f85f59
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8600/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
PowerControlDesign.pdf.jpg
PowerControlDesign.pdf.jpg
Generated Thumbnail
image/jpeg
2640
https://dugi-doc.udg.edu/bitstream/10256/8600/3/PowerControlDesign.pdf.jpg
1a2d03c02fe14c7d369aff0e3fa61370
MD5
3
10256/8600
oai:dugi-doc.udg.edu:10256/8600
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86402024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Codolà Duch, Zoel
Cardoso, Joao M. S.
Royo, Beatriz
Costas Salgueiro, Miquel
Lloret Fillol, Julio
Ministerio de Ciencia e Innovación (Espanya)
2013-12-02T13:26:15Z
2013-12-02T13:26:15Z
2013
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
0947-6539
http://hdl.handle.net/10256/8640
http://dx.doi.org/10.1002/chem.201204568
1521-3765
Exceptional water oxidation (WO) turnover frequencies (TOF=17 000 h-1), and turnover numbers (TONs) close to 400 000, the largest ever reported for a metal-catalyzed WO reaction, have been found by using [Cp*IrIII (NHC)Cl2] (in which NHC=3-methyl-1-(1 phenylethyl)-im-Idazoline-2-ylidene) as the pre-catalyst and NaIO4 as oxidant in water at 40ºC. The apparent TOF for [Cp*IrIII (NHC)X2] (1X, in which X stands for I (1I), Cl (1Cl), or triflate anion (1OTf)) and [(Cp*-NHCMe)IrIIII2] (2) complexes, is kept constant during almost all of the O2 evolution reaction when using NaIO4 as oxidant. The TOF was found to be dependent on the ligand and on the anion (TOF
ranging from ≈ 600 to ≈1100 h-1 at 25ºC). Degradation of the complexes by oxidation of the organic ligands upon reaction with NaIO4 has been investigated. ¹H NMR, ESI-MS, and dynamic light-scattering measurements (DLS) of the reaction medium indicated that the complex undergoes ràpid degradation, even at low equivalents of oxidant, but this process takes place without formation of nanoparticles. Remarkably, three-month-old solution samples of oxidized pre-catalysts remain equally as active as freshly prepared solutions. A UV/Vis feature band at ƴmax=405 nm is observed in catalytic reaction solutions only when O2 evolves, which may be attributed to a resting state iridium speciation, most probably Ir–oxo species with an oxidation state higher than IV
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-02T13:25:50Z
No. of bitstreams: 1
HighlyEffective.pdf: 810303 bytes, checksum: c1660572b5e363e3dcd239a7d0d109c5 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-02T13:26:15Z (GMT) No. of bitstreams: 1
HighlyEffective.pdf: 810303 bytes, checksum: c1660572b5e363e3dcd239a7d0d109c5 (MD5)
Made available in DSpace on 2013-12-02T13:26:15Z (GMT). No. of bitstreams: 1
HighlyEffective.pdf: 810303 bytes, checksum: c1660572b5e363e3dcd239a7d0d109c5 (MD5)
Previous issue date: 2013
application/pdf
eng
Wiley-VCH Verlag Berlin
MICINN/PN 2010-2012/CTQ2009-08464
Reproducció digital del document publicat a: http://dx.doi.org/10.1002/chem.201204568
© Chemistry : a European Journal, 2013, vol.19, núm. 22, p. 7203-7213
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/239910/EU/Bio-inspired Design of Catalysts for Selective Oxidations of C-H and C=C Bonds/BIDECASEOX
info:eu-repo/grantAgreement/EC/FP7/268445/EU/Modular Ligands for Water Splitting/WATERSPLIT
FP7
-1
FP7
-1
BIDECASEOX
-1
WATERSPLIT
-1
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Catàlisi homogènia
Homogeneous catalysis
Catalitzadors d'iridi
Iridium catalysts
Espectroscòpia ultraviolada-visible
Ultraviolet-visible spectroscopy
Highly Effective Water Oxidation Catalysis with Iridium Complexes through the Use of NaIO4
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
HighlyEffective.pdf
HighlyEffective.pdf
application/pdf
810303
https://dugi-doc.udg.edu/bitstream/10256/8640/1/HighlyEffective.pdf
c1660572b5e363e3dcd239a7d0d109c5
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8640/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
HighlyEffective.pdf.jpg
HighlyEffective.pdf.jpg
Generated Thumbnail
image/jpeg
3203
https://dugi-doc.udg.edu/bitstream/10256/8640/3/HighlyEffective.pdf.jpg
95fe444c83c7d795a3aa7c4593566e6d
MD5
3
10256/8640
oai:dugi-doc.udg.edu:10256/8640
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86412024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
García Simón, Cristina
Garcia Borràs, Marc
Gómez Martín, Laura
Garcia Bosch, Isaac
Osuna Oliveras, Sílvia
Swart, Marcel
Luis Luis, Josep Maria
Rovira, Concepció
Almeida, Manuel
Imaz, Inhar
Maspoch, Daniel
Costas Salgueiro, Miquel
Ribas Salamaña, Xavi
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2013-12-02T14:05:10Z
2013-12-02T14:05:10Z
2013
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
0947-6539
http://hdl.handle.net/10256/8641
http://dx.doi.org/10.1002/chem.201203376
1521-3765
The metal-directed supramolecular synthetic approach has paved the way for the development of functional nanosized molecules. In this work, we report the preparation of the new nanocapsule 3-(CF3SO3)8 with a A4B2 tetragonal prismatic geometry, where A corresponds to the dipalladium hexaazamacrocyclic complex Pd-1, and B corresponds to the tetraanionic form of palladium 5,10,15,20-tetrakis(4-carboxyphenyl)porphyrin (2). The large void space of the inner cavity and the supramolecular affinity for guest molecules towards porphyrin-based hosts converts this nanoscale molecular 3D structure into a good candidate for host–guest chemistry. The interaction between this nanocage and different guest molecules has been studied by means of NMR, UV/Vis, ESI-MS, and DOSY experiments, from which highly selective molecular recognition has been found for anionic, planar-shaped π guests with association constants (Ka) higher than 109 m−1, in front of non-interacting aromatic neutral or cationic substrates. DFT theoretical calculations provided insights to further understand this strong interaction. Nanocage 3⋅(CF3SO3)8 can not only strongly host one single molecule of M(dithiolene)2 complexes (M=Au, Pt, Pd, and Ni), but also can finely tune their optical and redox properties. The very simple synthesis of both the supramolecular cage and the building blocks represents a step forward for the development of polyfunctional supramolecular nanovessels, which offer multiple applications as sensors or nanoreactors
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-02T14:04:48Z
No. of bitstreams: 1
Self-AssembledTetragonal.pdf: 1320274 bytes, checksum: d1ffe9bb819170dba57ae7dcb00228c8 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-02T14:05:10Z (GMT) No. of bitstreams: 1
Self-AssembledTetragonal.pdf: 1320274 bytes, checksum: d1ffe9bb819170dba57ae7dcb00228c8 (MD5)
Made available in DSpace on 2013-12-02T14:05:10Z (GMT). No. of bitstreams: 1
Self-AssembledTetragonal.pdf: 1320274 bytes, checksum: d1ffe9bb819170dba57ae7dcb00228c8 (MD5)
Previous issue date: 2013
We are grateful for financial support from the MICINN of Spain (CTQ2009-08464/BQU to M. C., CTQ2011-25086/BQU, CTQ2011-23156/BQU, PhD grant AP2010-2517 to M. G. B, INNPLANTA- INP-2011-0059PCT-420000-ACT1 and Consolider-Ingenio CSD2010-00065), the FEDER fund (European Fund for Regional Development) for the grant UNGI08-4E-003, the European Research Council for Project ERC-2011StG-277801 to X. R. and ERC-2008-StG-29910 to M. C., and the Generalitat de Catalunya (2009SGR637, 2009SGR528, and a Ph.D. grant to C. G. S.). X. R. and M. C. thank ICREA-Academia awards. I. I. thanks MINECO for a Ramon y Cajal contract. We thank Dr. Teodor Parella for fruitful discussions. We thank STR's from UdG for technical support, and we also acknowledge the computer resources, technical expertise, and assistance provided by the Barcelona Supercomputing Center Centro Nacional de Supercomputacion, and Centre de Serveis Cientifics i Academics de Catalunya (CESCA) for partial funding of computer time
application/pdf
eng
Wiley-VCH Verlag Berlin
MICINN/PN 2010-2012/CTQ2009-08464
info:eu-repo/grantAgreement/MICINN//CTQ2011-23156/ES/AVANCES EN CATALISIS Y AROMATICIDAD/
info:eu-repo/grantAgreement/MICINN//CTQ2011-25086/ES/MODELIZACION MULTIESCALAR EN (BIO)QUIMICA/
MICINN/PN 2010-2016/CSD2010-00065
AGAUR/2009-2014/2009 SGR-637
AGAUR/2009-2014/2009 SGR-528
MICINN/PN 2011/INP-2011-0059-PCT-420000
Reproducció digital del document publicat a: http://dx.doi.org/10.1002/chem.201203376
© Chemistry : a European Journal, 2013, vol. 19, p. 1445-1456
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/277801/EU/Sustainable C-X and C-H Functionalization Catalyzed by Copper(III) Species/SUSCATCU3
info:eu-repo/grantAgreement/EC/FP7/239910/EU/Bio-inspired Design of Catalysts for Selective Oxidations of C-H and C=C Bonds/BIDECASEOX
FP7
-1
FP7
-1
SUSCATCU3
-1
BIDECASEOX
-1
AVANCES EN CATALISIS Y AROMATICIDAD
MODELIZACION MULTIESCALAR EN (BIO)QUIMICA
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Funcional de densitat, Teoria del
Density functionals
Anions
Self-Assembled Tetragonal Prismatic Molecular Cage Highly Selective for Anionic π Guests
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
Self-AssembledTetragonal.pdf
Self-AssembledTetragonal.pdf
application/pdf
1320274
https://dugi-doc.udg.edu/bitstream/10256/8641/1/Self-AssembledTetragonal.pdf
d1ffe9bb819170dba57ae7dcb00228c8
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8641/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Self-AssembledTetragonal.pdf.jpg
Self-AssembledTetragonal.pdf.jpg
Generated Thumbnail
image/jpeg
3207
https://dugi-doc.udg.edu/bitstream/10256/8641/3/Self-AssembledTetragonal.pdf.jpg
efee94e8cfb5d4d1f43bf2f54e8e83ea
MD5
3
10256/8641
oai:dugi-doc.udg.edu:10256/8641
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86422024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Font Molins, Marc
Parella Coll, Teodor
Costas Salgueiro, Miquel
Ribas Salamaña, Xavi
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2013-12-03T08:09:16Z
2013-12-03T08:09:16Z
2012
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
0276-7333
http://hdl.handle.net/10256/8642
http://dx.doi.org/10.1021/om3006323
1520-6041
A well-defined macrocyclic aryl-CuIII complex (1) readily reacts with a series of R–SH, Ar–SH, Ar–SeH, and (RO)2(O)–PH (R = alkyl) nucleophiles to quantitatively afford the corresponding aryl alkyl thioethers, biaryl thioethers, biaryl selenide, and aryl dialkyl phosphonates, respectively. Competition experiments using bifunctional substrates revealed the important impact of lower pKa values in order to discriminate between functional groups, although other influencing parameters such as steric effects have been identified. The catalytic version of these reactions is achieved using aryl bromide and aryl chloride model substrates, affording C–S, C–Se, and C–P coupling compounds in excellent to moderate yields. Low-temperature UV–vis and NMR monitoring of the reactions of complex 1 with a variety of nucleophiles support the formation of a ground-state 1–nucleophile adduct. A mechanistic proposal for reaction of 1 with S-nucleophiles involving key nucleophile deprotonation and aryl-nucleophile reductive elimination steps is finally described
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T08:08:56Z
No. of bitstreams: 1
CatalyticC–S.pdf: 398049 bytes, checksum: fa5b1260517056c7a20c64ae019da486 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T08:09:16Z (GMT) No. of bitstreams: 1
CatalyticC–S.pdf: 398049 bytes, checksum: fa5b1260517056c7a20c64ae019da486 (MD5)
Made available in DSpace on 2013-12-03T08:09:16Z (GMT). No. of bitstreams: 1
CatalyticC–S.pdf: 398049 bytes, checksum: fa5b1260517056c7a20c64ae019da486 (MD5)
Previous issue date: 2012
We thank Dr. A. Casitas for fruitful discussions. We acknowledge financial support from the European Research Council for Project ERC-2011-StG-277801 to X.R., MICINN of Spain (CTQ2009-08464/BQU to M.C., CT2009-08328 to T.P., and Ph.D. FPI grant to M.F.), Consolider-Ingenio CSD2010-00065, and the Catalan DIUE of the Generalitat de Catalunya (2009SGR637). X.R. and M.C. acknowledge ICREA-Academia awards. We thank STR's from UdG for technical support
application/pdf
eng
American Chemical Society
MICINN/PN 2010-2012/CTQ2009-08464
MICINN/PN 2010-2016/CSD2010-00065
AGAUR/2009-2014/2009 SGR-637
Reproducció digital del document publicat a: http://dx.doi.org/10.1021/om3006323
© Organometallics, 2012, vol. 31, núm. 22, p. 7976-7982
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/277801/EU/Sustainable C-X and C-H Functionalization Catalyzed by Copper(III) Species/SUSCATCU3
FP7
-1
SUSCATCU3
-1
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Reaccions químiques
Chemical reactions
Reaccions nucleofíliques
Nucleophilic reactions
Catalytic C–S, C–Se, and C–P Cross-Coupling Reactions Mediated by a CuI/CuIII Redox Cycle
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
CatalyticC–S.pdf
CatalyticC–S.pdf
application/pdf
398049
https://dugi-doc.udg.edu/bitstream/10256/8642/1/CatalyticC%E2%80%93S.pdf
fa5b1260517056c7a20c64ae019da486
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8642/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
CatalyticC–S.pdf.jpg
CatalyticC–S.pdf.jpg
Generated Thumbnail
image/jpeg
3591
https://dugi-doc.udg.edu/bitstream/10256/8642/3/CatalyticC%E2%80%93S.pdf.jpg
9da88b95762bbe6c829ad3cbe418b75d
MD5
3
10256/8642
oai:dugi-doc.udg.edu:10256/8642
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86432024-02-21T12:48:09Zcom_10256_1515com_10256_2943col_10256_1534col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Lee, Chee Sing
Clark, Daniel E.
Salvi, Joaquim
Ministerio de Ciencia e Innovación (Espanya)
2013-12-03T08:39:36Z
2013-12-03T08:39:36Z
2013
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
1932-4553
http://hdl.handle.net/10256/8643
http://dx.doi.org/10.1109/JSTSP.2013.2251606
018153
1941-0484
This paper presents the first algorithm for simultaneous localization and mapping (SLAM) that can estimate the locations of both dynamic and static features in addition to the vehicle trajectory. We model the feature-based SLAM problem as a single-cluster process, where the vehicle motion defines the parent, and the map features define the daughter. Based on this assumption, we obtain tractable formulae that define a Bayesian filter recursion. The novelty in this filter is that it provides a robust multi-object likelihood which is easily understood in the context of our starting assumptions. We present a particle/Gaussian mixture implementation of the filter, taking into consideration the challenges that SLAM presents over target tracking with stationary sensors, such as changing fields of view and a mixture of static and dynamic map features. Monte Carlo simulation results are given which demonstrate the filter's effectiveness with high measurement clutter and non-linear vehicle motion
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T08:39:18Z
No. of bitstreams: 1
SLAM-With-Dynamic.pdf: 2198621 bytes, checksum: eb98a599b352c9e9b6560e2fb2e02377 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T08:39:36Z (GMT) No. of bitstreams: 1
SLAM-With-Dynamic.pdf: 2198621 bytes, checksum: eb98a599b352c9e9b6560e2fb2e02377 (MD5)
Made available in DSpace on 2013-12-03T08:39:36Z (GMT). No. of bitstreams: 1
SLAM-With-Dynamic.pdf: 2198621 bytes, checksum: eb98a599b352c9e9b6560e2fb2e02377 (MD5)
Previous issue date: 2013
Manuscript received September 09, 2012; revised December 09, 2012; accepted February 19, 2013. Date of publication March 06, 2013; date of current version May 13, 2013. This work was supported by an EPSRC grant EP/J012432/1, EU grant FP7-ICT-2011-7 project PANDORA Ref 288273, Spanish Ministry of Science and Innovation project RAIMON ref. CTM2011-29691-C02-02) and the Catalan Government (FI and BE-DGR grants).. The work of C. S. Lee was supported by a Ph.D. FI Scholarship of the Catalan Government. The work of D. E. Clark was supported by an RAEng/EPSRC Fellowship. The associate editor coordinating the review of this manuscript and approving it for publication was Prof. Ba-Ngu Vo
application/pdf
eng
Institute of Electrical and Electronics Engineers (IEEE)
info:eu-repo/grantAgreement/MICINN//CTM2011-29691-C02-02/ES/ROBOT AUTONOMO SUBMARINO PARA LA INSPECCION Y MONITORIZACION DE EXPLOTACIONES DE ACUICULTURA MARINA/
Reproducció digital del document publicat a: http://dx.doi.org/10.1109/JSTSP.2013.2251606
© IEEE Journal of Selected Topics in Signal Processing, 2013, vol. 7, núm. 3, p. 543-552
Articles publicats (D-ATC)
info:eu-repo/grantAgreement/EC/FP7/288273/EU/Persistent Autonomy through Learning, Adaptation, Observation and Re-planning/PANDORA
FP7
-1
PANDORA
-1
ROBOT AUTONOMO SUBMARINO PARA LA INSPECCION Y MONITORIZACION DE EXPLOTACIONES DE ACUICULTURA MARINA
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Algorismes computacionals
Computer algorithms
Imatges -- Processament
Image processing
Processos estocàstics
Stochastic processes
SLAM With Dynamic Targets via Single-Cluster PHD Filtering
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
SLAM-With-Dynamic.pdf
SLAM-With-Dynamic.pdf
application/pdf
2198621
https://dugi-doc.udg.edu/bitstream/10256/8643/1/SLAM-With-Dynamic.pdf
eb98a599b352c9e9b6560e2fb2e02377
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8643/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
SLAM-With-Dynamic.pdf.jpg
SLAM-With-Dynamic.pdf.jpg
Generated Thumbnail
image/jpeg
4169
https://dugi-doc.udg.edu/bitstream/10256/8643/3/SLAM-With-Dynamic.pdf.jpg
c94e44d64c753b5b923a641d6c16c728
MD5
3
10256/8643
oai:dugi-doc.udg.edu:10256/8643
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86442024-02-21T12:48:09Zcom_10256_1515com_10256_2943col_10256_1534col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Fernández Navarro, Sergio
Salvi, Joaquim
Ministerio de Ciencia e Innovación (Espanya)
2013-12-03T08:54:41Z
2013-12-03T08:54:41Z
2013
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
0030-4018
http://hdl.handle.net/10256/8644
http://dx.doi.org/10.1016/j.optcom.2012.10.042
017297
Shape reconstruction using coded structured light (SL) is considered one of the most reliable techniques to recover object surfaces. Among SL techniques, the achievement of dense acquisition for moving scenarios constitutes an active field of research. A common solution is to project a single one-shot fringe pattern, extracting depth from the phase deviation of the imaged pattern. However, the algorithms employed to unwrap the phase are computationally slow and can fail in the presence of depth discontinuities and occlusions. In this work, a proposal for a new one-shot dense pattern that combines DeBruijn and Windowed Fourier Transform to obtain a dense, absolute, accurate and computationally fast 3D reconstruction is presented and compared with other existing techniques
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T08:54:22Z
No. of bitstreams: 1
One-shot-absolute.pdf: 2278540 bytes, checksum: 92501c4106fa6a9112f42f15b87b4f83 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T08:54:41Z (GMT) No. of bitstreams: 1
One-shot-absolute.pdf: 2278540 bytes, checksum: 92501c4106fa6a9112f42f15b87b4f83 (MD5)
Made available in DSpace on 2013-12-03T08:54:41Z (GMT). No. of bitstreams: 1
One-shot-absolute.pdf: 2278540 bytes, checksum: 92501c4106fa6a9112f42f15b87b4f83 (MD5)
Previous issue date: 2013
This work has been partly supported by the FP7-ICT-2011-7 project PANDORA-Persistent Autonomy through Learning, Adaptation, Observation and Re-planning (Ref 288273) funded by the European Commission and the project RAIMON-Autonomous Underwater Robot for Marine Fish Farms Inspection and Monitoring (Ref CTM2011-29691-C02-02) funded by the Spanish Ministry of Science and Innovation. S. Fernandez is supported by the Spanish government scholarship FPU
application/pdf
eng
Elsevier
info:eu-repo/grantAgreement/MICINN//CTM2011-29691-C02-02/ES/ROBOT AUTONOMO SUBMARINO PARA LA INSPECCION Y MONITORIZACION DE EXPLOTACIONES DE ACUICULTURA MARINA/
Reproducció digital del document publicat a: http://dx.doi.org/10.1016/j.optcom.2012.10.042
© Optics Communications, 2013, vol. 291, p.70-78
Articles publicats (D-ATC)
info:eu-repo/grantAgreement/EC/FP7/288273/EU/Persistent Autonomy through Learning, Adaptation, Observation and Re-planning/PANDORA
FP7
-1
PANDORA
-1
ROBOT AUTONOMO SUBMARINO PARA LA INSPECCION Y MONITORIZACION DE EXPLOTACIONES DE ACUICULTURA MARINA
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Llum -- Simulació per ordinador
Light -- Computer simulation
Visualització tridimensional (Informàtica)
Three-dimensional display systems
Visió per ordinador
Computer vision
Percepció de la profunditat
Depth perception
One-shot absolute pattern for dense reconstruction using DeBruijn coding and Windowed Fourier Transform
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
One-shot-absolute.pdf
One-shot-absolute.pdf
application/pdf
2278540
https://dugi-doc.udg.edu/bitstream/10256/8644/1/One-shot-absolute.pdf
92501c4106fa6a9112f42f15b87b4f83
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8644/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
One-shot-absolute.pdf.jpg
One-shot-absolute.pdf.jpg
Generated Thumbnail
image/jpeg
3389
https://dugi-doc.udg.edu/bitstream/10256/8644/3/One-shot-absolute.pdf.jpg
da97ffa911a8cc7f75a452d100529f09
MD5
3
10256/8644
oai:dugi-doc.udg.edu:10256/8644
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86452024-02-21T12:48:09Zcom_10256_1515com_10256_2943col_10256_1534col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Diez, Yago
Martí Bonmatí, Joan
Salvi, Joaquim
Ministerio de Ciencia e Innovación (Espanya)
2013-12-03T09:22:55Z
2013-12-03T09:22:55Z
2012
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
0167-8655
http://hdl.handle.net/10256/8645
http://dx.doi.org/10.1016/j.patrec.2012.07.006
016262
Point cloud matching is a central problem in Object Modeling with applications in Computer Vision and Computer Graphics. Although the problem is well studied in the case when an initial estimate of the relative pose is known (fine matching), the problem becomes much more difficult when this a priori knowledge is not available (coarse matching). In this paper we introduce a novel technique to speed up coarse matching algorithms for point clouds. This new technique, called Hierarchical Normal Space Sampling (HNSS), extends Normal Space Sampling by grouping points hierarchically according to the distribution of their normal vectors. This hierarchy guides the search for corresponding points while staying free of user intervention. This permits to navigate through the huge search space taking advantage of geometric information and to stop when a sufficiently good initial pose is found. This initial pose can then be used as the starting point for any fine matching algorithm. Hierarchical Normal Space Sampling is adaptable to different searching strategies and shape descriptors. To illustrate HNSS, we present experiments using both synthetic and real data that show the computational complexity of the problem, the computation time reduction obtained by HNSS and the application potentials in combination with ICP
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T09:22:37Z
No. of bitstreams: 1
HierarchicalNormal .pdf: 627357 bytes, checksum: 9b506e023087c57337b90141a08ac729 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T09:22:55Z (GMT) No. of bitstreams: 1
HierarchicalNormal .pdf: 627357 bytes, checksum: 9b506e023087c57337b90141a08ac729 (MD5)
Made available in DSpace on 2013-12-03T09:22:55Z (GMT). No. of bitstreams: 1
HierarchicalNormal .pdf: 627357 bytes, checksum: 9b506e023087c57337b90141a08ac729 (MD5)
Previous issue date: 2012
This work has been supported by FP7-ICT-2011-7 projects: PANDORA Persistent Autonomy through Learning, Adaptation, Observation and Re-planning (Ref 288273) funded by the European Commission and RAIMON Autonomous Underwater Robot for Marine Fish Farms Inspection and Monitoring (Ref CTM2011-29691-C02-02) funded by the Spanish Ministry of Science and Innovation
application/pdf
eng
Elsevier
info:eu-repo/grantAgreement/MICINN//CTM2011-29691-C02-02/ES/ROBOT AUTONOMO SUBMARINO PARA LA INSPECCION Y MONITORIZACION DE EXPLOTACIONES DE ACUICULTURA MARINA/
Reproducció digital del document publicat a: http://dx.doi.org/10.1016/j.patrec.2012.07.006
© Pattern Recognition Letters, 2012, vol. 33, núm. 16, p. 2127-2133
Articles publicats (D-ATC)
info:eu-repo/grantAgreement/EC/FP7/288273/EU/Persistent Autonomy through Learning, Adaptation, Observation and Re-planning/PANDORA
FP7
PANDORA
ROBOT AUTONOMO SUBMARINO PARA LA INSPECCION Y MONITORIZACION DE EXPLOTACIONES DE ACUICULTURA MARINA
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Visió per ordinador
Computer vision
Reconeixement de formes (Informàtica)
Pattern recognition systems
Imatges -- Processament
Image processing
Hierarchical Normal Space Sampling to speed up point cloud coarse matching
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
HierarchicalNormal .pdf
HierarchicalNormal .pdf
application/pdf
627357
https://dugi-doc.udg.edu/bitstream/10256/8645/1/HierarchicalNormal+.pdf
9b506e023087c57337b90141a08ac729
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8645/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
HierarchicalNormal .pdf.jpg
HierarchicalNormal .pdf.jpg
Generated Thumbnail
image/jpeg
3394
https://dugi-doc.udg.edu/bitstream/10256/8645/3/HierarchicalNormal+.pdf.jpg
c91f8dfdc6098ac98eea241187151e5d
MD5
3
10256/8645
oai:dugi-doc.udg.edu:10256/8645
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86462024-02-21T12:48:09Zcom_10256_1515com_10256_2943col_10256_1534col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Elibol, Armagan
Grácias, Nuno Ricardo Estrela
García Campos, Rafael
Ministerio de Ciencia e Innovación (Espanya)
2013-12-03T10:38:08Z
2013-12-03T10:38:08Z
2013
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
0921-8890
http://hdl.handle.net/10256/8646
http://dx.doi.org/10.1016/j.robot.2012.10.010
017211
Over the past decade, several image mosaicing methods have been proposed in robotic mapping and remote sensing applications. Owing to rapid developments in obtaining optical data from areas beyond human reach, there is a high demand from different science fields for creating large-area image mosaics, often using images as the only source of information. One of the most important steps in the mosaicing process is motion estimation between overlapping images to obtain the topology, i.e., the spatial relationships between images. In this paper, we propose a generic framework for feature-based image mosaicing capable of obtaining the topology with a reduced number of matching attempts and of getting the best possible trajectory estimation. Innovative aspects include the use of a fast image similarity criterion combined with a Minimum Spanning Tree (MST) solution, to obtain a tentative topology and information theory principles to decide when to update trajectory estimation. Unlike previous approaches for large-area mosaicing, our framework is able to naturally deal with the cases where time-consecutive images cannot be matched successfully, such as completely unordered sets. This characteristic also makes our approach robust to sensor failure. The performance of the method is illustrated with experimental results obtained from different challenging underwater image sequences
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T10:37:49Z
No. of bitstreams: 1
FastTopology.pdf: 3181725 bytes, checksum: eb5fd883ccfc8c71d1fdc6909b738e78 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T10:38:08Z (GMT) No. of bitstreams: 1
FastTopology.pdf: 3181725 bytes, checksum: eb5fd883ccfc8c71d1fdc6909b738e78 (MD5)
Made available in DSpace on 2013-12-03T10:38:08Z (GMT). No. of bitstreams: 1
FastTopology.pdf: 3181725 bytes, checksum: eb5fd883ccfc8c71d1fdc6909b738e78 (MD5)
Previous issue date: 2013
This work was partially funded through EU project FP7-ICT-2011-288704 (Morph), the Spanish Ministry of Science and Innovation (MCINN) under grant CTM2010-15216 (MuMap), and by the US DoD/DoE/EPA/ESTCP project SI2010. Nuno Gracias was supported by MCINN under the Ramon y Cajal program
application/pdf
eng
Elsevier
info:eu-repo/grantAgreement/MICINN//CTM2010-15216/ES/SISTEMA DE CONSTRUCCION DE MAPAS MULTIMODALES PARA LA CARACTERIZACION DEL FONDO MARINO MEDIANTE LA UTILIZACION DE UN ROBOT AUTONOMO/
Reproducció digital del document publicat a: http://dx.doi.org/10.1016/j.robot.2012.10.010
© Robotics and Autonomous Systems, 2013, vol. 61, núm. 2, p. 125-136
Articles publicats (D-ATC)
info:eu-repo/grantAgreement/EC/FP7/288704/EU/Marine robotic system of self-organizing, logically linked physical nodes/MORPH
FP7
-1
MORPH
-1
SISTEMA DE CONSTRUCCION DE MAPAS MULTIMODALES PARA LA CARACTERIZACION DEL FONDO MARINO MEDIANTE LA UTILIZACION DE UN ROBOT AUTONOMO
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Imatges -- Processament
Image processing
Kalman, Filtratge de
Kalman filtering
Fast topology estimation for image mosaicing using adaptive information thresholding
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
FastTopology.pdf
FastTopology.pdf
application/pdf
3181725
https://dugi-doc.udg.edu/bitstream/10256/8646/1/FastTopology.pdf
eb5fd883ccfc8c71d1fdc6909b738e78
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8646/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
FastTopology.pdf.jpg
FastTopology.pdf.jpg
Generated Thumbnail
image/jpeg
3427
https://dugi-doc.udg.edu/bitstream/10256/8646/3/FastTopology.pdf.jpg
7ec5c31dd7c11999a60978bfae73ea90
MD5
3
10256/8646
oai:dugi-doc.udg.edu:10256/8646
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86472024-02-21T12:48:09Zcom_10256_1515com_10256_2943col_10256_1534col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Nicosevici, Tudor
García Campos, Rafael
Ministerio de Ciencia e Innovación (Espanya)
2013-12-03T11:08:01Z
2013-12-03T11:08:01Z
2012
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
1552-3098
http://hdl.handle.net/10256/8647
http://dx.doi.org/10.1109/TRO.2012.2192013
015997
1941-0468
Detecting already-visited regions based on their visual appearance helps reduce drift and position uncertainties in robot navigation and mapping. Inspired from content-based image retrieval, an efficient approach is the use of visual vocabularies to measure similarities between images. This way, images corresponding to the same scene region can be associated. State-of-theart proposals that address this topic use prebuilt vocabularies that generally require a priori knowledge of the environment. We propose a novel method for appearance-based navigation and mapping where the visual vocabularies are built online, thus eliminating the need for prebuilt data. We also show that the proposed technique allows efficient loop-closure detection, even at small vocabulary sizes, resulting in a higher computational efficiency
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T11:07:43Z
No. of bitstreams: 1
AutomaticVisualBag.pdf: 1237827 bytes, checksum: 44d5d1003742a872d0c41b4b3f028718 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T11:08:01Z (GMT) No. of bitstreams: 1
AutomaticVisualBag.pdf: 1237827 bytes, checksum: 44d5d1003742a872d0c41b4b3f028718 (MD5)
Made available in DSpace on 2013-12-03T11:08:01Z (GMT). No. of bitstreams: 1
AutomaticVisualBag.pdf: 1237827 bytes, checksum: 44d5d1003742a872d0c41b4b3f028718 (MD5)
Previous issue date: 2012
This work was supported in part by European Union Project FP7-ICT-2011-288704 and the Spanish Ministry of Science and Innovation under Grant CTM2010-15216
application/pdf
eng
Institute of Electrical and Electronics Engineers (IEEE)
info:eu-repo/grantAgreement/MICINN//CTM2010-15216/ES/SISTEMA DE CONSTRUCCION DE MAPAS MULTIMODALES PARA LA CARACTERIZACION DEL FONDO MARINO MEDIANTE LA UTILIZACION DE UN ROBOT AUTONOMO/
Reproducció digital del document publicat a: http://dx.doi.org/10.1109/TRO.2012.2192013
© IEEE Transactions on Robotics, 2012, vol. 28, núm. 4, p. 886-898
Articles publicats (D-ATC)
info:eu-repo/grantAgreement/EC/FP7/288704/EU/Marine robotic system of self-organizing, logically linked physical nodes/MORPH
FP7
-1
MORPH
-1
SISTEMA DE CONSTRUCCION DE MAPAS MULTIMODALES PARA LA CARACTERIZACION DEL FONDO MARINO MEDIANTE LA UTILIZACION DE UN ROBOT AUTONOMO
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Imatges -- Processament
Image processing
Visió per ordinador
Computer vision
Automatic Visual Bag-of-Words for Online Robot Navigation and Mapping
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
AutomaticVisualBag.pdf
AutomaticVisualBag.pdf
application/pdf
1237827
https://dugi-doc.udg.edu/bitstream/10256/8647/1/AutomaticVisualBag.pdf
44d5d1003742a872d0c41b4b3f028718
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8647/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
AutomaticVisualBag.pdf.jpg
AutomaticVisualBag.pdf.jpg
Generated Thumbnail
image/jpeg
3556
https://dugi-doc.udg.edu/bitstream/10256/8647/3/AutomaticVisualBag.pdf.jpg
8308d39157e8896c4b914b76a8bc4b93
MD5
3
10256/8647
oai:dugi-doc.udg.edu:10256/8647
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86482024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Poater Teixidor, Albert
Falivene, Laura
Cavallo, Luigi
Llobet Dalmases, Antoni
Rodríguez Pizarro, Montserrat
Romero García, Isabel
Solà i Puig, Miquel
Ministerio de Educación y Ciencia (Espanya)
Ministerio de Ciencia e Innovación (Espanya)
2013-12-03T11:50:09Z
2013-12-03T11:50:09Z
2013
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
0009-2614
http://hdl.handle.net/10256/8648
http://dx.doi.org/10.1016/j.cplett.2013.05.032
017883
The reactivity of a new family of complexes with general formula [Ru-IV(T)(R-D)(O)](2+) (T = trispyrazolylmethane (tpm); D = N-(1-hydroxy-3-methylbutan-(2S)-(-)-2-yl)-(4S)-(-)-4-isopropyl-4,5-dihydrooxazole-2-carbimidate, R = Bz (1); iPr (2)) has been analyzed. There is a significant difference in regioselectivity between the two catalysts in the epoxidation of 4-vinylcyclohexene; 1 leads to the regioselective oxidation at the ring alkene position, whereas 2 leads to the oxidation at the terminal position. Although computational calculations indicate small energy differences, both the geometry through steric maps and the electronic parameters of the reactants via conceptual DFT, or charges via NPA, explain the reactivity differences found for the catalysts depending on the substituents of the oxazoline ligands
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T11:49:47Z
No. of bitstreams: 1
SimpleCheapSteric.pdf: 994313 bytes, checksum: b3b94d34042d0855464b825c8e0b0b33 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T11:50:09Z (GMT) No. of bitstreams: 1
SimpleCheapSteric.pdf: 994313 bytes, checksum: b3b94d34042d0855464b825c8e0b0b33 (MD5)
Made available in DSpace on 2013-12-03T11:50:09Z (GMT). No. of bitstreams: 1
SimpleCheapSteric.pdf: 994313 bytes, checksum: b3b94d34042d0855464b825c8e0b0b33 (MD5)
Previous issue date: 2013
We acknowledge financial support from the MICINN of Spain (CTQ2007-60476/PPQ to I. R and M. R. and CTQ2011-23156/BQU to M. S.), the DIUE of the Generalitat de Catalunya (projects 2009SGR637 and Xarxa de Referencia en Quimica Teorica i Computacional), and the European Fund for Regional Development fund for the grant UNGI08-4E-003. M. S. is also grateful to the DIUE of the Generalitat de Catalunya for financial help through the ICREA Academia 2009 prize for excellence in research. A. P. thanks MICINN for a Ramon y Cajal contract (RYC-2009-05226), European Commission for a Career Integration Grant (CIG09-GA-2011-293900), and Generalitat de Catalunya (2012BE100824)
application/pdf
eng
Elsevier
info:eu-repo/grantAgreement/MEC//CTQ2007-60476/ES/MIMETIZACION DE PROCESOS BIOINORGANICOS Y APLICACIONES CATALITICAS CON COMPLEJOS DE RUTENIO Y MANGANESO/
info:eu-repo/grantAgreement/MICINN//CTQ2011-23156/ES/AVANCES EN CATALISIS Y AROMATICIDAD/
AGAUR/2009-2014/2009 SGR-637
info:eu-repo/grantAgreement/MICINN//RYC-2009-05226/ES/RYC-2009-05226/
Reproducció digital del document publicat a: http://dx.doi.org/10.1016/j.cplett.2013.05.032
© Chemical Physics Letters, 2013, vol. 577, p. 142-146
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/293900/EU/Ab initio Statics and Molecular Dynamics Simulation of Olefin Metathesis Catalysts for pharmacological purposes/COMPUTEDRUG
FP7
COMPUTEDRUG
MIMETIZACION DE PROCESOS BIOINORGANICOS Y APLICACIONES CATALITICAS CON COMPLEJOS DE RUTENIO Y MANGANESO
AVANCES EN CATALISIS Y AROMATICIDAD
RYC-2009-05226
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Catàlisi asimètrica
Enantioselective catalysis
Compostos heterocíclics
Heterocyclic compounds
Ruteni -- Compostos
Ruthenium compounds
Simple and cheap steric and electronic characterization of the reactivity of Ru(II) complexes containing oxazoline ligands as epoxidation catalysts
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
SimpleCheapSteric.pdf
SimpleCheapSteric.pdf
application/pdf
994313
https://dugi-doc.udg.edu/bitstream/10256/8648/1/SimpleCheapSteric.pdf
b3b94d34042d0855464b825c8e0b0b33
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8648/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
SimpleCheapSteric.pdf.jpg
SimpleCheapSteric.pdf.jpg
Generated Thumbnail
image/jpeg
3538
https://dugi-doc.udg.edu/bitstream/10256/8648/3/SimpleCheapSteric.pdf.jpg
71359cd7d8f312213b3e8dfbcad3fa1d
MD5
3
10256/8648
oai:dugi-doc.udg.edu:10256/8648
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86492024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Urbina-Blanco, Cesar A.
Poater Teixidor, Albert
Lebl, Tomas
Manzini, Simone
Slawin, Alexandra M. Z.
Cavallo, Luigi
Nolan, Steven P.
Ministerio de Ciencia e Innovación (Espanya)
2013-12-03T12:05:11Z
2013-12-03T12:05:11Z
2013
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
0002-7863
http://hdl.handle.net/10256/8649
http://dx.doi.org/10.1021/ja402700p
1520-5126
Olefin metathesis is a powerful tool for the formation of carbon-carbon double bonds. Several families of well-defined ruthenium (Ru) catalysts have been developed during the past 20 years; however, the reaction mechanism for all such complexes was assumed to be the same. In the present study, the initiation mechanism of Ru-indenylidene complexes was examined and compared with that of benzylidene counterparts. It was discovered that not all indenylidene complexes followed the same mechanism, highlighting the importance of steric and electronic properties of so-called spectator ligands, and that there is no single mechanism for the Ru-based olefin metathesis reaction. The experimental findings are supported quantitatively by DFT calculations
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T12:04:50Z
No. of bitstreams: 1
ActivationMechanism.pdf: 416438 bytes, checksum: fc23b36d6d32475a9446024d757e1ffd (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T12:05:11Z (GMT) No. of bitstreams: 1
ActivationMechanism.pdf: 416438 bytes, checksum: fc23b36d6d32475a9446024d757e1ffd (MD5)
Made available in DSpace on 2013-12-03T12:05:11Z (GMT). No. of bitstreams: 1
ActivationMechanism.pdf: 416438 bytes, checksum: fc23b36d6d32475a9446024d757e1ffd (MD5)
Previous issue date: 2013
The research leading to these results has received funding from the European Community's Seventh Framework Programme (FP7/2007-2013) under grant agreement no CP-FP 211468-2 EUMET. SPN is a Royal Society Wolfson Research Merit Award holder. LC thanks BSC (QCM-2010-2-0020), and the HPC team of Enea for using the ENEA-GRID and the HPC facilities CRESCO in Portici (Italy) for access to remarkable computational resources. AP thanks the Spanish MICINN for a Ramon y Cajal contract (RYC-2009-05226), Generalitat de Catalunya (2012BE100824) and European Commission for a Career Integration Grant (CIG09-GA-2011-293900)
application/pdf
eng
American Chemical Society
info:eu-repo/grantAgreement/MICINN//RYC-2009-05226/ES/RYC-2009-05226/
Reproducció digital del document publicat a: http://dx.doi.org/10.1021/ja402700p
© Journal of the American Chemical Society, 2013, vol. 135, núm. 18, p. 7073-7079
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/293900/EU/Ab initio Statics and Molecular Dynamics Simulation of Olefin Metathesis Catalysts for pharmacological purposes/COMPUTEDRUG
FP7
COMPUTEDRUG
RYC-2009-05226
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Catàlisi
Catalysis
Ruteni -- Compostos
Ruthenium compounds
Activació (Química)
Activation (Chemistry)
The Activation Mechanism of Ru-Indenylidene Complexes in Olefin Metathesis
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
ActivationMechanism.pdf
ActivationMechanism.pdf
application/pdf
416438
https://dugi-doc.udg.edu/bitstream/10256/8649/1/ActivationMechanism.pdf
fc23b36d6d32475a9446024d757e1ffd
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8649/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
ActivationMechanism.pdf.jpg
ActivationMechanism.pdf.jpg
Generated Thumbnail
image/jpeg
3415
https://dugi-doc.udg.edu/bitstream/10256/8649/3/ActivationMechanism.pdf.jpg
0bd802dfbbff322b59a210d78a547a7b
MD5
3
10256/8649
oai:dugi-doc.udg.edu:10256/8649
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86502024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Vaquer, Lydia
Poater Teixidor, Albert
De Tovar, Jonathan
García-Antón, Jordi
Solà i Puig, Miquel
Llobet Dalmases, Antoni
Sala Román, Xavier
Ministerio de Economía y Competitividad (Espanya)
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2013-12-03T12:20:04Z
2013-12-03T12:20:04Z
2013
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
0020-1669
http://hdl.handle.net/10256/8650
http://dx.doi.org/10.1021/ic302678b
1520-510X
A new chiral derivative of the N,N-bis(2-pyridylmethyl)ethylamine (bpea) ligand, Me-pinene[5,6]bpea [(-)-L1], has been prepared from a new aldehyde building block [Me-pinene-aldehyde, (-)-4] arising from the monoterpene chiral pool. The tridentate (-)-L1 ligand has been employed to prepare a new set of Ru-Cl complexes in combination with didentate 2,2'-bipyridine (bpy) with the general formula [RuCl((-)-L1)(bpy)](+). These complexes have been characterized in solution by cyclic voltammetry, UV-vis, and 1D and 2D NMR spectroscopy. Isomeric mixtures of trans,fac-C1a and anti,mer-C1c compounds are formed when (-)-L1 is reacted with a [Ru(bpy)(MeOH)Cl-3] precursor. Density functional theory calculations of all of the potential isomers of this reaction have been performed in order to interpret the experimental results in terms of electronic and steric effects and also to unravel the observed isomerization pathway between anti,mer-C1c and trans,fac-C1a
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T12:19:44Z
No. of bitstreams: 1
RutheniumComplexes.pdf: 424329 bytes, checksum: 86143fb9f5e12edb2dacfa686fde0b24 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T12:20:04Z (GMT) No. of bitstreams: 1
RutheniumComplexes.pdf: 424329 bytes, checksum: 86143fb9f5e12edb2dacfa686fde0b24 (MD5)
Made available in DSpace on 2013-12-03T12:20:04Z (GMT). No. of bitstreams: 1
RutheniumComplexes.pdf: 424329 bytes, checksum: 86143fb9f5e12edb2dacfa686fde0b24 (MD5)
Previous issue date: 2013
Support from MINECO (Grants CTQ2011-26440, CTQ2010-21497, and CTQ2011-23156/BQU) is gratefully acknowledged. Financial help from the DIUE of the Generalitat de Catalunya (Projects 2009SGR637and XRQTC) and the FEDER fund (European Fund for Regional Development) for Grant UNGI08-4E-003 is acknowledged. L.V. is grateful for the award of a FI doctoral grant from AGAUR. A.P. is grateful to the European Commission (Grant CIG09-GA-2011-293900), Spanish MICINN (Ramon y Cajal Contract RYC-2009-05226), and Generalitat de Catalunya (Grant 2011BE100793). Support for the research of M.S. was received through the ICREA Academia 2009 prize for excellence in research funded by the DIUE of the Generalitat de Catalunya
application/pdf
eng
American Chemical Society
info:eu-repo/grantAgreement/MICINN//CTQ2010-21497/ES/CATALIZADORES PARA LA FOTOSINTESIS ARTIFICIAL/
info:eu-repo/grantAgreement/MICINN//CTQ2011-23156/ES/AVANCES EN CATALISIS Y AROMATICIDAD/
info:eu-repo/grantAgreement/MICINN//RYC-2009-05226/ES/RYC-2009-05226/
AGAUR/2009-2014/2009 SGR-637
AGAUR/2011BE100793
Reproducció digital del document publicat a: http://dx.doi.org/10.1021/ic302678b
© Inorganic Chemistry, 2013, vol. 52, núm. 9, p. 4985-4992
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/293900/EU/Ab initio Statics and Molecular Dynamics Simulation of Olefin Metathesis Catalysts for pharmacological purposes/COMPUTEDRUG
FP7
-1
COMPUTEDRUG
-1
CATALIZADORES PARA LA FOTOSINTESIS ARTIFICIAL
RYC-2009-05226
AVANCES EN CATALISIS Y AROMATICIDAD
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Catàlisi asimètrica
Enantioselective catalysis
Ruteni -- Compostos
Ruthenium compounds
Ruthenium Complexes with Chiral Bis-Pinene Ligands: an Array of Subtle Structural Diversity
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
RutheniumComplexes.pdf
RutheniumComplexes.pdf
application/pdf
424329
https://dugi-doc.udg.edu/bitstream/10256/8650/1/RutheniumComplexes.pdf
86143fb9f5e12edb2dacfa686fde0b24
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8650/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
RutheniumComplexes.pdf.jpg
RutheniumComplexes.pdf.jpg
Generated Thumbnail
image/jpeg
3579
https://dugi-doc.udg.edu/bitstream/10256/8650/3/RutheniumComplexes.pdf.jpg
8d7675679e51d5134ba1b9d5abdc2f42
MD5
3
10256/8650
oai:dugi-doc.udg.edu:10256/8650
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86512024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Poater Teixidor, Albert
Cavallo, Luigi
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2013-12-03T12:29:49Z
2013-12-03T12:29:49Z
2013
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
1432-881X
http://hdl.handle.net/10256/8651
http://dx.doi.org/10.1007/s00214-013-1353-9
1432-2234
The present paper gives insight into an intramolecular dechlorination reaction involving Copper (I) and an ArCH2Cl moiety. The discussion of the presence of a Cu-III organometallic intermediate becomes a challenge, and because of the lack of clear experimental detection of this proposed intermediate, and due to the computational evidence that it is less stable than other isomeric species, it can be ruled out for the complex studied here. Our calculations are completely consistent with the key hypothesis of Karlin et al. that TMPA-Cu-I is the substrate of intramolecular dechlorination reactions as well as the source to generate organometallic species. However the organometallic character of some intermediates has been refused because computationally these species are less stable than other isomers. Thus this study constitutes an additional piece towards the full understanding of a class of reaction of biological relevance. Further, the lack of high energy barriers and deep energy wells along the reaction pathway explains the experimental difficulties to trap other intermediates
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T12:29:29Z
No. of bitstreams: 1
OrganometallicCopper.pdf: 420983 bytes, checksum: 237991fd3ab9f3fbb733ddceba5f04c0 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T12:29:49Z (GMT) No. of bitstreams: 1
OrganometallicCopper.pdf: 420983 bytes, checksum: 237991fd3ab9f3fbb733ddceba5f04c0 (MD5)
Made available in DSpace on 2013-12-03T12:29:49Z (GMT). No. of bitstreams: 1
OrganometallicCopper.pdf: 420983 bytes, checksum: 237991fd3ab9f3fbb733ddceba5f04c0 (MD5)
Previous issue date: 2013
AP is grateful to the European Commission (CIG09-GA-2011-293900), Spanish MICINN (Ramon y Cajal contract RYC-2009-05226), and Generalitat de Catalunya (2011BE100793)
application/pdf
eng
Springer Verlag
info:eu-repo/grantAgreement/MICINN//RYC-2009-05226/ES/RYC-2009-05226/
AGAUR/2011BE100793
Reproducció digital del document publicat a: http://dx.doi.org/10.1007/s00214-013-1353-9
© Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2013, vol. 132, núm. 5, p. 1353
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/293900/EU/Ab initio Statics and Molecular Dynamics Simulation of Olefin Metathesis Catalysts for pharmacological purposes/COMPUTEDRUG
FP7
-1
COMPUTEDRUG
-1
RYC-2009-05226
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Compostos organometàl·lics
Organometallic compounds
Reaccions de substitució
Substitution reactions
Organometallic copper I, II or III species in an intramolecular dechlorination reaction
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
OrganometallicCopper.pdf
OrganometallicCopper.pdf
application/pdf
420983
https://dugi-doc.udg.edu/bitstream/10256/8651/1/OrganometallicCopper.pdf
237991fd3ab9f3fbb733ddceba5f04c0
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8651/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
OrganometallicCopper.pdf.jpg
OrganometallicCopper.pdf.jpg
Generated Thumbnail
image/jpeg
3180
https://dugi-doc.udg.edu/bitstream/10256/8651/3/OrganometallicCopper.pdf.jpg
5a152c7b21d0d076e63090601fa04618
MD5
3
10256/8651
oai:dugi-doc.udg.edu:10256/8651
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86522024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Broggi, Julie
Jurcik, Vaclav
Songis, Olivier
Poater Teixidor, Albert
Cavallo, Luigi
Slawin, Alexandra M. Z.
Cazin, Catherine S. J.
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2013-12-03T12:42:40Z
2013-12-03T12:42:40Z
2013
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
0002-7863
http://hdl.handle.net/10256/8652
http://dx.doi.org/10.1021/ja311087c
1520-5126
The [Pd(SIPr)(PCy3)] complex efficiently promotes a tandem process involving dehydrogenation of formic acid and hydrogenation of C-C multiple bonds using H-2 formed in situ. The isolation of a key catalytic hydridoformatopalladium species, [Pd{OC(O)H}(H)(IPr)(PCy3)], is reported. The complex plays a key role in the Pd(0)-mediated formation of hydrogen from formic acid. Mechanistic and computational studies delineate the operational role of the palladium complex in this efficient tandem sequence
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T12:42:19Z
No. of bitstreams: 1
Isolation.pdf: 328471 bytes, checksum: 8c7f2b8ee8b82470ad56b1be5787beae (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T12:42:40Z (GMT) No. of bitstreams: 1
Isolation.pdf: 328471 bytes, checksum: 8c7f2b8ee8b82470ad56b1be5787beae (MD5)
Made available in DSpace on 2013-12-03T12:42:40Z (GMT). No. of bitstreams: 1
Isolation.pdf: 328471 bytes, checksum: 8c7f2b8ee8b82470ad56b1be5787beae (MD5)
Previous issue date: 2013
The EPSRC and the Royal Society (University Research Fellowship to C.S.J.C.), the Spanish MICINN (Ramon y Cajal Contract RYC-2009-05226 to A.P.), the EC (Career Integration Grant CIG09-GA-2011-293900 to A.P.), and Generalitat de Catalunya (BE Fellowship 2011BE100793 to A.P.) are acknowledged for financial support
application/pdf
eng
American Chemical Society
info:eu-repo/grantAgreement/MICINN//RYC-2009-05226/ES/RYC-2009-05226/
AGAUR/2011BE100793
Reproducció digital del document publicat a: http://dx.doi.org/10.1021/ja311087c
© Journal of the American Chemical Society, 2013, vol. 135, núm. 12, p. 4588-4591
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/293900/EU/Ab initio Statics and Molecular Dynamics Simulation of Olefin Metathesis Catalysts for pharmacological purposes/COMPUTEDRUG
FP7
-1
COMPUTEDRUG
-1
RYC-2009-05226
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Compostos heterocíclics
Heterocyclic compounds
Catàlisi
Catalysis
The Isolation of [Pd{OC(O)H}(H)(NHC)(PR3)] (NHC = N-Heterocyclic Carbene) and Its Role in Alkene and Alkyne Reductions Using Formic Acid
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
Isolation.pdf
Isolation.pdf
application/pdf
328471
https://dugi-doc.udg.edu/bitstream/10256/8652/1/Isolation.pdf
8c7f2b8ee8b82470ad56b1be5787beae
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8652/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Isolation.pdf.jpg
Isolation.pdf.jpg
Generated Thumbnail
image/jpeg
3832
https://dugi-doc.udg.edu/bitstream/10256/8652/3/Isolation.pdf.jpg
b310f7a3d67e32eeeca38fba86862537
MD5
3
10256/8652
oai:dugi-doc.udg.edu:10256/8652
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86532024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Rich Masallera, Jordi
Rodríguez Pizarro, Montserrat
Romero García, Isabel
Fontrodona, Xavier
Leeuwen, Piet W. N. M. van
Freixa, Zoraida
Sala Román, Xavier
Poater Teixidor, Albert
Solà i Puig, Miquel
Ministerio de Economía y Competitividad (Espanya)
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2013-12-03T13:12:17Z
2013-12-03T13:12:17Z
2013
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
1434-1948
http://hdl.handle.net/10256/8653
http://dx.doi.org/10.1002/ejic.201201154
1099-0682
Five new tetradentate N-donor ligands with the spirobi(chroman) skeleton (either chiral or racemic) have been synthesized and fully characterized by NMR, EST-MS, and optical polarimetry. These ligands have been coordinated to a series of manganese salts, affording a family of new chiral and racemic Mn-II complexes, which have also been characterized through analytical and spectroscopic techniques. The crystallographic structures of five of them have been obtained by X-ray diffraction; all show a distorted octahedral geometry with the ligand adopting a cis-alpha conformation over the Mn ion. All the complexes have been tested in the catalytic epoxidation of styrene, showing that both conversion and selectivity values increase in the presence of additives in the catalytic media. Experimental results and computational calculations explain the stereospecificity for the cis epoxide in the epoxidation of cis-beta-methylstyrene mediated by one of the complexes synthesized
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T13:11:58Z
No. of bitstreams: 1
N-Tetradentate.pdf: 1375502 bytes, checksum: 46249e87f45d3f42bb2e1c74c5057f73 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T13:12:17Z (GMT) No. of bitstreams: 1
N-Tetradentate.pdf: 1375502 bytes, checksum: 46249e87f45d3f42bb2e1c74c5057f73 (MD5)
Made available in DSpace on 2013-12-03T13:12:17Z (GMT). No. of bitstreams: 1
N-Tetradentate.pdf: 1375502 bytes, checksum: 46249e87f45d3f42bb2e1c74c5057f73 (MD5)
Previous issue date: 2013
This research has been financed by the Spanish Ministerio de Economia y Competitividad (MINECO) through projects CTQ2010-21532-C02-01, CTQ2011-23156/BQU, CTQ2008-00683, and Consolider Ingenio 2010 (CSD2006_0003). J. R. thanks the Universitat of Girona for a BR predoctoral grant. A. P. thanks MINECO for a Ramon y Cajal contract (reference number RYC-2009-05226) and the European Commission for a Career Integration Grant (CIG09-GA-2011-293900). Z. F. thanks MINECO for a Ramon y Cajal contract. M. S. thanks the Catalan DIUE of the Generalitat de Catalunya (grant number 2009SGR637) and ICREA-Academia for an award
application/pdf
eng
Wiley-VCH Verlag
info:eu-repo/grantAgreement/MICINN//RYC-2009-05226/ES/RYC-2009-05226/
info:eu-repo/grantAgreement/MICINN//CTQ2010-21532-C02-01/ES/MIMETIZACION DE PROCESOS BIOINORGANICOS Y APLICACIONES CATALITICAS CON COMPUESTOS DE METALES DE TRANSICION./
info:eu-repo/grantAgreement/MICINN//CTQ2011-23156/ES/AVANCES EN CATALISIS Y AROMATICIDAD/
AGAUR/2009-2014/2009 SGR-637
Reproducció digital del document publicat a: http://dx.doi.org/10.1002/ejic.201201154
© European Journal of Inorganic Chemistry, 2013, núm. 7, 1213-1224
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/293900/EU/Ab initio Statics and Molecular Dynamics Simulation of Olefin Metathesis Catalysts for pharmacological purposes/COMPUTEDRUG
FP7
COMPUTEDRUG
RYC-2009-05226
AVANCES EN CATALISIS Y AROMATICIDAD
MIMETIZACION DE PROCESOS BIOINORGANICOS Y APLICACIONES CATALITICAS CON COMPUESTOS DE METALES DE TRANSICION.
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Catàlisi asimètrica
Enantioselective catalysis
Compostos heterocíclics
Heterocyclic compounds
Hidrogenació
Hydrogenation
N-Tetradentate SPANamine Derivatives and Their Mn-II-Complexes as Catalysts for Epoxidation of Alkenes
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
N-Tetradentate.pdf
N-Tetradentate.pdf
application/pdf
1375502
https://dugi-doc.udg.edu/bitstream/10256/8653/1/N-Tetradentate.pdf
46249e87f45d3f42bb2e1c74c5057f73
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8653/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
N-Tetradentate.pdf.jpg
N-Tetradentate.pdf.jpg
Generated Thumbnail
image/jpeg
3380
https://dugi-doc.udg.edu/bitstream/10256/8653/3/N-Tetradentate.pdf.jpg
e19660bbbff81a53ade9f0a4ae57031b
MD5
3
10256/8653
oai:dugi-doc.udg.edu:10256/8653
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86552024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Poater Teixidor, Albert
Credendino, Raffaele
Slugovc, Christian
Cavallo, Luigi
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2013-12-03T14:21:48Z
2013-12-03T14:21:48Z
2013
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
1477-9226
http://hdl.handle.net/10256/8655
http://dx.doi.org/10.1039/c3dt32884h
1477-9234
Density functional theory calculations were used to predict the behaviour of a potential novel architecture of olefin metathesis catalysts, in which one of the neutral ligands of classical Ru-based catalysts, e. g. a phosphine or an N-heterocyclic carbene, is replaced by an alkylidene group. Introduction of a second alkylidene ligand favors dissociation of the remaining phosphine and the overall energy profile for the metathesis using ethylene as the probe substrate reveals that the proposed bis-alkylidene complexes might match the requirements of a good performing olefin metathesis catalyst
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T14:21:28Z
No. of bitstreams: 1
ExploringNewGenerations.pdf: 916802 bytes, checksum: 94075d03e101dcb672bd3502f3d59f0b (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T14:21:47Z (GMT) No. of bitstreams: 1
ExploringNewGenerations.pdf: 916802 bytes, checksum: 94075d03e101dcb672bd3502f3d59f0b (MD5)
Made available in DSpace on 2013-12-03T14:21:48Z (GMT). No. of bitstreams: 1
ExploringNewGenerations.pdf: 916802 bytes, checksum: 94075d03e101dcb672bd3502f3d59f0b (MD5)
Previous issue date: 2013
The research leading to these results has received funding from the European Community's Seventh Framework Programme (FP7/2007-2013) under grant agreement no. CP-FP 211468-2 EUMET. A. P. and L. C. thank BSC (QCM-2010-2-0020), and the HPC team of Enea for using the ENEA-GRID and the HPC facilities CRESCO in Portici (Italy) for access to remarkable computational resources. A. P. thanks the Spanish MICINN for a Ramon y Cajal contract (RYC-2009-05226), European Commission for a Career Integration Grant (CIG09-GA-2011-293900), and Generalitat de Catalunya (2011BE100793)
application/pdf
eng
Royal Society of Chemistry
info:eu-repo/grantAgreement/MICINN//RYC-2009-05226/ES/RYC-2009-05226/
AGAUR/2011BE100793
Reproducció digital del document publicat a: http://dx.doi.org/10.1039/c3dt32884h
© Dalton Transactions, 2013, vol. 42, núm. 20, p. 7271-7275
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/293900/EU/Ab initio Statics and Molecular Dynamics Simulation of Olefin Metathesis Catalysts for pharmacological purposes/COMPUTEDRUG
FP7
-1
COMPUTEDRUG
-1
RYC-2009-05226
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Ruteni -- Compostos
Ruthenium compounds
Density functionals
Funcional de densitat, Teoria del
Catalitzadors
Catalysts
Exploring new generations of ruthenium olefin metathesis catalysts: the reactivity of a bis-ylidene ruthenium complex by DFT
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
ExploringNewGenerations.pdf
ExploringNewGenerations.pdf
application/pdf
916802
https://dugi-doc.udg.edu/bitstream/10256/8655/1/ExploringNewGenerations.pdf
94075d03e101dcb672bd3502f3d59f0b
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8655/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
ExploringNewGenerations.pdf.jpg
ExploringNewGenerations.pdf.jpg
Generated Thumbnail
image/jpeg
3376
https://dugi-doc.udg.edu/bitstream/10256/8655/3/ExploringNewGenerations.pdf.jpg
556fefbe6ec3dec3f21b2265a8696f32
MD5
3
10256/8655
oai:dugi-doc.udg.edu:10256/8655
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86562024-02-21T12:48:09Zcom_10256_1531com_10256_2943com_10256_9553col_10256_1551col_10256_8010col_10256_10899col_10256_9554RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Falivene, Laura
Poater Teixidor, Albert
Cazin, Catherine S. J.
Slugovc, Christian
Cavallo, Luigi
Ministerio de Ciencia e Innovación (Espanya)
2013-12-03T14:31:08Z
2013-12-03T14:31:08Z
2013
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
1477-9226
http://hdl.handle.net/10256/8656
http://dx.doi.org/10.1039/c2dt32277c
1477-9234
A DFT analysis of the strength of the Ru-halide bond in a series of typical olefin metathesis (pre)catalysts is presented. The calculated Ru-halide bond energies span the rather broad window of 25-43 kcal mol(-1). This indicates that in many systems dissociation of the Ru-halide bond is possible and is actually competitive with dissociation of the labile ligand generating the 14e active species. Consequently, formation of cationic Ru species in solution should be considered as a possible event
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T14:30:49Z
No. of bitstreams: 1
EnergeticsRutheniumpdf.pdf: 216490 bytes, checksum: bc531259849e14f573548d825189d95f (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T14:31:08Z (GMT) No. of bitstreams: 1
EnergeticsRutheniumpdf.pdf: 216490 bytes, checksum: bc531259849e14f573548d825189d95f (MD5)
Made available in DSpace on 2013-12-03T14:31:08Z (GMT). No. of bitstreams: 1
EnergeticsRutheniumpdf.pdf: 216490 bytes, checksum: bc531259849e14f573548d825189d95f (MD5)
Previous issue date: 2013
The authors are grateful to the European Commission (FP7 grant CP-FP 211468-2 EUMET and CIG09-GA-2011-293900 to AP), to the Spanish MICINN (Ramon y Cajal contract RYC-2009-05226 to AP) and to the Royal Society (University Research Fellowship to CSJC). LC thanks ENEA (http://www.enea.it) and the HPC team for support as for using the ENEA-GRID and the HPC facilities CRESCO (http://www.cresco.enea.it) Portici (Naples, Italy)
application/pdf
eng
Royal Society of Chemistry
info:eu-repo/grantAgreement/MICINN//RYC-2009-05226/ES/RYC-2009-05226/
Reproducció digital del document publicat a: http://dx.doi.org/10.1039/c2dt32277c
© Dalton Transactions, 2013, vol. 42, núm. 20, p. 7312-7317
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/293900/EU/Ab initio Statics and Molecular Dynamics Simulation of Olefin Metathesis Catalysts for pharmacological purposes/COMPUTEDRUG
FP7
-1
COMPUTEDRUG
-1
RYC-2009-05226
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Ruteni -- Compostos
Ruthenium compounds
Catalitzadors
Catalysts
Metàtesi (Química)
Metathesis (Chemistry)
Energetics of the ruthenium-halide bond in olefin metathesis (pre)catalysts
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
EnergeticsRutheniumpdf.pdf
EnergeticsRutheniumpdf.pdf
application/pdf
216490
https://dugi-doc.udg.edu/bitstream/10256/8656/1/EnergeticsRutheniumpdf.pdf
bc531259849e14f573548d825189d95f
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8656/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
EnergeticsRutheniumpdf.pdf.jpg
EnergeticsRutheniumpdf.pdf.jpg
Generated Thumbnail
image/jpeg
3301
https://dugi-doc.udg.edu/bitstream/10256/8656/3/EnergeticsRutheniumpdf.pdf.jpg
6686a96806179ce3597a26e7955df893
MD5
3
10256/8656
oai:dugi-doc.udg.edu:10256/8656
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86572024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Poater Teixidor, Albert
Falivene, Laura
Urbina-Blanco, Cesar A.
Manzini, Simone
Nolan, Steven P.
Cavallo, Luigi
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2013-12-03T14:39:47Z
2013-12-03T14:39:47Z
2013
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
1477-9226
http://hdl.handle.net/10256/8657
http://dx.doi.org/10.1039/c3dt32980a
1477-9234
Density functional theory (DFT) calculations were used to predict and rationalize the effect of the modification of the structure of the prototype 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene) N-heterocyclic carbene (NHC) ligand. The modification consists in the substitution of the methyl groups of ortho isopropyl substituent with phenyl groups, and here we plan to describe how such significant changes affect the metal environment and therefore the related catalytic behaviour. Bearing in mind that there is a significant structural difference between both ligands in different olefin metathesis reactions, here by means of DFT we characterize where the NHC ligand plays a more active role and where it is a simple spectator, or at least its modification does not significantly change its catalytic role/performance
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T14:39:28Z
No. of bitstreams: 1
HowAddition.pdf: 2475121 bytes, checksum: e5a8688b7379ade8c0a46a86b544a0d2 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T14:39:47Z (GMT) No. of bitstreams: 1
HowAddition.pdf: 2475121 bytes, checksum: e5a8688b7379ade8c0a46a86b544a0d2 (MD5)
Made available in DSpace on 2013-12-03T14:39:47Z (GMT). No. of bitstreams: 1
HowAddition.pdf: 2475121 bytes, checksum: e5a8688b7379ade8c0a46a86b544a0d2 (MD5)
Previous issue date: 2013
The research leading to these results has received funding from the European Community's Seventh Framework Programme (FP7/2007-2013) under grant agreement no. CP-FP 211468-2 EUMET. A. P. and L. C. thank BSC (QCM-2010-2-0020), and the HPC team of Enea for using the ENEA-GRID and the HPC facilities CRESCO in Portici (Italy) for access to remarkable computational resources. A. P. thanks the Spanish MICINN for a Ramon y Cajal contract (RYC-2009-05226), European Commission for a Career Integration Grant (CIG09-GA-2011-293900), and Generalitat de Catalunya (2011BE100793)
application/pdf
eng
Royal Society of Chemistry
info:eu-repo/grantAgreement/MICINN//RYC-2009-05226/ES/RYC-2009-05226/
AGAUR/2011BE100793
Reproducció digital del document publicat a: http://dx.doi.org/10.1039/c3dt32980a
© Dalton Transactions, 2013, vol. 42, núm. 20, p. 7433-7439
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/293900/EU/Ab initio Statics and Molecular Dynamics Simulation of Olefin Metathesis Catalysts for pharmacological purposes/COMPUTEDRUG
FP7
-1
COMPUTEDRUG
-1
RYC-2009-05226
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Ruteni -- Compostos
Ruthenium compounds
Density functionals
Funcional de densitat, Teoria del
Metàtesi (Química)
Metathesis (Chemistry)
How does the addition of steric hindrance to a typical N-heterocyclic carbene ligand affect catalytic activity in olefin metathesis?
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
HowAddition.pdf
HowAddition.pdf
application/pdf
2475121
https://dugi-doc.udg.edu/bitstream/10256/8657/1/HowAddition.pdf
e5a8688b7379ade8c0a46a86b544a0d2
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8657/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
HowAddition.pdf.jpg
HowAddition.pdf.jpg
Generated Thumbnail
image/jpeg
3294
https://dugi-doc.udg.edu/bitstream/10256/8657/3/HowAddition.pdf.jpg
03ffdc599edffd6f727dfdae982adc94
MD5
3
10256/8657
oai:dugi-doc.udg.edu:10256/8657
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86582024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Bantreil, Xavier
Poater Teixidor, Albert
Urbina-Blanco, Cesar A.
Bidal, Yannick D.
Falivene, Laura
Randall, Rebecca A. M.
Cavallo, Luigi
Slawin, Alexandra M. Z.
Cazin, Catherine S. J.
2013-12-03T14:50:25Z
2013-12-03T14:50:25Z
2012
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
0276-7333
http://hdl.handle.net/10256/8658
http://dx.doi.org/10.1021/om300703p
1520-6041
The synthesis of the four olefin metathesis precatalysts Caz-1a-d, featuring the NHC ligand N,N'-bis(2,4,6-trimethylphenyl)imidazolin-2-ylidene (SIMes) and four different phosphites (P((OPr)-Pr-i)(3), P(OPh)(3), P(OEt)(3), and P(OMe)(3)), is reported. The complexes are readily synthesized from commercially available [RuCl2(3-phenylinden-1-ylidene)-(pyridine)(SIMes)] (Ind-III) in yields of up to 88%. These complexes adopt an unusual cis configuration between the phosphite and the NHC ligands. NMR experiments and computational studies confirm that the cis complexes are thermodynamically favored in comparison to their trans counterparts. In addition, the isomerization from trans to cis occurs via a mononuclear and non-dissociative mechanism. Among the four precatalysts, cis-Caz-1a, featuring a P((OPr)-Pr-i)(3) ligand, displays the highest activity in ring-closing metathesis and cross-metathesis transformations. Experiments at low catalyst loadings demonstrated the potential of this catalyst, allowing better conversions than with commonly used commercially available precatalysts
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T14:50:07Z
No. of bitstreams: 1
SynthesisReactivity.pdf: 671430 bytes, checksum: acc55c248f6a4b02783f06afccd7e94f (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T14:50:25Z (GMT) No. of bitstreams: 1
SynthesisReactivity.pdf: 671430 bytes, checksum: acc55c248f6a4b02783f06afccd7e94f (MD5)
Made available in DSpace on 2013-12-03T14:50:25Z (GMT). No. of bitstreams: 1
SynthesisReactivity.pdf: 671430 bytes, checksum: acc55c248f6a4b02783f06afccd7e94f (MD5)
Previous issue date: 2012
We gratefully acknowledge the Royal Society (University Research Fellowship to C.S.J.C.), the EC (CP-FP 211468-2 EUMET and CIG09-GA-2011-293900), the Spanish MINECO (RYC-2009-05226 to A.P.) and the Catalan Government (BE-2011 to A.P.) for funding
application/pdf
eng
American Chemical Society
info:eu-repo/grantAgreement/MICINN//RYC-2009-05226/ES/RYC-2009-05226/
Reproducció digital del document publicat a: http://dx.doi.org/10.1021/om300703p
© Organometallics, 2012, vol. 31, núm. 21, p. 7415-7426
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/293900/EU/Ab initio Statics and Molecular Dynamics Simulation of Olefin Metathesis Catalysts for pharmacological purposes/COMPUTEDRUG
FP7
-1
COMPUTEDRUG
-1
RYC-2009-05226
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Ruteni -- Compostos -- Síntesi
Ruthenium compounds -- Synthesis
Catalitzadors
Catalysts
Metàtesi (Química)
Metathesis (Chemistry)
Synthesis and Reactivity of Ruthenium Phosphite Indenylidene Complexes
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
SynthesisReactivity.pdf
SynthesisReactivity.pdf
application/pdf
671430
https://dugi-doc.udg.edu/bitstream/10256/8658/1/SynthesisReactivity.pdf
acc55c248f6a4b02783f06afccd7e94f
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8658/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
SynthesisReactivity.pdf.jpg
SynthesisReactivity.pdf.jpg
Generated Thumbnail
image/jpeg
3507
https://dugi-doc.udg.edu/bitstream/10256/8658/3/SynthesisReactivity.pdf.jpg
1518570afb3020f9f0225d2b996a18dc
MD5
3
10256/8658
oai:dugi-doc.udg.edu:10256/8658
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86592024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Lamberti, Marina
Fortman, George C.
Poater Teixidor, Albert
Broggi, Julie
Slawin, Alexandra M. Z.
Cavallo, Luigi
Nolan, Steven P.
Ministerio de Ciencia e Innovación (Espanya)
2013-12-03T15:11:49Z
2013-12-03T15:11:49Z
2012
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
0276-7333
http://hdl.handle.net/10256/8659
http://dx.doi.org/10.1021/om2012425
1520-6041
The performance of 16-electron ruthenium complexes with the general formula Cp*Ru(L)X (in which L = phosphine or N-heterocyclic carbene ligand; X = Cl or OCH2CF3) was explored in azide-alkyne cycloaddition reactions that afford the 1,2,3-triazole products. The scope of the Cp*Ru((PPr3)-Pr-i)Cl precatalyst was investigated for terminal alkynes leading to new 1,5-disubstituted 1,2,3-triazoles in high yields. Mechanistic studies were conducted and revealed a number of proposed intermediates. Cp*Ru((PPr3)-Pr-i)(eta(2)-HCCPh)Cl was observed and characterized by H-1, C-13, and P-31 NMR at temperatures between 273 and 213 K. A rare example of N,N-kappa(2)-phosphazide complex, Cp*Ru(kappa(2)-(Pr3PN3Bn)-Pr-i)Cl, was fully characterized, and a single-crystal X-ray diffraction structure was obtained. DFT calculations describe a complete map of the catalytic reactivity with phenylacetylene and/or benzylazide
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T15:11:30Z
No. of bitstreams: 1
CoordinativelyUnsaturated.pdf: 634080 bytes, checksum: 2d08e851337a995c0d1f5dfa2b834141 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T15:11:49Z (GMT) No. of bitstreams: 1
CoordinativelyUnsaturated.pdf: 634080 bytes, checksum: 2d08e851337a995c0d1f5dfa2b834141 (MD5)
Made available in DSpace on 2013-12-03T15:11:49Z (GMT). No. of bitstreams: 1
CoordinativelyUnsaturated.pdf: 634080 bytes, checksum: 2d08e851337a995c0d1f5dfa2b834141 (MD5)
Previous issue date: 2012
S.P.N. would like to thank the ERC (Advanced Researcher Award FUNCAT) for financial support. A.P. thanks the Spanish MICINN for a Ramon y Cajal contract (ref RYC-2009-05226) and the European Commission for a Career Integration Grant (CIG09-GA-2011-293900)
application/pdf
eng
American Chemical Society
info:eu-repo/grantAgreement/MICINN//RYC-2009-05226/ES/RYC-2009-05226/
Reproducció digital del document publicat a: http://dx.doi.org/10.1021/om2012425
© Organometallics, 2012, vol. 31, núm. 2, p. 756-767
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/293900/EU/Ab initio Statics and Molecular Dynamics Simulation of Olefin Metathesis Catalysts for pharmacological purposes/COMPUTEDRUG
FP7
-1
COMPUTEDRUG
-1
RYC-2009-05226
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Ruteni -- Compostos
Ruthenium compounds
Catalitzadors
Catalysts
Metàtesi (Química)
Metathesis (Chemistry)
Ciclització (Química)
Ring formation (Chemistry)
Coordinatively Unsaturated Ruthenium Complexes As Efficient Alkyne-Azide Cycloaddition Catalysts
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
CoordinativelyUnsaturated.pdf
CoordinativelyUnsaturated.pdf
application/pdf
634080
https://dugi-doc.udg.edu/bitstream/10256/8659/1/CoordinativelyUnsaturated.pdf
2d08e851337a995c0d1f5dfa2b834141
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8659/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
CoordinativelyUnsaturated.pdf.jpg
CoordinativelyUnsaturated.pdf.jpg
Generated Thumbnail
image/jpeg
3539
https://dugi-doc.udg.edu/bitstream/10256/8659/3/CoordinativelyUnsaturated.pdf.jpg
07907b7a64c894dd8b9059b4191055d1
MD5
3
10256/8659
oai:dugi-doc.udg.edu:10256/8659
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86602024-02-21T12:48:09Zcom_10256_1531com_10256_2943com_10256_9553col_10256_1551col_10256_8010col_10256_10899col_10256_9554RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Manzini, Simone
Urbina-Blanco, Cesar A.
Poater Teixidor, Albert
Slawin, Alexandra M. Z.
Cavallo, Luigi
Nolan, Steven P.
Ministerio de Ciencia e Innovación (Espanya)
2013-12-03T15:23:53Z
2013-12-03T15:23:53Z
2012
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
1433-7851
http://hdl.handle.net/10256/8660
http://dx.doi.org/10.1002/anie.201106915
1521-3773
Aquest mateix article està publicat a l'edició alemanya d''Angewandte Chemie' (ISSN 0044-8249, EISSN 1521-3757), 2012, vol.124, núm. 4, p. 1066–1069. DOI http://dx.doi.org/10.1002/ange.201106915
From olefin metathesis catalyst to alcohol racemization catalyst in one step
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T15:23:31Z
No. of bitstreams: 1
FromOlefinMetathesis.pdf: 444952 bytes, checksum: 9ac64ac3cf8d29b8c5bf3d0fd499ecda (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T15:23:53Z (GMT) No. of bitstreams: 1
FromOlefinMetathesis.pdf: 444952 bytes, checksum: 9ac64ac3cf8d29b8c5bf3d0fd499ecda (MD5)
Made available in DSpace on 2013-12-03T15:23:53Z (GMT). No. of bitstreams: 1
FromOlefinMetathesis.pdf: 444952 bytes, checksum: 9ac64ac3cf8d29b8c5bf3d0fd499ecda (MD5)
Previous issue date: 2012
The research leading to these results has received funding from the European Community's Seventh Framework Programme (FP7/2007-2013) under grant agreement no. CP-FP 211468-2 EUMET. S.P.N. is a Royal Society Wolfson Research Merit Award holder. L.C. thanks BSC (QCM-2010-2-0020), and the HPC team of Enea for the use of the ENEA-GRID and the HPC facilities, and CRESCO, in Portici (Italy) for access to remarkable computational resources. A.P. thanks the Spanish MICINN for a Ramon y Cajal contract (RYC-2009-04170) and the European Commission for a Career Integration Grant (CIG09-GA-2011-293900)
application/pdf
eng
Wiley-VCH Verlag
info:eu-repo/grantAgreement/MICINN//RYC-2009-04170/ES/RYC-2009-04170/
Reproducció digital del document publicat a: http://dx.doi.org/10.1002/anie.201106915
© Angewandte Chemie International Edition, 2012, vol. 51, núm. 4, p. 1042-1045
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/293900/EU/Ab initio Statics and Molecular Dynamics Simulation of Olefin Metathesis Catalysts for pharmacological purposes/COMPUTEDRUG
FP7
-1
COMPUTEDRUG
-1
RYC-2009-04170
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Catalitzadors
Catalysts
Metàtesi (Química)
Metathesis (Chemistry)
Ruteni -- Compostos
Ruthenium compounds
From Olefin Metathesis Catalyst to Alcohol Racemization Catalyst in One Step
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
THUMBNAIL
FromOlefinMetathesis.pdf.jpg
FromOlefinMetathesis.pdf.jpg
Generated Thumbnail
image/jpeg
3092
https://dugi-doc.udg.edu/bitstream/10256/8660/3/FromOlefinMetathesis.pdf.jpg
798a451fad4109d48cce13228f5b6874
MD5
3
FromOlefinMetathesis-IntEdEnglish.pdf.jpg
FromOlefinMetathesis-IntEdEnglish.pdf.jpg
Generated Thumbnail
image/jpeg
3092
https://dugi-doc.udg.edu/bitstream/10256/8660/5/FromOlefinMetathesis-IntEdEnglish.pdf.jpg
798a451fad4109d48cce13228f5b6874
MD5
5
FromOlefinMetathesis-GermanEdition.pdf.jpg
FromOlefinMetathesis-GermanEdition.pdf.jpg
Generated Thumbnail
image/jpeg
3091
https://dugi-doc.udg.edu/bitstream/10256/8660/6/FromOlefinMetathesis-GermanEdition.pdf.jpg
3be6bc12d4e5bcf1a8736d0fecb3bab1
MD5
6
ORIGINAL
FromOlefinMetathesis-IntEdEnglish.pdf
FromOlefinMetathesis-IntEdEnglish.pdf
English edition
application/pdf
444952
https://dugi-doc.udg.edu/bitstream/10256/8660/1/FromOlefinMetathesis-IntEdEnglish.pdf
9ac64ac3cf8d29b8c5bf3d0fd499ecda
MD5
1
FromOlefinMetathesis-GermanEdition.pdf
FromOlefinMetathesis-GermanEdition.pdf
German edition
application/pdf
437602
https://dugi-doc.udg.edu/bitstream/10256/8660/4/FromOlefinMetathesis-GermanEdition.pdf
139e17c575d935e1627ea96ef5b3fc89
MD5
4
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8660/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
10256/8660
oai:dugi-doc.udg.edu:10256/8660
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86622024-02-21T12:14:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Ramos Cordoba, Eloy
Matito i Gras, Eduard
Salvador Sedano, Pedro
Mayer, István
Ministerio de Ciencia e Innovación (Espanya)
2013-12-03T16:07:30Z
2013-12-03T16:07:30Z
2012
1463-9076
http://hdl.handle.net/10256/8662
http://dx.doi.org/10.1039/c2cp42513k
016131
1463-9084
The decomposition of h <(S) over cap (2)> for a general wave function has been carried out in the framework of the Hilbert-space analysis. The one and two-center components fulfill all physical requirements imposed to date. An inherent ambiguity of the Hilbert-space decomposition of a two-electron quantity, in particular using a Mulliken-type scheme, is also discussed in detail. The formalism of effective atomic densities has allowed us to derive in a simple manner appropriate expressions for the decomposition of <(S) over cap (2)> i in the framework of Hilbert space analysis that are consistent with Mulliken population analysis and related quantities. Using a particular mapping we have derived the Hilbert-space expressions also in the framework of Lowdin population analysis in a straightforward manner. The numerical results obtained with the latter formalism have proved to be more robust and reliable
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T16:07:11Z
No. of bitstreams: 1
LocalSpins.pdf: 903355 bytes, checksum: f1fb2a70055fddbc22269c42c5cf8934 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-03T16:07:30Z (GMT) No. of bitstreams: 1
LocalSpins.pdf: 903355 bytes, checksum: f1fb2a70055fddbc22269c42c5cf8934 (MD5)
Made available in DSpace on 2013-12-03T16:07:30Z (GMT). No. of bitstreams: 1
LocalSpins.pdf: 903355 bytes, checksum: f1fb2a70055fddbc22269c42c5cf8934 (MD5)
Previous issue date: 2012
Financial help has been furnished by the Spanish MICINN Projects No. CTQ2011-23441/BQU, CTQ2011-23156/BQU and Accion Complementaria del MCI (PCI2006-A7-0631). Financial support from MICINN and the FEDER fund (European Fund for Regional Development) was also provided by grant UNGI08-4E-003. E. R.-C. acknowledges support from the Spanish FPU program (Grant No. AP2008-01231). E. M. acknowledges financial support from the EU under a Marie Curie Career Integration grant (PCI09-GA-2011-294240) and the Beatriu de Pinos program from AGAUR for the postdoctoral grant (BP_B_00236). I. M. acknowledges partial financial support from the Hungarian Scientific Research Fund (grant OTKA 71816)
application/pdf
eng
Royal Society of Chemistry
info:eu-repo/grantAgreement/MICINN//CTQ2011-23441/ES/NUEVOS ENFOQUES PARA EL ESTUDIO COMPUTACIONAL DE BIOMOLECULAS, INTERACCIONES DE ESPIN EN AGREGADOS METALICOS Y SISTEMAS MOLECULARES DE ALMACENAMIENTO DE HIDROGENO/
info:eu-repo/grantAgreement/MICINN//CTQ2011-23156/ES/AVANCES EN CATALISIS Y AROMATICIDAD/
Versió postprint del document publicat a: http://dx.doi.org/10.1039/c2cp42513k
© Physical Chemistry Chemical Physics, 2012, vol. 14, núm. 44, p. 15291-15298
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/294240/EU/Development of new non-empirical DFT functionals./NEWDFTFUNCT
FP7
NEWDFTFUNCT
NUEVOS ENFOQUES PARA EL ESTUDIO COMPUTACIONAL DE BIOMOLECULAS, INTERACCIONES DE ESPIN EN AGREGADOS METALICOS Y SISTEMAS MOLECULARES DE ALMACENAMIENTO DE HIDROGENO
AVANCES EN CATALISIS Y AROMATICIDAD
Tots els drets reservats
info:eu-repo/semantics/openAccess
Hilbert, Espais de
Hilbert space
Funcions d'ona
Wave functions
Local spins: improved Hilbert-space analysis
info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
Cap
NO
ORIGINAL
accepted_8662.pdf
accepted_8662.pdf
application/pdf
146931
https://dugi-doc.udg.edu/bitstream/10256/8662/4/accepted_8662.pdf
84bba7fb337679ebfbde15117950e268
MD5
4
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8662/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
LocalSpins.pdf.jpg
LocalSpins.pdf.jpg
Generated Thumbnail
image/jpeg
3260
https://dugi-doc.udg.edu/bitstream/10256/8662/3/LocalSpins.pdf.jpg
4171a072e93ca89f62515a95bb936480
MD5
3
10256/8662
oai:dugi-doc.udg.edu:10256/8662
2024-02-21 13:14:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86662024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Prat Casellas, Irene
Company Casadevall, Anna
Corona Prieto, Teresa
Parella Coll, Teodor
Ribas Salamaña, Xavi
Costas Salgueiro, Miquel
European Research Council
Ministerio de Economía y Competitividad (Espanya)
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2013-12-05T08:25:56Z
2013-12-05T08:25:56Z
2013
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
0020-1669
http://hdl.handle.net/10256/8666
http://dx.doi.org/10.1021/ic4004033
1520-510X
A family of iron complexes with the general formula [Fe-II((R,R)'Pytacn)(X)(2)](n+) is described, where (R,R)'Pytacn is the tetradentate ligand 1-[(4-R'-6-R-2-pyridyl)methyl]-4,7-dimethyl-1,4,7-triazacyclononane, R refers to the group at the alpha-position of the pyridine, R' corresponds to the group at the gamma-position, and X denotes CH3CN or CF3SO3. Herein, we study the influence of the pyridine substituents R and R' on the electronic properties of the coordinated iron center by a combination of structural and spectroscopic characterization using X-ray diffraction, H-1 NMR and UV-vis spectroscopies, and magnetic susceptibility measurements. The electronic properties of the substituent in the gamma-position of the pyridine ring (R') modulate the strength of the ligand field, as shown by magnetic susceptibility measurements in CD3CN solution, which provide a direct indication of the population of the magnetically active high-spin S = 2 ferrous state. Indeed, a series of complexes [Fe-II((H,R)'Pytacn)(CD3CN)(2)](2+) exist as mixtures of high-spin (S = 2) and low-spin (S = 0) complexes, and their effective magnetic moment directly correlates with the electron-releasing ability of R'. On the other hand, the substitution of the hydrogen atom in the alpha-position of the pyridine by a methyl, chlorine, or fluorine group favors the high-spin state. The whole family of complexes has been assayed in catalytic C H and C=C oxidation reactions with H2O2. These catalysts exhibit excellent efficiency in the stereospecific hydroxylation of alkanes and in the oxidation of olefins. Remarkably, R'-substituents have little influence on the efficiency and chemoselectivity of the catalytic activity of the complexes, but the selectivity toward olefin cis-dihydroxylation is enhanced for complexes with R = Me, F, or Cl. Isotopic labeling studies in the epoxidation and cis-dihydroxylation reactions show that R has a definitive role in dictating the origin of the oxygen atom that is transferred in the epoxidation reaction
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-05T08:25:26Z
No. of bitstreams: 1
AssessingImpact.pdf: 698664 bytes, checksum: 50224e88cb6c89b82733c9e7f9d141c1 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-05T08:25:56Z (GMT) No. of bitstreams: 1
AssessingImpact.pdf: 698664 bytes, checksum: 50224e88cb6c89b82733c9e7f9d141c1 (MD5)
Made available in DSpace on 2013-12-05T08:25:56Z (GMT). No. of bitstreams: 1
AssessingImpact.pdf: 698664 bytes, checksum: 50224e88cb6c89b82733c9e7f9d141c1 (MD5)
Previous issue date: 2013
Financial support for this work was provided by the Spanish Ministry of Science (Project CTQ2012-37420-C02-01/BQU and Consolider Ingenio Ingenio/CSD2010-00065 to M.C. and X.R. and project CTQ2012-32436 to T.P.) and the European Research Council (ERC-2009-StG-239910 to M.C.). M.C. and X.R. acknowledge Generalitat de Catalunya for ICREA-Academia Awards and 2009-SGR637. A.C. acknowledges the European Commission for a Career Integration Grant (FP7-PEOPLE-2011-CIG-303522). The Spanish Ministry of Science is acknowledged for a FPU PhD grant to I.P. and for a Ramon y Cajal contract to A.C. We thank Catexel for a generous gift of tritosyl-1,4,7-triazacyclononane. X.R. is grateful for financial support from INNPLANTA project IPN-2011-0059-PCT-4200 0-ACT1
application/pdf
eng
American Chemical Society
info:eu-repo/grantAgreement/MINECO//CTQ2012-37420-C02-01/ES/DISEÑO BIOINSPIRADO DE CATALIZADORES PARA LA OXIDACION DE ENLACES C-H, C=C Y AGUA/
MICINN/PN 2010-2016/CSD2010-00065
AGAUR/2009-2014/2009 SGR-637
Reproducció digital del document publicat a: http://dx.doi.org/10.1021/ic4004033
© Inorganic Chemistry, 2013, vol. 52, núm. 16, p. 9229-9244
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/303522/EU/Key insights into oxidation chemistry through synthetic systems: N2O activation with first-row transition-metals and O2 activation in heterobimetallic Fe-Ni systems/NEWOXMET
info:eu-repo/grantAgreement/EC/FP7/239910/EU/Bio-inspired Design of Catalysts for Selective Oxidations of C-H and C=C Bonds/BIDECASEOX
FP7
-1
FP7
-1
NEWOXMET
-1
BIDECASEOX
-1
DISEÑO BIOINSPIRADO DE CATALIZADORES PARA LA OXIDACION DE ENLACES C-H, C=C Y AGUA
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Catalitzadors metàl·lics de transició
Transition metal catalysts
Assessing the Impact of Electronic and Steric Tuning of the Ligand in the Spin State and Catalytic Oxidation Ability of the Fe-II(Pytacn) Family of Complexes
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
AssessingImpact.pdf
AssessingImpact.pdf
application/pdf
698664
https://dugi-doc.udg.edu/bitstream/10256/8666/1/AssessingImpact.pdf
50224e88cb6c89b82733c9e7f9d141c1
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8666/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
AssessingImpact.pdf.jpg
AssessingImpact.pdf.jpg
Generated Thumbnail
image/jpeg
3622
https://dugi-doc.udg.edu/bitstream/10256/8666/3/AssessingImpact.pdf.jpg
ea3ae2b84a5c17dc2352676b0d5be556
MD5
3
10256/8666
oai:dugi-doc.udg.edu:10256/8666
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86672024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Prat Casellas, Irene
Company Casadevall, Anna
Postils Ribó, Verònica
Ribas Salamaña, Xavi
Que, Lawrence
Luis Luis, Josep Maria
Costas Salgueiro, Miquel
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2013-12-05T08:41:18Z
2013-12-05T08:41:18Z
2013
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
0947-6539
http://hdl.handle.net/10256/8667
http://dx.doi.org/10.1002/chem.201300110
017955
1521-3765
A detailed mechanistic study of the hydroxylation of alkane CH bonds using H2O2 by a family of mononuclear non heme iron catalysts with the formula [FeII(CF3SO3)2(L)] is described, in which L is a tetradentate ligand containing a triazacyclononane tripod and a pyridine ring bearing different substituents at the and positions, which tune the electronic or steric properties of the corresponding iron complexes. Two inequivalent cis-labile exchangeable sites, occupied by triflate ions, complete the octahedral iron coordination sphere. The CH hydroxylation mediated by this family of complexes takes place with retention of configuration. Oxygen atoms from water are incorporated into hydroxylated products and the extent of this incorporation depends in a systematic manner on the nature of the catalyst, and the substrate. Mechanistic probes and isotopic analyses, in combination with detailed density functional theory (DFT) calculations, provide strong evidence that CH hydroxylation is performed by highly electrophilic [FeV(O)(OH)L] species through a concerted asynchronous mechanism, involving homolytic breakage of the CH bond, followed by rebound of the hydroxyl ligand. The [FeV(O)(OH)L] species can exist in two tautomeric forms, differing in the position of oxo and hydroxide ligands. Isotopic-labeling analysis shows that the relative reactivities of the two tautomeric forms are sensitively affected by the substituent of the pyridine, and this reactivity behavior is rationalized by computational methods
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-05T08:40:58Z
No. of bitstreams: 1
MechanismStereospecific.pdf: 1121822 bytes, checksum: fc36e9d24d26943f0c46a588c95c8d61 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-05T08:41:18Z (GMT) No. of bitstreams: 1
MechanismStereospecific.pdf: 1121822 bytes, checksum: fc36e9d24d26943f0c46a588c95c8d61 (MD5)
Made available in DSpace on 2013-12-05T08:41:18Z (GMT). No. of bitstreams: 1
MechanismStereospecific.pdf: 1121822 bytes, checksum: fc36e9d24d26943f0c46a588c95c8d61 (MD5)
Previous issue date: 2013
Financial support for this work was provided by the Spanish Ministry of Science (Project CTQ2009-08464/BQU and Consolider Ingenio/CSD2010-00065 to M. C., Project CTQ2011-23156/BQU to J.M.L.) the European Research Council (ERC-2009-StG-239910 to M. C.), and US Department of Energy (DE-FG02-03ER15455 to LQ). M. C. and X. R. acknowledge Generalitat de Catalunya for ICREA Academia Awards and 2009-SGR637. A. C. acknowledges the European Commission for a Career Integration Grant (FP7-PEOPLE-2011-CIG-303522). The Spanish Ministry of Science is acknowledged for a FPU PhD grant to I. P., for a FPI PhD grant to V. P. and for a Ramon y Cajal contract to A. C. We thank Catexel for a generous gift of tritosyl-1,4,7-triazacyclononane
application/pdf
eng
Wiley-VCH Verlag
MICINN/PN 2010-2012/CTQ2009-08464
MICINN/PN 2010-2016/CSD2010-00065
info:eu-repo/grantAgreement/MICINN//CTQ2011-23156/ES/AVANCES EN CATALISIS Y AROMATICIDAD/
AGAUR/2009-2014/2009 SGR-637
Reproducció digital del document publicat a: http://dx.doi.org/10.1002/chem.201300110
© Chemistry : a European Journal, 2013, vol. 19, núm. 21, p. 6724-6738
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/303522/EU/Key insights into oxidation chemistry through synthetic systems: N2O activation with first-row transition-metals and O2 activation in heterobimetallic Fe-Ni systems/NEWOXMET
info:eu-repo/grantAgreement/EC/FP7/239910/EU/Bio-inspired Design of Catalysts for Selective Oxidations of C-H and C=C Bonds/BIDECASEOX
FP7
-1
FP7
-1
BIDECASEOX
-1
NEWOXMET
-1
AVANCES EN CATALISIS Y AROMATICIDAD
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Catalitzadors metàl·lics de transició
Transition metal catalysts
Química bioinorgànica
Bioinorganic chemistry
Funcional de densitat, Teoria del
Density functionals
Oxidació
Oxidation
The Mechanism of Stereospecific CH Oxidation by Fe(Pytacn) Complexes: Bioinspired Non-Heme Iron Catalysts Containing cis-Labile Exchangeable Sites
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
MechanismStereospecific.pdf
MechanismStereospecific.pdf
application/pdf
1121822
https://dugi-doc.udg.edu/bitstream/10256/8667/1/MechanismStereospecific.pdf
fc36e9d24d26943f0c46a588c95c8d61
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8667/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
MechanismStereospecific.pdf.jpg
MechanismStereospecific.pdf.jpg
Generated Thumbnail
image/jpeg
3312
https://dugi-doc.udg.edu/bitstream/10256/8667/3/MechanismStereospecific.pdf.jpg
66ad3913f99dc5f146795f1155215d79
MD5
3
10256/8667
oai:dugi-doc.udg.edu:10256/8667
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/86692024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Islas, Rafael
Poater i Teixidor, Jordi
Matito i Gras, Eduard
Solà i Puig, Miquel
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2013-12-05T09:29:12Z
2013-12-05T09:29:12Z
2012
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
1463-9076
http://hdl.handle.net/10256/8669
http://dx.doi.org/10.1039/c2cp42210g
1463-9084
Al-4(2-) was the first discovered sigma + pi aromatic all-metal cluster. In the present work we analyze the molecular structure, relative stability, and aromaticity of lowest-lying isomers of related M2N22- (M and N = B, Al, and Ga) clusters, with special emphasis devoted to the cis (C-2v) and trans (D-2h) isomers of the M2N22- clusters. For such purpose, we start by performing the search of the global minimum for each cluster through the Gradient Embedded Genetic Algorithm (GEGA). Energy decomposition analyses and the calculated magnetic-and electronic-based aromaticity criteria of the lowest-lying isomers help to understand the nature of the bonding and the origin of the stability of the global minima. Such methodology should allow guiding future molecular design strategies
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2013-12-05T09:28:50Z
No. of bitstreams: 1
MolecularStructures.pdf: 2619619 bytes, checksum: 94f90792bb6abef67ff35a3778a2753c (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2013-12-05T09:29:12Z (GMT) No. of bitstreams: 1
MolecularStructures.pdf: 2619619 bytes, checksum: 94f90792bb6abef67ff35a3778a2753c (MD5)
Made available in DSpace on 2013-12-05T09:29:12Z (GMT). No. of bitstreams: 1
MolecularStructures.pdf: 2619619 bytes, checksum: 94f90792bb6abef67ff35a3778a2753c (MD5)
Previous issue date: 2012
The authors are grateful to the Research Executive Agency of the European Research Council for financial support through the PIRSES-GA-2009-247671 project of the FP7-PEOPLE-2009-IRSES program. RI thanks the same organization for the postdoctoral fellowship received from the same project. Moreover, the following organizations are thanked for financial support: the Ministerio de Ciencia e Innovacion (MICINN, project numbers CTQ2011-23156/BQU and CTQ2011-25086/BQU), the Generalitat de Catalunya (project number 2009SGR637 and Xarxa de Referencia en Quimica Teorica i Computacional), and the FEDER fund (European Fund for Regional Development) for the grant UNGI08-4E-003. Excellent service by the Centre de Serveis Cientifics i Academics de Catalunya (CESCA) is gratefully acknowledged. The authors also are grateful to the computer resources, technical expertise, and assistance provided by the Barcelona Supercomputing Center - Centro Nacional de Supercomputacion. Support for the research of M. Sola was received through the ICREA Academia 2009 prize for excellence in research funded by the DIUE of the Generalitat de Catalunya. E.M. acknowledges financial support of the EU under the Marie Curie Career Integration grant (PCI09-GA-2011-294240) and the Beatriu de Pinos program from AGAUR for the postdoctoral grant (BP_B_00236). J. P. acknowledges the MICINN for the Ramon y Cajal contract. Helpful comments from Dr. Ferran Feixas are greatly acknowledged
application/pdf
eng
Royal Society of Chemistry
info:eu-repo/grantAgreement/MICINN//CTQ2011-23156/ES/AVANCES EN CATALISIS Y AROMATICIDAD/
info:eu-repo/grantAgreement/MICINN//CTQ2011-25086/ES/MODELIZACION MULTIESCALAR EN (BIO)QUIMICA/
AGAUR/2009-2014/2009 SGR-637
Reproducció digital del document publicat a: http://dx.doi.org/10.1039/c2cp42210g
© Physical Chemistry Chemical Physics, 2012, vo. 14, núm. 43, p. 14850-14859
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/294240/EU/Development of new non-empirical DFT functionals./NEWDFTFUNCT
info:eu-repo/grantAgreement/EC/FP7/247671/EU/Chemical bonding and aromaticity in novel inorganic and organometallic clusters/CANIOC
FP7
-1
FP7
-1
NEWDFTFUNCT
-1
CANIOC
-1
AVANCES EN CATALISIS Y AROMATICIDAD
MODELIZACION MULTIESCALAR EN (BIO)QUIMICA
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Hidrocarburs aromàtics policíclics
Polycyclic aromatic hydrocarbons
Funcional de densitat, Teoria del
Density functionals
Molecular structures of M2N22- (M and N = B, Al, and Ga) clusters using the gradient embedded genetic algorithm
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
MolecularStructures.pdf
MolecularStructures.pdf
application/pdf
2619619
https://dugi-doc.udg.edu/bitstream/10256/8669/1/MolecularStructures.pdf
94f90792bb6abef67ff35a3778a2753c
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8669/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
MolecularStructures.pdf.jpg
MolecularStructures.pdf.jpg
Generated Thumbnail
image/jpeg
3574
https://dugi-doc.udg.edu/bitstream/10256/8669/3/MolecularStructures.pdf.jpg
d07d0ff322e0f682c4ab261a0cc3a39f
MD5
3
10256/8669
oai:dugi-doc.udg.edu:10256/8669
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/87882021-07-01T10:18:18Zcom_10256_4388com_10256_2943col_10256_7143col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Teixidor Ezpeleta, Daniel
Ciurana, Quim de
Rodríguez González, Ciro Ángel
Ministerio de Ciencia e Innovación (Espanya)
2014-01-14T12:17:21Z
2014-01-14T12:17:21Z
2013
1042-6914
http://hdl.handle.net/10256/8788
http://dx.doi.org/10.1080/10426914.2013.832307
1532-2475
A multiobjective optimization of the laser milling process of microcavities for the manufacturing of drug eluting stents (DES) is presented. The diameter, depth, and volume error are considered to be optimized in function of the process parameters (scanning speed, laser intensity, and pulse frequency). Several experiments are carried out following a design of experiments in a nanosecond pulsed Nd:YAG laser machine on 316 L Stainless Steel as a work material. Two different geometries are studied, and they are considered as another variable for the model. The multiobjective optimization problem is solved by NSGA-II algorithm, and the nondominated Pareto-optimal fronts are obtained. The capability of the process to manufacture within a level of error is also investigated. Relative error capability maps for different scale of features are presented
Submitted by Irene Bosch (irene.bosch@udg.edu) on 2014-01-14T12:16:49Z
No. of bitstreams: 1
Multi-objective-optimization.pdf: 579291 bytes, checksum: 8e1645fbd000736da4abb37799b76e03 (MD5)
Approved for entry into archive by Irene Bosch (irene.bosch@udg.edu) on 2014-01-14T12:17:21Z (GMT) No. of bitstreams: 1
Multi-objective-optimization.pdf: 579291 bytes, checksum: 8e1645fbd000736da4abb37799b76e03 (MD5)
Made available in DSpace on 2014-01-14T12:17:21Z (GMT). No. of bitstreams: 1
Multi-objective-optimization.pdf: 579291 bytes, checksum: 8e1645fbd000736da4abb37799b76e03 (MD5)
Previous issue date: 2013
This work was partially carried out with the grant supports from the European Commission project IREBID (FP7-PEOPLE-2009-IRSES-247476) and the Spanish Science and Innovation Minister project TECNIPLAD (DPI2009-09852)
application/pdf
eng
Taylor & Francis
info:eu-repo/grantAgreement/MICINN//DPI2009-09852/ES/Caracterizacion De Tecnologias Innovadoras Para La Planificacion Detallada De Procesos/
Versió preprint del document publicat a: http://dx.doi.org/10.1080/10426914.2013.832307
© Materials and Manufacturing Processes, 2013, vol. 28, núm. 12, p. 1370-1378
Articles publicats (D-EMCI)
info:eu-repo/grantAgreement/EC/FP7/247476/EU/INTERNATIONAL RESEARCH EXCHANGE FOR BIOMEDICAL DEVICES DESIGN AND PROTOTYPING/IREBID
FP7
-1
IREBID
-1
Caracterizacion De Tecnologias Innovadoras Para La Planificacion Detallada De Procesos
Tots els drets reservats
info:eu-repo/semantics/openAccess
Làsers -- Aplicacions industrials
Lasers -- Industrial applications
Tecnologia mèdica
Medical technology
Multiobjective Optimization of Laser Milling Parameters of Microcavities for the Manufacturing of DES
info:eu-repo/semantics/article
info:eu-repo/semantics/submittedVersion
Cap
rc1
ORIGINAL
Multi-objective-optimization.pdf
Multi-objective-optimization.pdf
application/pdf
579291
https://dugi-doc.udg.edu/bitstream/10256/8788/1/Multi-objective-optimization.pdf
8e1645fbd000736da4abb37799b76e03
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8788/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Multi-objective-optimization.pdf.jpg
Multi-objective-optimization.pdf.jpg
Generated Thumbnail
image/jpeg
2817
https://dugi-doc.udg.edu/bitstream/10256/8788/3/Multi-objective-optimization.pdf.jpg
b1d01c2ee289446ca8d30a5346f751c3
MD5
3
10256/8788
oai:dugi-doc.udg.edu:10256/8788
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/87952021-07-01T10:18:18Zcom_10256_1528com_10256_2943col_10256_1553col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Bramon Feixas, Roger
Ruiz Altisent, Marc
Bardera i Reig, Antoni
Boada, Imma
Feixas Feixas, Miquel
Sbert, Mateu
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2014-01-17T09:23:30Z
2014-01-17T09:23:30Z
2013-07
1089-7771
http://hdl.handle.net/10256/8795
http://dx.doi.org/10.1109/JBHI.2013.2263227
018303
1558-0032
In this paper, we present a new framework for multimodal volume visualization that combines several informationtheoretic strategies to define both colors and opacities of the multimodal transfer function. To the best of our knowledge, this is the first fully automatic scheme to visualize multimodal data. To define the fused color, we set an information channel between two registered input data sets and, afterwards, we compute the informativeness associated with the respective intensity bins. This informativeness is used to weight the color contribution from both initial 1D transfer functions. To obtain the opacity, we apply an optimization process that minimizes the informational divergence between the visibility distribution captured by a set of viewpoints and a target distribution proposed by the user. This distribution is defined either from the data set features, from manually set importances, or from both. Other problems related to the multimodal visualization, such as the computation of the fused gradient and the histogram binning, have also been solved using new information-theoretic strategies. The quality and performance of our approach is evaluated on different data sets
Submitted by Irene Bosch (irene.bosch@udg.edu) on 2014-01-17T09:23:10Z
No. of bitstreams: 1
Information-theory-based.pdf: 1906097 bytes, checksum: 2df704c2ceef238200f4637b538f85c4 (MD5)
Approved for entry into archive by Irene Bosch (irene.bosch@udg.edu) on 2014-01-17T09:23:30Z (GMT) No. of bitstreams: 1
Information-theory-based.pdf: 1906097 bytes, checksum: 2df704c2ceef238200f4637b538f85c4 (MD5)
Made available in DSpace on 2014-01-17T09:23:30Z (GMT). No. of bitstreams: 1
Information-theory-based.pdf: 1906097 bytes, checksum: 2df704c2ceef238200f4637b538f85c4 (MD5)
Previous issue date: 2013-07
This work was supported in part by the Spanish Government under Grant TIN2010-21089-C03-01, the Catalan Government under Grant 2009-SGR-643, and by SUR of DEC of Generalitat de Catalunya (Catalan Government)
application/pdf
eng
IEEE
info:eu-repo/grantAgreement/MICINN//TIN2010-21089-C03-01/ES/CONTENIDO DIGITAL PARA JUEGOS SERIOS: CREACION, GESTION, RENDERIZADO E INTERACCION/
AGAUR/2009-2014/2009 SGR-643
Versió postprint del document publicat a: http://dx.doi.org/10.1109/JBHI.2013.2263227
© IEEE Transactions on Information Technology in Biomedicine, vol. 17, núm. 4, p. 870-880
Articles publicats (IIIA)
CONTENIDO DIGITAL PARA JUEGOS SERIOS: CREACION, GESTION, RENDERIZADO E INTERACCION
Tots els drets reservats
info:eu-repo/semantics/openAccess
Imatge, Tècniques d'
Imaging systems
Visualització (Informàtica)
Information display systems
Information Theory-Based Automatic Multimodal Transfer Function Design
info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
Cap
rc1
ORIGINAL
Information-theory-based.pdf
Information-theory-based.pdf
application/pdf
1906097
https://dugi-doc.udg.edu/bitstream/10256/8795/1/Information-theory-based.pdf
2df704c2ceef238200f4637b538f85c4
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/8795/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Information-theory-based.pdf.jpg
Information-theory-based.pdf.jpg
Generated Thumbnail
image/jpeg
3441
https://dugi-doc.udg.edu/bitstream/10256/8795/3/Information-theory-based.pdf.jpg
424103cabc2fa067ed799b04a50c2789
MD5
3
10256/8795
oai:dugi-doc.udg.edu:10256/8795
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/90872021-07-01T10:18:18Zcom_10256_2943com_10256_1515col_10256_10899col_10256_1534RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Galceran Yebenes, Enric
Palomeras Rovira, Narcís
Carreras Pérez, Marc
Ministerio de Ciencia e Innovación (Espanya)
2014-05-07T07:57:47Z
2014-05-07T07:57:47Z
2013-12
2081-4836
http://hdl.handle.net/10256/9087
http://dx.doi.org/10.2478/pjbr-2013-0019
022260
We present a seabed profile estimation and following method for close proximity inspection of 3D underwater structures using autonomous underwater vehicles (AUVs). The presented method is used to determine a path allowing the AUV to pass its sensors over all points of the target structure, which is known as coverage path planning. Our profile following method goes beyond traditional seabed following at a safe altitude and exploits hovering capabilities of recent AUV developments. A range sonar is used to incrementally construct a local probabilistic map representation of the environment and estimates of the local profile are obtained via linear regression. Two behavior-based controllers use these estimates to perform horizontal and vertical profile following. We build upon these tools to address coverage path planning for 3D underwater structures using a (potentially inaccurate) prior map and following cross-section profiles of the target structure. The feasibility of the proposed method is demonstrated using the GIRONA 500 AUV both in simulation using synthetic and real-world bathymetric data and in pool trials
Submitted by Irene Bosch (irene.bosch@udg.edu) on 2014-05-07T07:56:59Z
No. of bitstreams: 2
license_rdf: 1232 bytes, checksum: b51f25f83cca752633b6ec4c418dbcc7 (MD5)
Profile-following-inspection.pdf: 7898889 bytes, checksum: ff38226662ac4fb6c242435a94325848 (MD5)
Approved for entry into archive by Irene Bosch (irene.bosch@udg.edu) on 2014-05-07T07:57:47Z (GMT) No. of bitstreams: 2
license_rdf: 1232 bytes, checksum: b51f25f83cca752633b6ec4c418dbcc7 (MD5)
Profile-following-inspection.pdf: 7898889 bytes, checksum: ff38226662ac4fb6c242435a94325848 (MD5)
Made available in DSpace on 2014-05-07T07:57:47Z (GMT). No. of bitstreams: 2
license_rdf: 1232 bytes, checksum: b51f25f83cca752633b6ec4c418dbcc7 (MD5)
Profile-following-inspection.pdf: 7898889 bytes, checksum: ff38226662ac4fb6c242435a94325848 (MD5)
Previous issue date: 2013-12
This research was sponsored by the Spanish government (COMAROB
Project, DPI2011-27977-C03-02) and the MORPH EU FP7-Project under the Grant agreement FP7-ICT-2011-7-288704. We are grateful for
this support
application/pdf
eng
De Gruyter
info:eu-repo/grantAgreement/MICINN//DPI2011-27977-C03-02/ES/COMAROB: ROBOTICA COOPERATIVA MARINA PARA EL MAPEO ACUSTICO Y LA INTERVENCION/
Reproducció digital del document publicat a: http://dx.doi.org/10.2478/pjbr-2013-0019
Paladyn, Journal of Behavioral Robotics, 2013, vol. 4, núm. 4, p. 211-222
Articles publicats (D-ATC)
COMAROB: ROBOTICA COOPERATIVA MARINA PARA EL MAPEO ACUSTICO Y LA INTERVENCION
Attribution-NonCommercial-NoDerivs 3.0 Spain
http://creativecommons.org/licenses/by-nc-nd/3.0/es/
info:eu-repo/semantics/openAccess
Vehicles submergibles
Submersibles
Robots autònoms
Autonomous robots
Profile Following for Inspection of Underwater Structures
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
Profile-following-inspection.pdf
Profile-following-inspection.pdf
application/pdf
7898889
https://dugi-doc.udg.edu/bitstream/10256/9087/1/Profile-following-inspection.pdf
ff38226662ac4fb6c242435a94325848
MD5
1
CC-LICENSE
license_rdf
license_rdf
application/rdf+xml; charset=utf-8
1232
https://dugi-doc.udg.edu/bitstream/10256/9087/2/license_rdf
b51f25f83cca752633b6ec4c418dbcc7
MD5
2
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/9087/3/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
3
THUMBNAIL
Profile-following-inspection.pdf.jpg
Profile-following-inspection.pdf.jpg
Generated Thumbnail
image/jpeg
2767
https://dugi-doc.udg.edu/bitstream/10256/9087/4/Profile-following-inspection.pdf.jpg
6b64a19e3c1779c213e766b768399e7b
MD5
4
10256/9087
oai:dugi-doc.udg.edu:10256/9087
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/92382021-07-01T10:18:18Zcom_10256_1766com_10256_2943col_10256_1768col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Padullés Cubino, Josep
Vila Subirós, Josep
Barriocanal Lozano, Carles
Ministerio de Ciencia e Innovación (Espanya)
2014-07-21T10:47:45Z
2014-07-21T10:47:45Z
2014
0213-4691
http://hdl.handle.net/10256/9238
http://dx.doi.org/10.14198/INGEO2014.61.05
021188
Gardens represent important sources of goods and services for their owners. This functionality translates directly into the types of plants cultivated in a given garden, and terminology has been developed to distinguish each category of garden according to its purpose. The factors explaining the differentiation and distribution of gardens have not previously been explored at the global scale. In this study, the plant lists for 44 sets of gardens from around the world were analyzed to explore their taxonomic similarities and the factors shaping each garden. Several biophysical and socioeconomic variables were examined at the appropriate scale for their roles in garden species distribution. Physical and climatic factors (temperature, rainfall, potential evapotranspiration and distance between settlements) were found to be significantly related with species makeup; all of these factors were less important than GDP per person, a proxy for household income, which was determined to be the primary driver of garden composition. All of the studied socioeconomic factors, such as language similarity among settlements and population density, were significant drivers of species distribution. However, the present analysis omits a number of variables due to data unavailability, such as garden size and owner gender, which have been previously recognized as influences on garden plant composition. The genera cultivated in different gardens were found to be very different from each other, and the definitions of each type are hard to establish from these data alone. Finally, the implications of likely future income variations, such those caused by severe economic crisis, and global climate change on bio-cultural diversity and food security are discussed Los jardines son una importante fuente de bienes y servicios para los residentes de un hogar. Su función se traduce directamente en el tipo de plantas que en ellos se cultiva. Por otro lado, la terminología usada para denominar los distintos tipos de jardín en inglés (garden, homegarden, forest garden, etc.) varía según su función y propósito. Los factores que explican la diferenciación y distribución de los jardines a escala global no habían sido previamente explorados hasta ahora. En este estudio se han analizado los inventarios florísticos de 44 conjuntos de jardines de to do el mundo para explorar sus similitudes taxonómicas y los factores que configuran la distribución de su flora. Para ello, se escogieron distintas variables biofísicas y socioeconómicas a una escala apropiada de trabajo. Como resultado, los factores biofísicos y climáticos (temperatura, precipitación, evapotranspiración potencial y distancia entre asentamientos) se hallaron significativamente relacionados con la distribución de las especies; no obstante, todos estos factores resultaron ser menos importantes que el GDP (PIB) per cápita, utilizado aquí como indicador de los ingresos del hogar, y que se obtuvo como el principal impulsor de la composición de los jardines. También el resto de factores sociales y culturales incluidos en el análisis, como son la similitud entre las lenguas de los distintos asentamientos o la densidad de población, se encontraron como variables significativas. Cabe señalar que el presente análisis omite cierto número de variables debido a la no disponibilidad de datos. Algunas de estas variables son el tamaño del jardín o el género de su dueño, las cuales han sido reconocidas previamente como agentes influyentes en la composición vegetal de los jardines. El estudio concluye que los géneros vegetales cultivados en los conjuntos de jardines son muy diferentes entre sí y que, por lo tanto, las distinciones entre tipologías de jardín son difíciles de establecer a partir de tan solo datos florísticos. Por último, se discuten también las implicaciones que podrían tener posibles futuras fluctuaciones en el nivel de la renta (causadas por una severa crisis económica) o el cambio climático, sobre la diversidad bio-cultural y la seguridad alimentaria
Los jardines son una importante fuente de bienes y servicios para los residentes de un hogar. Su función se traduce directamente en el tipo de plantas que en ellos se cultiva. Por otro lado, la terminología usada para denominar los distintos tipos de jardín en inglés (garden, homegarden, forest garden, etc.) varía según su función y propósito. Los factores que explican la diferenciación y distribución de los jardines a escala global no habían sido previamente explorados hasta ahora. En este estudio se han analizado los inventarios florísticos de 44 conjuntos de jardines de to do el mundo para explorar sus similitudes taxonómicas y los factores que configuran la distribución de su flora. Para ello, se escogieron distintas variables biofísicas y socioeconómicas a una escala apropiada de trabajo. Como resultado, los factores biofísicos y climáticos (temperatura, precipitación, evapotranspiración potencial y distancia entre asentamientos) se hallaron significativamente relacionados con la distribución de las especies; no obstante, todos estos factores resultaron ser menos importantes que el GDP (PIB) per cápita, utilizado aquí como indicador de los ingresos del hogar, y que se obtuvo como el principal impulsor de la composición de los jardines. También el resto de factores sociales y culturales incluidos en el análisis, como son la similitud entre las lenguas de los distintos asentamientos o la densidad de población, se encontraron como variables significativas. Cabe señalar que el presente análisis omite cierto número de variables debido a la no disponibilidad de datos. Algunas de estas variables son el tamaño del jardín o el género de su dueño, las cuales han sido reconocidas previamente como agentes influyentes en la composición vegetal de los jardines. El estudio concluye que los géneros vegetales cultivados en los conjuntos de jardines son muy diferentes entre sí y que, por lo tanto, las distinciones entre tipologías de jardín son difíciles de establecer a partir de tan solo datos florísticos. Por último, se discuten también las implicaciones que podrían tener posibles futuras fluctuaciones en el nivel de la renta (causadas por una severa crisis económica) o el cambio climático, sobre la diversidad bio-cultural y la seguridad alimentaria
Submitted by Usuari Grec Biblioteca (grec-biblio@udg.edu) on 2014-07-21T10:47:44Z
No. of bitstreams: 1
021188.pdf: 654739 bytes, checksum: e0ddb1e900c49ff9e8aa34acbdcaeae8 (MD5)
Made available in DSpace on 2014-07-21T10:47:45Z (GMT). No. of bitstreams: 1
021188.pdf: 654739 bytes, checksum: e0ddb1e900c49ff9e8aa34acbdcaeae8 (MD5)
Previous issue date: 2014-06-29
Project name: “New patterns in water demand and management in low-density urban and touristic areas. the case of the Costa Brava (Girona)”. Ref: cso2010-17488. Funded by: Ministry of Science and Innovation. Principal investigator: Anna Ribas Palom.
Josep Padullés Cubino has a FPI grant to undertake PhD. Ref: BES-2011-046475
16 p.
application/pdf
eng
Universidad de Alicante
info:eu-repo/grantAgreement/MICINN//CSO2010-17488/ES/NUEVAS PAUTAS DE CONSUMO Y GESTION DEL AGUA EN ESPACIOS URBANOTURISTICOS DE BAJA DENSIDAD. EL CASO DE LA COSTA BRAVA (GIRONA)/
Reproducció digital del document publicat a: http://dx.doi.org/10.14198/INGEO2014.61.05
© Investigaciones Geográficas, 2014, vol. 61, num. 1, p. 71-86
Articles publicats (D-G)
NUEVAS PAUTAS DE CONSUMO Y GESTION DEL AGUA EN ESPACIOS URBANOTURISTICOS DE BAJA DENSIDAD. EL CASO DE LA COSTA BRAVA (GIRONA)
Tots els drets reservats
info:eu-repo/semantics/openAccess
Padullés Cubino, Josep Vila Subirós, Josep Barriocanal Lozano, Carles 2014 Examining floristic boundaries between garden types at the global scale Investigaciones Geográficas 61 1 71 86
Jardins
Etnobotànica
Biodiversitat
Gardens
Ethnobotany
Biological diversity
Examining floristic boundaries between garden types at the global scale
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
rc1
ORIGINAL
021188.pdf
application/pdf
654739
https://dugi-doc.udg.edu/bitstream/10256/9238/1/021188.pdf
e0ddb1e900c49ff9e8aa34acbdcaeae8
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/9238/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
SWORD
mets.xml
SWORD deposit package
application/zip
536283
https://dugi-doc.udg.edu/bitstream/10256/9238/3/mets.xml
2476ac6562602711666979bde0425c27
MD5
3
THUMBNAIL
021188.pdf.jpg
021188.pdf.jpg
Generated Thumbnail
image/jpeg
2657
https://dugi-doc.udg.edu/bitstream/10256/9238/4/021188.pdf.jpg
6a326b37bd85689a6af1ebf5487398a0
MD5
4
10256/9238
oai:dugi-doc.udg.edu:10256/9238
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/93052021-07-01T10:18:18Zcom_10256_1531com_10256_2943col_10256_1551col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Ramos Cordoba, Eloy
Salvador Sedano, Pedro
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
Ministerio de Educación y Ciencia (Espanya)
2014-09-08T11:24:48Z
2014-09-08T11:24:48Z
2013-06
0021-9606
http://hdl.handle.net/10256/9305
http://dx.doi.org/10.1063/1.4807775
018367
1089-7690
The effective atomic orbitals have been realized in the framework of Bader's atoms in molecules theory for a general wavefunction. This formalism can be used to retrieve from any type of calculation a proper set of orthonormalized numerical atomic orbitals, with occupation numbers that sum up to the respective Quantum Theory of Atoms in Molecules (QTAIM) atomic populations. Experience shows that only a limited number of effective atomic orbitals exhibit significant occupation numbers. These correspond to atomic hybrids that closely resemble the core and valence shells of the atom. The occupation numbers of the remaining effective orbitals are almost negligible, except for atoms with hypervalent character. In addition, the molecular orbitals of a calculation can be exactly expressed as a linear combination of this orthonormalized set of numerical atomic orbitals, and the Mulliken population analysis carried out on this basis set exactly reproduces the original QTAIM atomic populations of the atoms. Approximate expansion of the molecular orbitals over a much reduced set of orthogonal atomic basis functions can also be accomplished to a very good accuracy with a singular value decomposition procedure
Submitted by Irene Bosch (irene.bosch@udg.edu) on 2014-09-08T11:24:48Z
No. of bitstreams: 1
Atomic-orbitals-topological.pdf: 741145 bytes, checksum: d825260894269dd8ac895e78c58b9f7e (MD5)
Made available in DSpace on 2014-09-08T11:24:48Z (GMT). No. of bitstreams: 1
Atomic-orbitals-topological.pdf: 741145 bytes, checksum: d825260894269dd8ac895e78c58b9f7e (MD5)
Previous issue date: 2013-06-07
Financial help has been furnished by the Spanish MICINN Project No. CTQ2011-23441/BQU and Accion Complementaria del MCI (PCI2006-A7-0631). Financial support from MICINN and the FEDER fund (European Fund for Regional Development) was also provided by grant UNGI08-4E-003. Financial support from the Generalitat de Catalunya (SGR528 and Xarxa de Referncia en Qumica Terica i Computacional) is also acknowledged. E.R-C. acknowledges support from the Spanish FPU program (Grant No. AP2008-01231)
application/pdf
eng
American Institute of Physics
info:eu-repo/grantAgreement/MICINN//CTQ2011-23441/ES/NUEVOS ENFOQUES PARA EL ESTUDIO COMPUTACIONAL DE BIOMOLECULAS, INTERACCIONES DE ESPIN EN AGREGADOS METALICOS Y SISTEMAS MOLECULARES DE ALMACENAMIENTO DE HIDROGENO/
AGAUR/2009-2014/2009 SGR-528
info:eu-repo/grantAgreement/MEC//UNGI08-4E-003/ES/Clúster de PCs para cálculo intensivo en química cuántica/
Reproducció digital del document publicat a: http://dx.doi.org/10.1063/1.4807775
© Journal of Chemical Physics, 2013, vol. 138, núm. 21, p. 1-9
Articles publicats (D-Q)
Clúster de PCs para cálculo intensivo en química cuántica
NUEVOS ENFOQUES PARA EL ESTUDIO COMPUTACIONAL DE BIOMOLECULAS, INTERACCIONES DE ESPIN EN AGREGADOS METALICOS Y SISTEMAS MOLECULARES DE ALMACENAMIENTO DE HIDROGENO
Tots els drets reservats
info:eu-repo/semantics/openAccess
Enllaços químics
Chemical bonds
Carboni
Carbon
Funcions d'ona
Wave functions
The Atomic orbitals of the topological atom
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
Atomic-orbitals-topological.pdf
Atomic-orbitals-topological.pdf
application/pdf
741145
https://dugi-doc.udg.edu/bitstream/10256/9305/1/Atomic-orbitals-topological.pdf
d825260894269dd8ac895e78c58b9f7e
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/9305/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Atomic-orbitals-topological.pdf.jpg
Atomic-orbitals-topological.pdf.jpg
Generated Thumbnail
image/jpeg
2881
https://dugi-doc.udg.edu/bitstream/10256/9305/3/Atomic-orbitals-topological.pdf.jpg
292187c2c5241aed8c7d36d19b0d2b63
MD5
3
10256/9305
oai:dugi-doc.udg.edu:10256/9305
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/93062021-07-01T10:18:18Zcom_10256_1531com_10256_2943col_10256_1551col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Salvador Sedano, Pedro
Ramos Cordoba, Eloy
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2014-09-08T11:38:58Z
2014-09-08T11:38:58Z
2013-08
0021-9606
http://hdl.handle.net/10256/9306
http://dx.doi.org/10.1063/1.4818751
018368
1089-7690
A new, more flexible definition of fuzzy Voronoi cells is proposed as a computationally efficient alternative to Bader's Quantum Theory of Atoms in Molecules (QTAIM) partitioning of the physical space for large-scale routine calculations. The new fuzzy scheme provides atomic charges, delocalization indices, and molecular energy components very close to those obtained using QTAIM. The method is flexible enough to either ignore the presence of spurious non-nuclear attractors or to readily incorporate them by introducing additional fuzzy Voronoi cells
Submitted by Irene Bosch (irene.bosch@udg.edu) on 2014-09-08T11:38:58Z
No. of bitstreams: 1
Approximation-Bader-topological.pdf: 425136 bytes, checksum: c486bda6d02d3ef257f7118b402810a5 (MD5)
Made available in DSpace on 2014-09-08T11:38:58Z (GMT). No. of bitstreams: 1
Approximation-Bader-topological.pdf: 425136 bytes, checksum: c486bda6d02d3ef257f7118b402810a5 (MD5)
Previous issue date: 2013-08-21
Financial help has been furnished by the Spanish MICINN Project No. CTQ2011-23441/BQU, the FEDER UNGI08-4E-003, and the Generalitat de Catalunya SGR528 grants. Support from the Xarxa de Referencia en Quimica Teorica i Computacional is also acknowledged. E. R.-C. acknowledges support from the Spanish FPU program (Grant No. AP2008-01231)
application/pdf
eng
American Institute of Physics
info:eu-repo/grantAgreement/MICINN//CTQ2011-23441/ES/NUEVOS ENFOQUES PARA EL ESTUDIO COMPUTACIONAL DE BIOMOLECULAS, INTERACCIONES DE ESPIN EN AGREGADOS METALICOS Y SISTEMAS MOLECULARES DE ALMACENAMIENTO DE HIDROGENO/
AGAUR/2009-2014/2009 SGR-528
Reproducció digital del document publicat a: http://dx.doi.org/10.1063/1.4818751
© Journal of Chemical Physics, 2013, vol. 139, núm. 7, p. 1-4
Articles publicats (D-Q)
NUEVOS ENFOQUES PARA EL ESTUDIO COMPUTACIONAL DE BIOMOLECULAS, INTERACCIONES DE ESPIN EN AGREGADOS METALICOS Y SISTEMAS MOLECULARES DE ALMACENAMIENTO DE HIDROGENO
Tots els drets reservats
info:eu-repo/semantics/openAccess
Enllaços químics
Chemical bonds
Dinàmica
Dinamics
Materials -- Anàlisi
Materials -- Analysis
Ful·lerens
Fullerenes
Communication: An approximation to Bader's topological atom
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
Approximation-Bader-topological.pdf
Approximation-Bader-topological.pdf
application/pdf
425136
https://dugi-doc.udg.edu/bitstream/10256/9306/1/Approximation-Bader-topological.pdf
c486bda6d02d3ef257f7118b402810a5
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/9306/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Approximation-Bader-topological.pdf.jpg
Approximation-Bader-topological.pdf.jpg
Generated Thumbnail
image/jpeg
2890
https://dugi-doc.udg.edu/bitstream/10256/9306/3/Approximation-Bader-topological.pdf.jpg
ca4e056643878cd1121f0d1af0ea6c19
MD5
3
10256/9306
oai:dugi-doc.udg.edu:10256/9306
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/93212021-07-01T10:18:18Zcom_10256_4388com_10256_2943col_10256_7143col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Teixidor Ezpeleta, Daniel
Ciurana, Quim de
Rodríguez González, Ciro Ángel
Ministerio de Ciencia e Innovación (Espanya)
2014-09-09T08:07:11Z
2015-01-01T04:00:07Z
2014
2015-01-01
0268-3768
http://hdl.handle.net/10256/9321
http://dx.doi.org/10.1007/s00170-013-5599-0
021926
1433-3015
The coronary stent fabrication requires a high-precision profile cut. Fibre lasers present a solution to accomplish these requirements. This paper presents an experimental study of fibre laser cutting of 316L stainless steel thin sheets. The effect of peak pulse power, pulse frequency and cutting speed on the cutting quality for fixed gas type and gas pressure was investigated. A mathematical model based on energy balances for the dross dimensions was formulated. The dross height and the dross diameter were analysed and compared with the experimental results. This allows adjustment of the process parameters to reduce the dimensions of the dross deposited at the bottom of the workpiece during laser cutting of thin sheets
Submitted by Irene Bosch (irene.bosch@udg.edu) on 2014-09-09T08:07:11Z
No. of bitstreams: 1
Dross-formation.pdf: 1661747 bytes, checksum: 13b09e38e66b94fcad94a10677e7f8aa (MD5)
Made available in DSpace on 2014-09-09T08:07:11Z (GMT). No. of bitstreams: 1
Dross-formation.pdf: 1661747 bytes, checksum: 13b09e38e66b94fcad94a10677e7f8aa (MD5)
Previous issue date: 2014-01
The authors would like to express their gratitude to the GREP research group from the UdG and to the Tecnologico de Monterrey for the facilities provided during the experiments. This work was partially carried out with the grant supports from the European Commission project IREBID (FP7-PEOPLE-2009-IRSES-247476) and the Spanish Science and Innovation Minister project TECNIPLAD (DPI2009-09852)
application/pdf
eng
Springer Verlag
info:eu-repo/grantAgreement/MICINN//DPI2009-09852/ES/Caracterizacion De Tecnologias Innovadoras Para La Planificacion Detallada De Procesos/
Versió postprint del document publicat a: http://dx.doi.org/10.1007/s00170-013-5599-0
© International Journal of Advanced Manufacturing Technology, 2014, vol. 71, p. 1611-1621
Articles publicats (D-EMCI)
info:eu-repo/grantAgreement/EC/FP7/247476/EU/INTERNATIONAL RESEARCH EXCHANGE FOR BIOMEDICAL DEVICES DESIGN AND PROTOTYPING/IREBID
FP7
-1
IREBID
-1
Caracterizacion De Tecnologias Innovadoras Para La Planificacion Detallada De Procesos
Tots els drets reservats
info:eu-repo/semantics/openAccess
Làsers -- Aplicacions industrials
Lasers -- Industrial applications
Tecnologia mèdica
Medical technology
Dross formation and process parameters analysis of fibre laser cutting of stainless steel thin sheets
info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
12 mesos
rc1
ORIGINAL
Dross-formation.pdf
Dross-formation.pdf
application/pdf
1661747
https://dugi-doc.udg.edu/bitstream/10256/9321/1/Dross-formation.pdf
13b09e38e66b94fcad94a10677e7f8aa
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/9321/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Dross-formation.pdf.jpg
Dross-formation.pdf.jpg
Generated Thumbnail
image/jpeg
1934
https://dugi-doc.udg.edu/bitstream/10256/9321/3/Dross-formation.pdf.jpg
b768c85e33755d7c46798e8070faaf48
MD5
3
10256/9321
oai:dugi-doc.udg.edu:10256/9321
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/93232021-07-01T10:18:18Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Ramos Cordoba, Eloy
Salvador Sedano, Pedro
Ministerio de Ciencia e Innovación (Espanya)
2014-09-09T11:08:55Z
2014-09-09T11:08:55Z
2014
1463-9076
http://hdl.handle.net/10256/9323
http://dx.doi.org/10.1039/C4CP00939H
020435
1463-9084
Diradical species are analyzed in light of the local spin analysis. The atomic and diatomic contributions to the overall 〈Ŝ2〉 value are used to detect the diradical character of a number of molecular species mostly in their singlet state, for which no spin density exists. A general procedure for the quantification of diradical character for both singlet and triplet states is achieved by using a recently introduced index that measures the deviation of an actual molecule from an ideal system of perfectly localized spin centers. The index is of general applicability and can be easily determined in equal footing from a multireference or an open-shell single-determinant wave function
Submitted by Irene Bosch (irene.bosch@udg.edu) on 2014-09-09T11:08:55Z
No. of bitstreams: 1
Diradical-character.pdf: 784821 bytes, checksum: 9632aa988078f1be935934dc893d0892 (MD5)
Made available in DSpace on 2014-09-09T11:08:55Z (GMT). No. of bitstreams: 1
Diradical-character.pdf: 784821 bytes, checksum: 9632aa988078f1be935934dc893d0892 (MD5)
Previous issue date: 2014-05
Financial help has been furnished by the Spanish MICINN Projects No. CTQ2011-23441/BQU. Financial support from MICINN and the FEDER fund (European Fund for Regional Development) was also provided by grant UNGI08-4E-003. Financial support from the Generalitat de Catalunya (SGR528 and Xarxa de Referencia en Quimica Teorica i Computacional) is also acknowledged. E.R-C. acknowledges support from the Spanish FPU program (Grant No. AP2008-01231) and from the EU under a Marie Curie Career Integration grant (PCI09-GA-2011-294240)
application/pdf
eng
Royal Society of Chemistry
info:eu-repo/grantAgreement/MICINN//CTQ2011-23441/ES/NUEVOS ENFOQUES PARA EL ESTUDIO COMPUTACIONAL DE BIOMOLECULAS, INTERACCIONES DE ESPIN EN AGREGADOS METALICOS Y SISTEMAS MOLECULARES DE ALMACENAMIENTO DE HIDROGENO/
Versió preprint del document publicat a: http://dx.doi.org/10.1039/C4CP00939H
© Physical Chemistry Chemical Physics, 2014, vol. 16, p. 9565-9571
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/294240/EU/Development of new non-empirical DFT functionals./NEWDFTFUNCT
FP7
NEWDFTFUNCT
NUEVOS ENFOQUES PARA EL ESTUDIO COMPUTACIONAL DE BIOMOLECULAS, INTERACCIONES DE ESPIN EN AGREGADOS METALICOS Y SISTEMAS MOLECULARES DE ALMACENAMIENTO DE HIDROGENO
Tots els drets reservats
info:eu-repo/semantics/openAccess
Fisicoquímica
Chemistry, Physical and theorical
Diradical character from the local spin analysis
info:eu-repo/semantics/article
info:eu-repo/semantics/submittedVersion
Cap
rc1
ORIGINAL
Diradical-character.pdf
Diradical-character.pdf
application/pdf
784821
https://dugi-doc.udg.edu/bitstream/10256/9323/1/Diradical-character.pdf
9632aa988078f1be935934dc893d0892
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/9323/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Diradical-character.pdf.jpg
Diradical-character.pdf.jpg
Generated Thumbnail
image/jpeg
1793
https://dugi-doc.udg.edu/bitstream/10256/9323/3/Diradical-character.pdf.jpg
8dcdf78156daec0052bf3b9f8791c157
MD5
3
10256/9323
oai:dugi-doc.udg.edu:10256/9323
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/95482021-07-01T10:18:18Zcom_10256_1004com_10256_2943col_10256_1544col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Costa Surós, Montse
Calbó Angrill, Josep
González Gutiérrez, Josep Abel
Long, Charles N.
Ministerio de Educación y Ciencia (Espanya)
Ministerio de Ciencia e Innovación (Espanya)
2014-10-09T10:53:15Z
2014-10-09T10:53:15Z
2013
1680-7367
http://hdl.handle.net/10256/9548
http://dx.doi.org/10.5194/acpd-13-14405-2013
021506
1680-7375
The cloud vertical distribution and especially the cloud base height, which is linked to cloud type, is an important characteristic in order to describe the impact of clouds in a changing climate. In this work several methods to estimate the cloud vertical structure (CVS) based on atmospheric sounding profiles are compared, considering number and position of cloud layers, with a ground based system which is taken as a reference: the Active Remote Sensing of Clouds (ARSCL). All methods establish some conditions on the relative humidity, and differ on the use of other variables, the thresholds applied, or the vertical resolution of the profile. In this study these methods are applied to 125 radiosonde profiles acquired at the ARM Southern Great Plains site during all seasons of year 2009 and endorsed by GOES images, to confirm that the cloudiness conditions are homogeneous enough across their trajectory. The overall agreement for the methods ranges between 44–88%; four methods produce total agreements around 85%. Further tests and improvements are applied on one of these methods. In addition, we attempt to make this method suitable for low resolution vertical profiles, which could be useful in atmospheric modeling. The total agreement, even when using low resolution profiles, can be improved up to 91% if the thresholds for a moist layer to become a cloud layer are modified to minimize false negatives with the current data set, thus improving overall agreement
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2014-10-09T10:53:15Z
No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
ComparingCloud.pdf: 1538134 bytes, checksum: 1d3e0e2abd2c99e89d37df317c435cba (MD5)
Made available in DSpace on 2014-10-09T10:53:15Z (GMT). No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
ComparingCloud.pdf: 1538134 bytes, checksum: 1d3e0e2abd2c99e89d37df317c435cba (MD5)
Previous issue date: 2013
This research was funded by the Ministerio de Ciencia e Innovacion of the Spanish Government through grants CGL2007-62664 (NUCLIEREX) and CGL2010-18546 (NUCLIERSOL). M. Costa-Suros was supported by research fellowship FPI BES-2008-003129 from the Ministerio de Ciencia e Innovacion of the Spanish Government. C. N. Long acknowledges support from the Office of Science of the US Department of Energy as part of the Atmospheric Systems Research (ASR) program. Data and TSI animations were obtained from the Atmospheric Radiation Measurement (ARM) program sponsored by the US Department of Energy. We thank L. Dimitrieva-Arrago for her explanations and interesting discussions while visiting the University of Girona in the framework of the UE CLIMSEAS project (FP7-PEOPLE-2009-IRSES proposal no. 247512). We also thank the National Oceanic and Atmospheric Administration (NOAA) Comprehensive Large Array-data stewardship system (CLASS) for providing GOES images for research use
application/pdf
eng
European Geosciences Union (EGU)
info:eu-repo/grantAgreement/MEC//CGL2007-62664/ES/NUBES Y CAMBIO CLIMATICO: VARIABILIDAD Y TENDENCIAS DE LA NUBOSIDAD E INSOLACION EN LA PENINSULA IBERICA, Y MEDIDA Y MODELIZACION DE LOS EFECTOS RADIATIVOS DE LAS NUBES EN SUPERFICIE/
info:eu-repo/grantAgreement/MICINN//CGL2010-18546/ES/LAS NUBES Y SUS EFECTOS SOBRE LA RADIACION: DEL ESTUDIO DE SITUACIONES A ESCALA LOCAL AL ANALISIS CLIMATOLOGICO DE ALCANCE GLOBAL. INTERACCIONES CON EL AEROSOL ATMOSFERICO/
Reproducció digital del document publicat a: http://dx.doi.org/10.5194/acpd-13-14405-2013
Atmospheric Chemistry and Physics Discussions, 2013, vol. 13, núm. 6, p. 14405-14445
Articles publicats (D-F)
info:eu-repo/grantAgreement/EC/FP7/247512/EU/Climate Change and Inland Seas: Phenomena, Feedback and Uncertainties. The Physical Science Basis./CLIMSEAS
FP7
-1
CLIMSEAS
-1
LAS NUBES Y SUS EFECTOS SOBRE LA RADIACION: DEL ESTUDIO DE SITUACIONES A ESCALA LOCAL AL ANALISIS CLIMATOLOGICO DE ALCANCE GLOBAL. INTERACCIONES CON EL AEROSOL ATMOSFERICO
NUBES Y CAMBIO CLIMATICO: VARIABILIDAD Y TENDENCIAS DE LA NUBOSIDAD E INSOLACION EN LA PENINSULA IBERICA, Y MEDIDA Y MODELIZACION DE LOS EFECTOS RADIATIVOS DE LAS NUBES EN SUPERFICIE
Attribution 3.0 Spain
http://creativecommons.org/licenses/by/3.0/es/
info:eu-repo/semantics/openAccess
Núvols
Clouds
Comparing the cloud vertical structure derived from several methods based on measured atmospheric profiles and active surface measurements [Discussion Paper]
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
ComparingCloud.pdf
ComparingCloud.pdf
application/pdf
1538134
https://dugi-doc.udg.edu/bitstream/10256/9548/1/ComparingCloud.pdf
1d3e0e2abd2c99e89d37df317c435cba
MD5
1
CC-LICENSE
license_rdf
license_rdf
application/rdf+xml; charset=utf-8
1370
https://dugi-doc.udg.edu/bitstream/10256/9548/2/license_rdf
ac86fe33011bda956ed9b032abf4d402
MD5
2
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/9548/3/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
3
THUMBNAIL
ComparingCloud.pdf.jpg
ComparingCloud.pdf.jpg
Generated Thumbnail
image/jpeg
3515
https://dugi-doc.udg.edu/bitstream/10256/9548/4/ComparingCloud.pdf.jpg
115dd5d85337388b85d0e40ceaebd8fa
MD5
4
10256/9548
oai:dugi-doc.udg.edu:10256/9548
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/95972024-02-07T11:49:14Zcom_10256_2943com_10256_1523col_10256_10899col_10256_1546RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Pla Planas, Albert
Gay Sacristán, Pablo
Meléndez i Frigola, Joaquim
López Ibáñez, Beatriz
Ministerio de Ciencia e Innovación (Espanya)
Ministerio de Educación y Ciencia (Espanya)
2014-10-27T08:10:06Z
2015-10-28T04:00:05Z
2014-06-25
2015-06-25
0956-5515
http://hdl.handle.net/10256/9597
http://dx.doi.org/10.1007/s10845-012-0704-z
1572-8145
Nowadays business process management is becoming a fundamental piece of many industrial processes. To manage the evolution and interactions between the business actions it is important to accurately model the steps to follow and the resources needed by a process. Workflows provide a way of describing the order of execution and the dependencies between the constituting activities of business processes. Workflow monitoring can help to improve and avoid delays in industrial environments where concurrent processes are carried out. In this article a new Petri net extension for modelling workflow activities together with their required resources is presented: resource-aware Petri nets (RAPN). An intelligent workflow management system for process monitoring and delay prediction is also introduced. Resource aware-Petri nets include time and resources within the classical Petri net workflow representation, facilitating the task of modelling and monitoring workflows. The workflow management system monitors the execution of workflows and detects possible delays using RAPN. In order to test this new approach, different services from a medical maintenance environment have been modelled and simulate
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2014-10-27T08:10:05Z
No. of bitstreams: 1
PetriNetBasedProcess.pdf: 696868 bytes, checksum: 74262f0888fa3b116bd825903e585863 (MD5)
Made available in DSpace on 2014-10-27T08:10:06Z (GMT). No. of bitstreams: 1
PetriNetBasedProcess.pdf: 696868 bytes, checksum: 74262f0888fa3b116bd825903e585863 (MD5)
Previous issue date: 2014-06-25
This research project has been partially funded through the projects labeled TIN2008-04547 and DPI2011-24929, the BR10/18 grant of the University of Girona conceded to Albert Pla and the FPU-AP2009-2831 grant conceded to Pablo Gay. The authors also thank the representatives of the contributing enterprises of the EU-Project "AIMES" (ITEA2-07017), for the constructive subject-specific collaboration. AIMES project was supported by the Spanish Avanza I+D program (support code TSI-020400- 2008-47) within the EU-programme ITEA2
application/pdf
eng
Springer
info:eu-repo/grantAgreement/MICINN//DPI2011-24929/ES/I-WMS: METODOS DE SOPORTE A LA DECISION PARA SISTEMAS DE GESTION DE WORKFLOWS FLEXIBLES/
info:eu-repo/grantAgreement/MICINN//TIN2008-04547/ES/SUBASTAS ROBUSTAS MEDIANTE LA INCORPORACION DE TECNICAS DE SATISFACTIBILIDAD MODULO TEORIAS/
Versió postprint del document publicat a: http://dx.doi.org/10.1007/s10845-012-0704-z
© Journal of Intelligent Manufacturing, 2014, vol. 25, núm. 3, p. 539-554
Articles publicats (ICRA)
I-WMS: METODOS DE SOPORTE A LA DECISION PARA SISTEMAS DE GESTION DE WORKFLOWS FLEXIBLES
SUBASTAS ROBUSTAS MEDIANTE LA INCORPORACION DE TECNICAS DE SATISFACTIBILIDAD MODULO TEORIAS
Tots els drets reservats
info:eu-repo/semantics/openAccess
Petri, Xarxes de
Petri nets
Cicle de treball
Workflow
Petri net-based process monitoring: a workflow management system for process modelling and monitoring
info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
12 mesos
rc1
ORIGINAL
PetriNetBasedProcess.pdf
PetriNetBasedProcess.pdf
application/pdf
696868
https://dugi-doc.udg.edu/bitstream/10256/9597/1/PetriNetBasedProcess.pdf
74262f0888fa3b116bd825903e585863
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/9597/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
PetriNetBasedProcess.pdf.jpg
PetriNetBasedProcess.pdf.jpg
Generated Thumbnail
image/jpeg
1821
https://dugi-doc.udg.edu/bitstream/10256/9597/3/PetriNetBasedProcess.pdf.jpg
a6464a9f0f750f4435be3e5cd72511a7
MD5
3
10256/9597
oai:dugi-doc.udg.edu:10256/9597
2024-02-07 12:49:14.95
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/95992021-07-01T10:18:18Zcom_10256_2943com_10256_1523col_10256_10899col_10256_1546RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Pla Planas, Albert
López Ibáñez, Beatriz
Gay Sacristán, Pablo
Pous i Sabadí, Carles
Ministerio de Ciencia e Innovación (Espanya)
Ministerio de Educación y Ciencia (Espanya)
2014-10-27T08:50:05Z
2014-10-27T08:50:05Z
2013-02
0167-9236
http://hdl.handle.net/10256/9599
http://dx.doi.org/10.1016/j.dss.2012.12.033
017585
1873-5797
In this work we propose a user-friendly medically oriented tool for prognosis development systems and experimentation under a case-based reasoning methodology. The tool enables health care collaboration practice to be mapped in cases where different doctors share their expertise, for example, or where medical committee composed of specialists from different fields work together to achieve a final prognosis. Each agent with a different piece of knowledge classifies the given cases through metrics designed for this purpose. Since multiple solutions for the same case are useless, agents collaborate among themselves in order to achieve a final decision through a coordinated schema. For this purpose, the tool provides a weighted voting schema and an evolutionary algorithm (genetic algorithm) to learn robust weights. Moreover, to test the experiments, the tool includes stratified cross-validation methods which take the collaborative environment into account. In this paper the different collaborative facilities offered by the tool are described. A sample usage of the tool is also provided
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2014-10-27T08:50:05Z
No. of bitstreams: 1
eXiT.pdf: 709892 bytes, checksum: b1cc5b6acc9df33b548ed65996eddd70 (MD5)
Made available in DSpace on 2014-10-27T08:50:05Z (GMT). No. of bitstreams: 1
eXiT.pdf: 709892 bytes, checksum: b1cc5b6acc9df33b548ed65996eddd70 (MD5)
Previous issue date: 2013-02
This research project has been partially funded through the projects labelled TIN2008-04547, DPI2011-24929 and CTQ2008-06865-C02-02 and the grants UDG-BR10/18 and FPU-AP2009-2831
application/pdf
eng
Elsevier
info:eu-repo/grantAgreement/MICINN//DPI2011-24929/ES/I-WMS: METODOS DE SOPORTE A LA DECISION PARA SISTEMAS DE GESTION DE WORKFLOWS FLEXIBLES/
info:eu-repo/grantAgreement/MICINN//TIN2008-04547/ES/SUBASTAS ROBUSTAS MEDIANTE LA INCORPORACION DE TECNICAS DE SATISFACTIBILIDAD MODULO TEORIAS/
info:eu-repo/grantAgreement/MICINN//CTQ2008-06865-C02-02/ES/RDS GRANULAR DE UNA ETAPA PARA EBN: DISEÑO Y OPERACION CON UN SISTEMA DE CONTROL AVANZADO/
Versió preprint del document publicat a: http://dx.doi.org/10.1016/j.dss.2012.12.033
© Decision Support Systems, 2013, vol. 54, núm. 3, p. 1499-1510
Articles publicats (ICRA)
SUBASTAS ROBUSTAS MEDIANTE LA INCORPORACION DE TECNICAS DE SATISFACTIBILIDAD MODULO TEORIAS
RDS GRANULAR DE UNA ETAPA PARA EBN: DISEÑO Y OPERACION CON UN SISTEMA DE CONTROL AVANZADO
I-WMS: METODOS DE SOPORTE A LA DECISION PARA SISTEMAS DE GESTION DE WORKFLOWS FLEXIBLES
Tots els drets reservats
info:eu-repo/semantics/openAccess
Raonament basat en casos
Case-based reasoning
Diagnòstic -- Presa de decisions
Diagnosis -- Decision making
Medicina -- Informàtica
Medicine -- Data processing
Sistemes d'ajuda a la decisió
Decision support systems
Sistemes multiagent
Multiagent systems
Algorismes genètics
Computer algorithms
Intel·ligència artificial -- Aplicacions a la medicina
Artificial intelligence -- Medical applications
EXiT*CBR.v2: Distributed case-based reasoning tool for medical prognosis
info:eu-repo/semantics/article
info:eu-repo/semantics/submittedVersion
Cap
rc1
ORIGINAL
eXiT.pdf
eXiT.pdf
application/pdf
709892
https://dugi-doc.udg.edu/bitstream/10256/9599/1/eXiT.pdf
b1cc5b6acc9df33b548ed65996eddd70
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/9599/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
eXiT.pdf.jpg
eXiT.pdf.jpg
Generated Thumbnail
image/jpeg
2333
https://dugi-doc.udg.edu/bitstream/10256/9599/3/eXiT.pdf.jpg
ffb8f5a423a3c254de3557f7e5cf99cc
MD5
3
10256/9599
oai:dugi-doc.udg.edu:10256/9599
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/96022021-07-01T10:18:18Zcom_10256_1523com_10256_2943col_10256_1546col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Pla Planas, Albert
López Ibáñez, Beatriz
Murillo Espinar, Javier
Ministerio de Economía y Competitividad (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2014-10-27T10:16:35Z
2014-10-27T10:16:35Z
2015-01
0950-7051
http://hdl.handle.net/10256/9602
http://dx.doi.org/10.1016/j.knosys.2014.09.009
022526
Multi-attribute resource allocation problems involve the allocation of resources on the basis of several attributes, therefore, the definition of a fairness method for this kind of auctions should be formulated from a multi-dimensional perspective. Under such point of view, fairness should take into account all the attributes involved in the allocation problem, since focusing on just a single attribute may compromise the allocations regarding the remainder attributes (e.g. incurring in delayed or bad quality tasks). In this paper, we present a multi-dimensional fairness approach based on priorities. For that purpose, a recurrent auction scenario is assumed, in which the auctioneer keeps track of winner and losers. From that information, the priority methods are defined based on the lost auctions number, the number of consecutive loses, and the fitness of their loser bids. Moreover, some methods contain a probabilistic parameter that enables handling wealth ranking disorders due to fairness. We test our approach in real-data based simulator which emulates an industrial production environment where several resource providers compete to perform different tasks. The results pointed that multi-dimensional fairness incentives agents to remain in the market whilst it improves the equity of the wealth distribution without compromising the quality of the allocation attributes
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2014-10-27T10:16:35Z
No. of bitstreams: 1
MultidimensionalFairness.pdf: 552308 bytes, checksum: f327ca3de01324fa94f2de5244a5dd63 (MD5)
Made available in DSpace on 2014-10-27T10:16:35Z (GMT). No. of bitstreams: 1
MultidimensionalFairness.pdf: 552308 bytes, checksum: f327ca3de01324fa94f2de5244a5dd63 (MD5)
Previous issue date: 2014-10-06
This research project has been partially funded through the BR10/18 Scholarship granted to the first author of the paper. Work developed with the support of the research group SITES awarded with distinction by the Generalitat de Catalunya (SGR 2014-2016) and the MESC project funded by the Spanish MINECO (Ref. DPI2013-47450-C2-1-R)
application/pdf
eng
Elsevier
info:eu-repo/grantAgreement/MINECO//DPI2013-47450-C2-1-R/ES/PLATAFORMA PARA LA MONITORIZACION Y EVALUACION DE LA EFICIENCIA DE LOS SISTEMAS DE DISTRIBUCION EN SMART CITIES/
AGAUR/2014-2016/2014 SGR-1052
Versió preprint del document publicat a: http://dx.doi.org/10.1016/j.knosys.2014.09.009
© Knowledge-Based Systems, 2015, vol. 73, p. 134-148
Articles publicats (ICRA)
PLATAFORMA PARA LA MONITORIZACION Y EVALUACION DE LA EFICIENCIA DE LOS SISTEMAS DE DISTRIBUCION EN SMART CITIES
Tots els drets reservats
info:eu-repo/semantics/openAccess
Sistemes multiagent
Multiagent systems
Subhastes
Auctions
Multi-dimensional fairness for auction-based resource allocation
info:eu-repo/semantics/article
info:eu-repo/semantics/submittedVersion
Cap
rc1
ORIGINAL
MultidimensionalFairness.pdf
MultidimensionalFairness.pdf
application/pdf
552308
https://dugi-doc.udg.edu/bitstream/10256/9602/1/MultidimensionalFairness.pdf
f327ca3de01324fa94f2de5244a5dd63
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/9602/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
MultidimensionalFairness.pdf.jpg
MultidimensionalFairness.pdf.jpg
Generated Thumbnail
image/jpeg
2085
https://dugi-doc.udg.edu/bitstream/10256/9602/3/MultidimensionalFairness.pdf.jpg
372fea94fb36867155ce66372d236018
MD5
3
10256/9602
oai:dugi-doc.udg.edu:10256/9602
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/96532021-07-01T10:18:18Zcom_10256_1004com_10256_2943col_10256_1544col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Costa Surós, Montse
Calbó Angrill, Josep
González Gutiérrez, Josep Abel
Long, Charles N.
Ministerio de Ciencia e Innovación (Espanya)
2014-11-10T07:38:17Z
2014-11-10T07:38:17Z
2014
1867-1381
http://hdl.handle.net/10256/9653
http://dx.doi.org/10.5194/amt-7-2757-2014
021506
1867-8548
The cloud vertical distribution and especially the cloud base height, which is linked to cloud type, are important characteristics in order to describe the impact of clouds on climate. In this work, several methods for estimating the cloud vertical structure (CVS) based on atmospheric sounding profiles are compared, considering the number and position of cloud layers, with a ground-based system that is taken as a reference: the Active Remote Sensing of Clouds (ARSCL). All methods establish some conditions on the relative humidity, and differ in the use of other variables, the thresholds applied, or the vertical resolution of the profile. In this study, these methods are applied to 193 radiosonde profiles acquired at the Atmospheric Radiation Measurement (ARM) Southern Great Plains site during all seasons of the year 2009 and endorsed by Geostationary Operational Environmental Satellite (GOES) images, to confirm that the cloudiness conditions are homogeneous enough across their trajectory. The perfect agreement (i.e., when the whole CVS is estimated
correctly) for the methods ranges between 26 and 64 %; the methods show additional approximate agreement (i.e., when at least one cloud layer is assessed correctly) from 15 to 41 %. Further tests and improvements are applied to one of these methods. In addition, we attempt to make this method suitable for low-resolution vertical profiles, like those from the outputs of reanalysis methods or from the World Meteorological Organization’s (WMO) Global Telecommunication System. The perfect agreement, even when using low-resolution profiles, can be improved by up to 67 % (plus 25 % of the approximate agreement) if the thresholds for a moist layer to become a cloud layer are modified to minimize false negatives with the current data set, thus improving overall agreement
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2014-11-10T07:38:16Z
No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
AtmMeasTech2014-ComparingCloud.pdf: 1696224 bytes, checksum: 86f92302c9c8287e0a16844ec763e321 (MD5)
Made available in DSpace on 2014-11-10T07:38:17Z (GMT). No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
AtmMeasTech2014-ComparingCloud.pdf: 1696224 bytes, checksum: 86f92302c9c8287e0a16844ec763e321 (MD5)
Previous issue date: 2014
This research was funded by the Ministerio de Ciencia e Innovacion of the Spanish Government through grants CGL2007-62664 (NUCLIEREX) and CGL2010-18546 (NUCLIERSOL). M. Costa-Suros was supported by research fellowship FPI BES-2008-003129 from the Ministerio de Ciencia e Innovacion of the Spanish Government. C. N. Long acknowledges support from the Office of Science of the US Department of Energy as part of the Atmospheric Systems Research (ASR) program. Data and TSI animations were obtained from the Atmospheric Radiation Measurement (ARM) program sponsored by the US Department of Energy. We thank L. Dimitrieva-Arrago for her explanations and interesting discussions while visiting the University of Girona in the framework of the UE CLIMSEAS project (FP7-PEOPLE-2009-IRSES proposal no. 247512). We also thank the National Oceanic and Atmospheric Administration (NOAA) Comprehensive Large Array-data stewardship system (CLASS) for providing GOES images for research use
application/pdf
eng
European Geosciences Union (EGU)
info:eu-repo/grantAgreement/MICINN//CGL2010-18546/ES/LAS NUBES Y SUS EFECTOS SOBRE LA RADIACION: DEL ESTUDIO DE SITUACIONES A ESCALA LOCAL AL ANALISIS CLIMATOLOGICO DE ALCANCE GLOBAL. INTERACCIONES CON EL AEROSOL ATMOSFERICO/
Reproducció digital del document publicat a: http://dx.doi.org/10.5194/amt-7-2757-2014
Atmospheric Measurement Techniques, 2014, vol. 7, núm. 9, p. 2757–2773
Articles publicats (D-F)
info:eu-repo/grantAgreement/EC/FP7/247512/EU/Climate Change and Inland Seas: Phenomena, Feedback and Uncertainties. The Physical Science Basis./CLIMSEAS
FP7
-1
CLIMSEAS
-1
LAS NUBES Y SUS EFECTOS SOBRE LA RADIACION: DEL ESTUDIO DE SITUACIONES A ESCALA LOCAL AL ANALISIS CLIMATOLOGICO DE ALCANCE GLOBAL. INTERACCIONES CON EL AEROSOL ATMOSFERICO
Attribution 3.0 Spain
http://creativecommons.org/licenses/by/3.0/es/
info:eu-repo/semantics/openAccess
Núvols
Clouds
Comparing the cloud vertical structure derived from several methods based on radiosonde profiles and ground-based remote sensing measurements
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
AtmMeasTech2014-ComparingCloud.pdf
AtmMeasTech2014-ComparingCloud.pdf
application/pdf
1696224
https://dugi-doc.udg.edu/bitstream/10256/9653/1/AtmMeasTech2014-ComparingCloud.pdf
86f92302c9c8287e0a16844ec763e321
MD5
1
CC-LICENSE
license_rdf
license_rdf
application/rdf+xml; charset=utf-8
1370
https://dugi-doc.udg.edu/bitstream/10256/9653/2/license_rdf
ac86fe33011bda956ed9b032abf4d402
MD5
2
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/9653/3/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
3
THUMBNAIL
AtmMeasTech2014-ComparingCloud.pdf.jpg
AtmMeasTech2014-ComparingCloud.pdf.jpg
Generated Thumbnail
image/jpeg
3282
https://dugi-doc.udg.edu/bitstream/10256/9653/4/AtmMeasTech2014-ComparingCloud.pdf.jpg
dc80725bc08d1636e105b874e469c213
MD5
4
10256/9653
oai:dugi-doc.udg.edu:10256/9653
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/97202017-03-01T12:06:38Zcom_10256_1517com_10256_2943col_10256_1536col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Quintana Pou, Xavier
Brucet Balmaña, Sandra
Boix Masafret, Dani
López i Flores, Rocío
Gascón Garcia, Stéphanie
Badosa i Salvador, Anna
Sala Genoher, Jordi
Moreno i Amich, Ramon
Egozcue, Juan José
Ministerio de Ciencia y Tecnología (Espanya)
2014-11-24T10:22:56Z
2014-11-24T10:22:56Z
2008
1541-5856
http://hdl.handle.net/10256/9720
http://dx.doi.org/10.4319/lom.2008.6.75
The most suitable method for estimation of size diversity is investigated. Size diversity is computed on the basis of the Shannon diversity expression adapted for continuous variables, such as size. It takes the form of an integral involving the probability density function (pdf) of the size of the individuals. Different approaches for the estimation of pdf are compared: parametric methods, assuming that data come from a determinate family of pdfs, and nonparametric methods, where pdf is estimated using some kind of local evaluation. Exponential, generalized Pareto, normal, and log-normal distributions have been used to generate simulated samples using estimated parameters from real samples. Nonparametric methods include discrete computation of data histograms based on size intervals and continuous kernel estimation of pdf. Kernel approach gives accurate estimation of size diversity, whilst parametric methods are only useful when the reference distribution have similar shape to the real one. Special attention is given for data standardization. The division of data by the sample geometric mean is proposed
as the most suitable standardization method, which shows additional advantages: the same size diversity value is obtained when using original size or log-transformed data, and size measurements with different dimensionality (longitudes, areas, volumes or biomasses) may be immediately compared with the simple addition of ln k where kis the dimensionality (1, 2, or 3, respectively). Thus, the kernel estimation, after data standardization by division of sample geometric mean, arises as the most reliable and generalizable method of size diversity evaluation
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2014-11-24T10:22:56Z
No. of bitstreams: 1
NonparametricMethod.pdf: 548952 bytes, checksum: 53da787781de7470bfcc2458ce2ae589 (MD5)
Made available in DSpace on 2014-11-24T10:22:56Z (GMT). No. of bitstreams: 1
NonparametricMethod.pdf: 548952 bytes, checksum: 53da787781de7470bfcc2458ce2ae589 (MD5)
Previous issue date: 2008
This work was supported by the grants from the Ministerio de Ciencia y Tecnología of the Spanish Government, Programa Nacional de Biodiversidad, Ciencias de la Tierra y Cambio Global (ref. CGL2004- 05433/BOS) and the project MEASURE (MTM2006-03040/)
application/pdf
eng
Association for the Sciences of Limnology and Oceanography (ASLO)
MCYT/PN 2004-2007/CGL2004-05433
Reproducció digital del document publicat a: http://dx.doi.org/10.4319/lom.2008.6.75
© Limnology and Oceanography: Methods, 2008, vol. 6, p. 75-86
Articles publicats (D-CCAA)
http://hdl.handle.net/10256/13685
Tots els drets reservats
info:eu-repo/semantics/openAccess
Mostreig (Estadística)
Sampling (Statistics)
Estimació de paràmetres
Parameter estimation
Funcions de variables complexes
Functions of complex variables
A nonparametric method for the measurement of size diversity with emphasis on data standardization
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
NonparametricMethod.pdf
NonparametricMethod.pdf
application/pdf
548952
https://dugi-doc.udg.edu/bitstream/10256/9720/1/NonparametricMethod.pdf
53da787781de7470bfcc2458ce2ae589
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/9720/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
NonparametricMethod.pdf.jpg
NonparametricMethod.pdf.jpg
Generated Thumbnail
image/jpeg
3359
https://dugi-doc.udg.edu/bitstream/10256/9720/3/NonparametricMethod.pdf.jpg
74a8e07fb4d4af3a5ba5afbc2a5059d1
MD5
3
10256/9720
oai:dugi-doc.udg.edu:10256/9720
2017-03-01 13:06:38.396
DUGiDocs
oriol.olive@udg.edu
Q29uZGljaW9ucyBkZWwgZGlww7JzaXQKCgpQZXIgcG9kZXIgcHVibGljYXIgZWwgZG9jdW1lbnQgYWwgRFVHaSBlbnMgY2FsIHVuYSBhdXRvcml0emFjacOzIHZvc3RyYSBwZXIgZGlmb25kcmUsIHB1YmxpY2FyIG8gY29tdW5pY2FyIGVsIHRleHQgZW4gbGVzIGNvbmRpY2lvbnMgc2Vnw7xlbnRzOgoKCi0gQXV0b3JpdHpvIGEgbGEgVW5pdmVyc2l0YXQgZGUgR2lyb25hIGEgZGlmb25kcmUsIHB1YmxpY2FyIG8gY29tdW5pY2FyIGVscyBkb2N1bWVudHMsIGRlIGZvcm1hIMOtbnRlZ3JhIG8gcGFyY2lhbCwgc2Vuc2Ugb2J0ZW5pciBjYXAgYmVuZWZpY2kgY29tZXJjaWFsLCDDum5pY2FtZW50IGFtYiBmaW5hbGl0YXRzIGRlIHJlY2VyY2EgaSBzdXBvcnQgbyBpbOKAomx1c3RyYWNpw7MgZGUgbGEgZG9jw6huY2lhLCBtaXRqYW7Dp2FudCBsYSBpbmNvcnBvcmFjacOzIGRlbHMgZG9jdW1lbnRzIGEgdW5hIGJhc2UgZGUgZGFkZXMgZWxlY3Ryw7JuaWNhIGTigJlhY2PDqXMgb2JlcnQuCgoKUGVyIGEgYXF1ZXN0ZXMgZmluYWxpdGF0cyBjZWRlaXhvIGRlIGZvcm1hIG5vIGV4Y2x1c2l2YSwgc2Vuc2UgbMOtbWl0IHRlbXBvcmFsIG5pIHRlcnJpdG9yaWFsLCBlbHMgZHJldHMgZOKAmWV4cGxvdGFjacOzIHF1ZSBlbSBjb3JyZXNwb25lbiBjb20gYSBhdXRvci9hLgoKCi0gQXV0b3JpdHpvIGEgbGEgVW5pdmVyc2l0YXQgZGUgR2lyb25hIGxhIGPDsnBpYSBkZWxzIGRvY3VtZW50cyBlbiB1biBhbHRyZSBzdXBvcnQsIGFkYXB0YXItbG9zIG8gdHJhbnNmb3JtYXItbG9zIGFtYiBmaW5hbGl0YXRzIGRlIGNvbnNlcnZhY2nDsyBvIGRpZnVzacOzLCBpIGzigJlhY29yZCBhbWIgdGVyY2VyZXMgcGVyc29uZXMgcGVyIHJlYWxpdHphciBhcXVlc3RhIGNvbnNlcnZhY2nDsyBpIGRpZnVzacOzIHJlc3BlY3RhbnQgbGEgY2Vzc2nDsyBkZSBkcmV0cyBxdWUgYXJhIGVmZWN0dW8uCgoKLSBFbSByZXNlcnZvIGxhIHJlc3RhIGRlIGRyZXRzIGFscyBxdWFscyBubyBlcyBmYSByZWZlcsOobmNpYSBlbiBlbCBwcmVzZW50IGRvY3VtZW50LgoKCkxhIFVkRyBhZ3JhZWl4IGxhIHZvc3RyYSBjb2zigKJsYWJvcmFjacOzLgo=
oai:dugi-doc.udg.edu:10256/97212021-07-01T10:18:18Zcom_10256_1525com_10256_2943col_10256_1548col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Company Casadevall, Núria
Nadal i Matamala, Anna
Ruiz Ramírez, Cristina
Ministerio de Ciencia e Innovación (Espanya)
2014-11-24T10:24:27Z
2014-11-24T10:24:27Z
2014-11
http://hdl.handle.net/10256/9721
http://dx.doi.org/10.1371/journal.pone.0109990
022667
1932-6203
Synthetic linear antimicrobial peptides with cationic α-helical structures, such as BP100, have potent and specific activities against economically important plant pathogenic bacteria. They are also recognized as valuable therapeutics and preservatives. However, highly active BP100 derivatives are often phytotoxic when expressed at high levels as recombinant peptides in plants. Here we demonstrate that production of recombinant phytotoxic peptides in transgenic plants is possible by strictly limiting transgene expression to certain tissues and conditions, and specifically that minimization of this expression during transformation and regeneration of transgenic plants is essential to obtain viable plant biofactories. On the basis of whole-genome transcriptomic data available online, we identified the Os.hsp82 promoter that fulfilled this requirement and was highly induced in response to heat shock. Using this strategy, we generated transgenic rice lines producing moderate yields of severely phytotoxic BP100 derivatives on exposure to high temperature. In addition, a threshold for gene expression in selected tissues and stages was experimentally established, below which the corresponding promoters should be suitable for driving the expression of recombinant phytotoxic proteins in genetically modified plants. In view of the growing transcriptomics data available, this approach is of interest to assist promoter selection for specific purposes
Submitted by Irene Bosch (irene.bosch@udg.edu) on 2014-11-24T10:24:27Z
No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
Production-phytotoxic-cationic.pdf: 1166049 bytes, checksum: dbd5a1d83945bed6b1dde7142651090a (MD5)
Made available in DSpace on 2014-11-24T10:24:27Z (GMT). No. of bitstreams: 2
license_rdf: 1370 bytes, checksum: ac86fe33011bda956ed9b032abf4d402 (MD5)
Production-phytotoxic-cationic.pdf: 1166049 bytes, checksum: dbd5a1d83945bed6b1dde7142651090a (MD5)
Previous issue date: 2014-11
This work was financially supported by the Spanish Ministerio de Economia y Competitividad (reference AGL2010-17181/AGR). The research group belongs to 2014SGR697, recognized by the Catalonian Government. N.C. and C.R. received fellowships from Generalitat de Catalunya
application/pdf
eng
Public Library of Science
info:eu-repo/grantAgreement/MICINN//AGL2010-17181/ES/EFECTOS NO INTENCIONADOS DE TRANSGENES Y OPTIMIZACION DE LA PRODUCCION DE PEPTIDOS ANTIMICROBIANOS DE USO FITOSANITARIO EN PLANTAS-BIOFACTORIA/
Reproducció digital del document publicat a: http://dx.doi.org/10.1371/journal.pone.0109990
PLoS ONE, 2014, vol. 9, núm. 11, p. e109990
Articles publicats (D-EQATA)
EFECTOS NO INTENCIONADOS DE TRANSGENES Y OPTIMIZACION DE LA PRODUCCION DE PEPTIDOS ANTIMICROBIANOS DE USO FITOSANITARIO EN PLANTAS-BIOFACTORIA
Attribution 3.0 Spain
http://creativecommons.org/licenses/by/3.0/es/
info:eu-repo/semantics/openAccess
Plantes -- Malalties
Plant diseases
Bacteris fitopatògens
Phytopathogenic bacteria
Plantes transgèniques
Transgenic plants
Antibiòtics pèptids
Peptide antibiotics
Production of Phytotoxic Cationic α-Helical Antimicrobial Peptides in Plant Cells Using Inducible Promoters
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
rc1
ORIGINAL
Production-phytotoxic-cationic.pdf
Production-phytotoxic-cationic.pdf
application/pdf
1166049
https://dugi-doc.udg.edu/bitstream/10256/9721/1/Production-phytotoxic-cationic.pdf
dbd5a1d83945bed6b1dde7142651090a
MD5
1
CC-LICENSE
license_rdf
license_rdf
application/rdf+xml; charset=utf-8
1370
https://dugi-doc.udg.edu/bitstream/10256/9721/2/license_rdf
ac86fe33011bda956ed9b032abf4d402
MD5
2
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/9721/3/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
3
THUMBNAIL
Production-phytotoxic-cationic.pdf.jpg
Production-phytotoxic-cationic.pdf.jpg
Generated Thumbnail
image/jpeg
3618
https://dugi-doc.udg.edu/bitstream/10256/9721/4/Production-phytotoxic-cationic.pdf.jpg
8441f72b4853253896b9b18aa87cdfae
MD5
4
10256/9721
oai:dugi-doc.udg.edu:10256/9721
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/97232023-05-26T08:58:49Zcom_10256_1004com_10256_2943col_10256_1544col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Costa Surós, Montse
Calbó Angrill, Josep
González Gutiérrez, Josep Abel
Martín-Vide, Javier
Ministerio de Ciencia e Innovación (Espanya)
Ministerio de Educación y Ciencia (Espanya)
2014-11-24T11:34:09Z
2015-07-07T03:00:27Z
2013-06
info:eu-repo/date/embargoEnd/2015-06-01
0169-8095
http://hdl.handle.net/10256/9723
http://dx.doi.org/10.1016/j.atmosres.2013.02.005
Given the importance of clouds in the climate, and the difficulty in determining their behavior and their contribution to climate change, there is a need for improvement of methods for automatic and continuous description of cloud characteristics. Ceilometers constitute a priori a reliable instrumental method for sounding the atmosphere and describing cloudiness, specifically cloud base height (CBH), cloud cover, and even cloud vertical structure. In the present study, the behavior of CBH at different time scales has been investigated at Girona (Spain) including a statistical analysis of the frequency distributions of CBH. The study covers four years (2007-2010) of high resolution (both in time and in the vertical direction) ceilometer measurements. At this location, ceilometer measurements reveal a seasonal cycle, with important differences between "extreme" seasons (winter and summer) and the "transition" seasons (spring and autumn). Summer months in general and July in particular behave quite differently than other periods in the year, both regarding the presence of clouds (with a minimum cloud occurrence of about 20-30%) and the distribution of CBH (with more than 25% of clouds having CBH around 1400. m and 80% of clouds with CBH lower than 3000. m). The distributions of CBH are explained on the basis of some atmospheric situations that generate clouds, in particular conditions that produce the large number of low level clouds found
Submitted by Irene Bosch (irene.bosch@udg.edu) on 2014-11-24T11:34:09Z
No. of bitstreams: 1
Behavior-cloud-base.pdf: 1091303 bytes, checksum: 9b5d74a1bea10fe545b33def4269b9eb (MD5)
Made available in DSpace on 2014-11-24T11:34:09Z (GMT). No. of bitstreams: 1
Behavior-cloud-base.pdf: 1091303 bytes, checksum: 9b5d74a1bea10fe545b33def4269b9eb (MD5)
Previous issue date: 2013-06
This research was funded by the Ministerio de Ciencia e Innovacion of the Spanish Government through grants CGL2007-62664 (NUCLIEREX) and CGL2010-18546 (NUCLIERSOL) projects. Visual observations of cloudiness used for comparison have been kindly provided by the Spanish Agenda Estatal de Meteorologia (AEMET). Montse Costa-Suros was supported by research fellowship FPI BES-2008-003129 from Ministerio de Ciencia e Innovacion of the Spanish Government
application/pdf
eng
Elsevier
info:eu-repo/grantAgreement/MICINN//CGL2010-18546/ES/LAS NUBES Y SUS EFECTOS SOBRE LA RADIACION: DEL ESTUDIO DE SITUACIONES A ESCALA LOCAL AL ANALISIS CLIMATOLOGICO DE ALCANCE GLOBAL. INTERACCIONES CON EL AEROSOL ATMOSFERICO/
info:eu-repo/grantAgreement/MEC//CGL2007-62664/ES/NUBES Y CAMBIO CLIMATICO: VARIABILIDAD Y TENDENCIAS DE LA NUBOSIDAD E INSOLACION EN LA PENINSULA IBERICA, Y MEDIDA Y MODELIZACION DE LOS EFECTOS RADIATIVOS DE LAS NUBES EN SUPERFICIE/
Versió postprint del document publicat a: http://dx.doi.org/10.1016/j.atmosres.2013.02.005
© Atmospheric Research, 2013, vol. 127, p. 64-76
Articles publicats (D-F)
LAS NUBES Y SUS EFECTOS SOBRE LA RADIACION: DEL ESTUDIO DE SITUACIONES A ESCALA LOCAL AL ANALISIS CLIMATOLOGICO DE ALCANCE GLOBAL. INTERACCIONES CON EL AEROSOL ATMOSFERICO
NUBES Y CAMBIO CLIMATICO: VARIABILIDAD Y TENDENCIAS DE LA NUBOSIDAD E INSOLACION EN LA PENINSULA IBERICA, Y MEDIDA Y MODELIZACION DE LOS EFECTOS RADIATIVOS DE LAS NUBES EN SUPERFICIE
Tots els drets reservats
info:eu-repo/semantics/openAccess
Núvols
Clouds
Ceilòmetre
Ceilometer
Climatologia
Climatology
Behavior of cloud base height from ceilometer measurements
info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
24 mesos
rc1
ORIGINAL
Behavior-cloud-base.pdf
Behavior-cloud-base.pdf
application/pdf
1091303
https://dugi-doc.udg.edu/bitstream/10256/9723/1/Behavior-cloud-base.pdf
9b5d74a1bea10fe545b33def4269b9eb
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/9723/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Behavior-cloud-base.pdf.jpg
Behavior-cloud-base.pdf.jpg
Generated Thumbnail
image/jpeg
1379
https://dugi-doc.udg.edu/bitstream/10256/9723/3/Behavior-cloud-base.pdf.jpg
23725731cdbd0c90a525600cb6f0e2bc
MD5
3
10256/9723
oai:dugi-doc.udg.edu:10256/9723
2023-05-26 10:58:49.315
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/97372021-07-01T10:18:18Zcom_10256_1004com_10256_2943col_10256_1544col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Farjas Silva, Jordi
Roura Grabulosa, Pere
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2014-11-26T10:25:34Z
2016-12-21T04:01:33Z
2014
0040-6031
http://hdl.handle.net/10256/9737
http://dx.doi.org/10.1016/j.tca.2014.10.024
022272
A key parameter of many transformations when heated at a constant rate is the peak temperature, i.e., the temperature at which the transformation rate is at its maximum. The most universal approach to determine the peak temperature for thermally activated transformations is the Kissinger equation. In this paper, we solve Kissinger equation to deduce the exact dependence of the peak temperature on the heating rate. This analytical solution is based on the Lambert W-function. In addition, an approximate solution is derived that is used to infer general properties of thermally activated processes and to obtain a test to check the validity of Kissinger method
Submitted by Usuari Grec Biblioteca (grec-biblio@udg.edu) on 2014-11-26T10:25:33Z
No. of bitstreams: 1
022272.pdf: 985385 bytes, checksum: a7ec4268be039e008508d8a09ff7cf3f (MD5)
Made available in DSpace on 2014-11-26T10:25:34Z (GMT). No. of bitstreams: 1
022272.pdf: 985385 bytes, checksum: a7ec4268be039e008508d8a09ff7cf3f (MD5)
Previous issue date: 2014-10-31
This work was partially funded by the Spanish Programa Nacional de Materiales through project MAT2011-28874-C02-02 and by the Generalitat de Catalunya contract No. 2009SGR-185
8 p.
application/pdf
eng
Elsevier
info:eu-repo/grantAgreement/MICINN//MAT2011-28874-C02-02/ES/NANOESTRUCTURAS TENSIONADAS PARA CINTAS SUPERCONDUCTORAS DE YBCO DE BAJO COSTE Y PRESTACIONES ELEVADAS.: ANALISIS TERMICO AVANZADO/
AGAUR/2009-2013/2009 SGR-185
Versió postprint del document publicat a: http://dx.doi.org/10.1016/j.tca.2014.10.024
© Thermochimica Acta, 2014, vol. 598, p. 51-58
Articles publicats (D-F)
NANOESTRUCTURAS TENSIONADAS PARA CINTAS SUPERCONDUCTORAS DE YBCO DE BAJO COSTE Y PRESTACIONES ELEVADAS.: ANALISIS TERMICO AVANZADO
Tots els drets reservats
info:eu-repo/semantics/openAccess
Farjas Silva, Jordi Roura Grabulosa, Pere 2014 Exact analytical solution for the Kissinger equation: Determination of the peak temperature and general properties of thermally activated transformations Thermochimica Acta 598 51 58
Termodinàmica
Thermodynamic
Kissinger's functions
Kissinger, Funcions de
Lambert’s functions
Lambert, Funcions de
Exact analytical solution for the Kissinger equation: Determination of the peak temperature and general properties of thermally activated transformations
info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
rc1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/9737/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
SWORD
mets.xml
SWORD deposit package
application/zip
771317
https://dugi-doc.udg.edu/bitstream/10256/9737/3/mets.xml
eb6db36dc56ef1724ba8d1e64aa4c389
MD5
3
ORIGINAL
Postprint-ExactAnalytical.pdf
Postprint-ExactAnalytical.pdf
application/pdf
393656
https://dugi-doc.udg.edu/bitstream/10256/9737/4/Postprint-ExactAnalytical.pdf
6df2cc47ebd28486606a00789e200215
MD5
4
THUMBNAIL
Postprint-ExactAnalytical.pdf.jpg
Postprint-ExactAnalytical.pdf.jpg
Generated Thumbnail
image/jpeg
1979
https://dugi-doc.udg.edu/bitstream/10256/9737/5/Postprint-ExactAnalytical.pdf.jpg
8c18091c4340b2fdef5629762a8c23f7
MD5
5
10256/9737
oai:dugi-doc.udg.edu:10256/9737
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/98332021-10-18T08:20:45Zcom_10256_1004com_10256_2943col_10256_1544col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Eloussifi, Hichem
Farjas Silva, Jordi
Roura Grabulosa, Pere
Ricart, Susagna
Puig Molina, Teresa
Obradors, Xavier
Dammak, Mohamed
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2015-01-13T09:20:51Z
2017-01-13T04:00:05Z
2013
0040-6031
http://hdl.handle.net/10256/9833
http://dx.doi.org/10.1016/j.tca.2013.01.022
017611
The thermal decomposition of barium trifluoroacetate thin films under different atmospheres is presented. Thermogravimetry and evolved gas analysis have been used for this in situ analysis. We focus our attention on the different behavior exhibited by films when compared to powders. The decomposition of barium trifluoroacetate is altered due to the faster out-diffusion of the product reaction:CF2. After barium trifluoroacetate decomposition a stable intermediate, barium fluoride, is formed. The decomposition of barium fluoride is diffusion controlled and depends on water partial pressure
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2015-01-13T09:20:51Z
No. of bitstreams: 1
Postprint-ThermalDecomposition.pdf: 617829 bytes, checksum: 362dc0aa9e227aaba184549f79a569a4 (MD5)
Made available in DSpace on 2015-01-13T09:20:51Z (GMT). No. of bitstreams: 1
Postprint-ThermalDecomposition.pdf: 617829 bytes, checksum: 362dc0aa9e227aaba184549f79a569a4 (MD5)
Previous issue date: 2013
This work was partially funded by the Spanish Programa Nacional de Materiales through projects MAT2011-28874-C02-01 and MAT2011-28874-C02-02, by the Consolider program Nanoselect, CSD2007-00041, EU project NESPA-RTN and by the Generalitat de Catalunya contracts No. 2009SGR-185 and 2009SGR-770
application/pdf
eng
Elsevier
info:eu-repo/grantAgreement/MICINN//MAT2011-28874-C02-02/ES/NANOESTRUCTURAS TENSIONADAS PARA CINTAS SUPERCONDUCTORAS DE YBCO DE BAJO COSTE Y PRESTACIONES ELEVADAS.: ANALISIS TERMICO AVANZADO/
AGAUR/2009-2013/2009 SGR-185
Versió postprint del document publicat a: http://dx.doi.org/10.1016/j.tca.2013.01.022
© Thermochimica Acta, 2013, vol. 556, p. 58-62
Articles publicats (D-F)
NANOESTRUCTURAS TENSIONADAS PARA CINTAS SUPERCONDUCTORAS DE YBCO DE BAJO COSTE Y PRESTACIONES ELEVADAS.: ANALISIS TERMICO AVANZADO
Tots els drets reservats
info:eu-repo/semantics/openAccess
Mass spectrometry
Thin films
Espectrometria de masses
Compostos de bari
Barium compounds
Capes fines
Anàlisi tèrmica
Thermal analysis
Capes fines de compostos de bari
Thin films barium compounds
Thermal decomposition of barium trifluoroacetate thin films
info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
rc1
ORIGINAL
Postprint-ThermalDecomposition.pdf
Postprint-ThermalDecomposition.pdf
application/pdf
617829
https://dugi-doc.udg.edu/bitstream/10256/9833/1/Postprint-ThermalDecomposition.pdf
362dc0aa9e227aaba184549f79a569a4
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/9833/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Postprint-ThermalDecomposition.pdf.jpg
Postprint-ThermalDecomposition.pdf.jpg
Generated Thumbnail
image/jpeg
2447
https://dugi-doc.udg.edu/bitstream/10256/9833/3/Postprint-ThermalDecomposition.pdf.jpg
8667d88288809ad077b62a04056e5409
MD5
3
10256/9833
oai:dugi-doc.udg.edu:10256/9833
2021-10-18 10:20:45.504
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/98342021-10-18T08:20:32Zcom_10256_1004com_10256_2943col_10256_1544col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Eloussifi, Hichem
Farjas Silva, Jordi
Roura Grabulosa, Pere
Ricart, Susagna
Puig Molina, Teresa
Obradors, Xavier
Dammak, Mohamed
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2015-01-13T10:09:38Z
2017-01-13T04:00:05Z
2013
info:eu-repo/date/embargoEnd/2015-10-31
0040-6090
http://hdl.handle.net/10256/9834
http://dx.doi.org/10.1016/j.tsf.2013.07.082
018276
We present the use of the thermal analysis techniques to study yttrium trifluoroacetate thin films decomposition.In situ analysis was done by means of thermogravimetry, differential thermal analysis, and evolved gas analysis.Solid residues at different stages and the final product have been characterized by X-ray diffraction and scanning electron microscopy.The thermal decomposition of yttrium trifluoroacetate thin films results in the formation of yttria and presents the same succession of intermediates than powder's decomposition, however, yttria and all intermediates but YF3 appear at significantly lower temperatures.We also observe a dependence on the water partial pressure that was not observed in the decomposition of yttrium trifluoroacetate powders.Finally, a dependence on the substrate chemical composition is discerned
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2015-01-13T10:09:38Z
No. of bitstreams: 1
Postprint-ThermoanalyticalStudy.pdf: 457172 bytes, checksum: 6cbadf98d88cf88830af9664bc3f85cd (MD5)
Made available in DSpace on 2015-01-13T10:09:38Z (GMT). No. of bitstreams: 1
Postprint-ThermoanalyticalStudy.pdf: 457172 bytes, checksum: 6cbadf98d88cf88830af9664bc3f85cd (MD5)
Previous issue date: 2013
This work was partially funded by the Spanish Programa Nacional de Materiales through projects MAT2011-28874-C02-01 and MAT2011-28874-C02-02, by the Consolider program Nanoselect, CSD2007-00041, EU project EUROTAPES NMP3-LA-2012-280432 and by the Generalitat de Catalunya contract nos. 2009SGR-185 and 2009SGR-770
application/pdf
eng
Elsevier
info:eu-repo/grantAgreement/MICINN//MAT2011-28874-C02-02/ES/NANOESTRUCTURAS TENSIONADAS PARA CINTAS SUPERCONDUCTORAS DE YBCO DE BAJO COSTE Y PRESTACIONES ELEVADAS.: ANALISIS TERMICO AVANZADO/
AGAUR/2009-2013/2009 SGR-185
Versió postprint del document publicat a: http://dx.doi.org/10.1016/j.tsf.2013.07.082
© Thin Solid Films, 2013, vol. 545, p. 200-204
Articles publicats (D-F)
NANOESTRUCTURAS TENSIONADAS PARA CINTAS SUPERCONDUCTORAS DE YBCO DE BAJO COSTE Y PRESTACIONES ELEVADAS.: ANALISIS TERMICO AVANZADO
Tots els drets reservats
info:eu-repo/semantics/openAccess
Pyrolysis
Thermal analysis
Thin films
Anàlisi tèrmica
Piròlisi
Capes fines
Itri
Yttrium
Thermoanalytical study of the decomposition of yttrium trifluoroacetate thin films
info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
24 mesos
rc1
ORIGINAL
Postprint-ThermoanalyticalStudy.pdf
Postprint-ThermoanalyticalStudy.pdf
application/pdf
457172
https://dugi-doc.udg.edu/bitstream/10256/9834/1/Postprint-ThermoanalyticalStudy.pdf
6cbadf98d88cf88830af9664bc3f85cd
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/9834/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Postprint-ThermoanalyticalStudy.pdf.jpg
Postprint-ThermoanalyticalStudy.pdf.jpg
Generated Thumbnail
image/jpeg
2306
https://dugi-doc.udg.edu/bitstream/10256/9834/3/Postprint-ThermoanalyticalStudy.pdf.jpg
d5aa70e6e7325a466d6a4e27323ec6cb
MD5
3
10256/9834
oai:dugi-doc.udg.edu:10256/9834
2021-10-18 10:20:32.946
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/100222024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Cussó Forest, Olaf
Garcia Bosch, Isaac
Ribas Salamaña, Xavi
Lloret Fillol, Julio
Costas Salgueiro, Miquel
European Research Council
Ministerio de Economía y Competitividad (Espanya)
Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2015-02-03T16:11:25Z
2015-02-03T16:11:25Z
2013
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
0002-7863
http://hdl.handle.net/10256/10022
http://dx.doi.org/10.1021/ja4078446
018975
1520-5126
A non-heme iron complex that catalyzes highly enantioselective epoxidation of olefins with H2O2 is described. Improvement of enantiomeric excesses is attained by the use of catalytic amounts of carboxylic acid additives. Electronic effects imposed by the ligand on the iron center are shown to synergistically cooperate with catalytic amounts of carboxylic acids in promoting efficient O-O cleavage and creating highly chemo-and enantioselective epoxidizing species which provide a broad range of epoxides in synthetically valuable yields and short reaction times
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2015-02-03T16:11:25Z
No. of bitstreams: 1
AsymmetricEpoxidation.pdf: 545996 bytes, checksum: 1534548e721cd67aa77161d2fedde1e8 (MD5)
Made available in DSpace on 2015-02-03T16:11:25Z (GMT). No. of bitstreams: 1
AsymmetricEpoxidation.pdf: 545996 bytes, checksum: 1534548e721cd67aa77161d2fedde1e8 (MD5)
Previous issue date: 2013
We acknowledge financial support from European Research Council (ERC-2009-StG-239910), MINECO of Spain (CTQ2012-37420-C02-01/BQU, Consolider-Ingenio CSD2010-00065), and the Catalan DIUE of the Generalitat de Catalunya (2009SGR637). J.Ll.-F. thanks MICINN for a RyC contract. X.R. and M.C. acknowledge ICREA-Academia awards. X.R. is grateful for financial support from INNPLAN-TA Project No. IPN-2011-0059-PCT-42000-ACT1. I.G.-B. thanks the European Community for an IOF Marie Curie fellowship. We acknowledge STRs from UdG for technical support
application/pdf
eng
American Chemical Society (ACS)
info:eu-repo/grantAgreement/MINECO//CTQ2012-37420-C02-01/ES/DISEÑO BIOINSPIRADO DE CATALIZADORES PARA LA OXIDACION DE ENLACES C-H, C=C Y AGUA/
MICINN/PN 2010-2016/CSD2010-00065
AGAUR/2009-2014/2009 SGR-637
Reproducció digital del document publicat a: http://dx.doi.org/10.1021/ja4078446
© Journal of the American Chemical Society, 2013, vol. 135, núm. 39, p. 14871-14878
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/239910/EU/Bio-inspired Design of Catalysts for Selective Oxidations of C-H and C=C Bonds/BIDECASEOX
FP7
-1
BIDECASEOX
-1
DISEÑO BIOINSPIRADO DE CATALIZADORES PARA LA OXIDACION DE ENLACES C-H, C=C Y AGUA
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Epòxids
Epoxy compounds
Catalitzadors
Catalysts
Compostos heterocíclics
Heterocyclic compounds
Asymmetric epoxidation with H2O2 by manipulating the electronic properties of non-heme iron catalysts
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
AsymmetricEpoxidation.pdf
AsymmetricEpoxidation.pdf
application/pdf
545996
https://dugi-doc.udg.edu/bitstream/10256/10022/1/AsymmetricEpoxidation.pdf
1534548e721cd67aa77161d2fedde1e8
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/10022/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
AsymmetricEpoxidation.pdf.jpg
AsymmetricEpoxidation.pdf.jpg
Generated Thumbnail
image/jpeg
3549
https://dugi-doc.udg.edu/bitstream/10256/10022/3/AsymmetricEpoxidation.pdf.jpg
60f60b65529db3f4b75bcf8ad09a3571
MD5
3
10256/10022
oai:dugi-doc.udg.edu:10256/10022
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/100962021-07-01T10:18:18Zcom_10256_2943com_10256_1523com_10256_4398col_10256_10899col_10256_1546col_10256_7137RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Torrent-Fontbona, Ferran
López Ibáñez, Beatriz
Ministerio de Economía y Competitividad (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
2015-02-20T09:37:37Z
2015-02-20T09:37:37Z
2015-02-15
0378-7788
http://hdl.handle.net/10256/10096
http://dx.doi.org/10.1016/j.enbuild.2014.12.030
Electric bills consist of a cost related to the consumed energy and a cost related to the maximum demanded power. This latter part usually accounts for approximately 25-40% of the bill. Demanded power by big consumers is measured in real time and electric companies highly penalise them if the maximum demanded power (along the billing period) exceeds the contracted power by the consumer. In this paper we propose a new method that, given the demanded power of close consumers for a time window (power profile), power costs are reduced by re-allocating the demanded power among consumers in order to keep all of them below or equal to their contracted power. We also propose and analyse some strategies to set a preference when not all power profiles can be kept below the contracted power. We tested this method using real-based simulated power profiles of eight different business buildings located in Girona and the power cost reduction achieved reached approximately 20%
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2015-02-20T09:36:57Z
No. of bitstreams: 1
Prepirnt-APRA.pdf: 488215 bytes, checksum: 10a38d26872b81edcd5193166d4786f2 (MD5)
Approved for entry into archive by Claudia Plana (claudia.plana@udg.edu) on 2015-02-20T09:37:37Z (GMT) No. of bitstreams: 1
Prepirnt-APRA.pdf: 488215 bytes, checksum: 10a38d26872b81edcd5193166d4786f2 (MD5)
Made available in DSpace on 2015-02-20T09:37:37Z (GMT). No. of bitstreams: 1
Prepirnt-APRA.pdf: 488215 bytes, checksum: 10a38d26872b81edcd5193166d4786f2 (MD5)
Previous issue date: 2015-02-15
This research project has been partially funded through BR-UdG2012 Scholarship of the University of Girona granted to Ferran Torrent-Fontbona. The work developed with the support of the research group SITES awarded with distinction by the Generalitat de Catalunya (2014 SGR 1052) and the MESC project funded by the Spanish MINECO (Ref. DPI2013-47450-C2-1-R)
application/pdf
eng
Elsevier
info:eu-repo/grantAgreement/MINECO//DPI2013-47450-C2-1-R/ES/PLATAFORMA PARA LA MONITORIZACION Y EVALUACION DE LA EFICIENCIA DE LOS SISTEMAS DE DISTRIBUCION EN SMART CITIES/
AGAUR/2014-2016/2014 SGR-1052
Versió preprint del document publicat a: http://dx.doi.org/10.1016/j.enbuild.2014.12.030
© Energy and Buildings, 2015, vol. 89, p. 112-122
Articles publicats (IIIA)
PLATAFORMA PARA LA MONITORIZACION Y EVALUACION DE LA EFICIENCIA DE LOS SISTEMAS DE DISTRIBUCION EN SMART CITIES
Tots els drets reservats
info:eu-repo/semantics/openAccess
Energia elèctrica
Electric power
Electricitat
Electricity
Imparcialitat
Fairness
Power re-allocation for reducing contracted electric power costs
info:eu-repo/semantics/article
info:eu-repo/semantics/submittedVersion
Cap
rc1
ORIGINAL
Prepirnt-APRA.pdf
Prepirnt-APRA.pdf
application/pdf
488215
https://dugi-doc.udg.edu/bitstream/10256/10096/1/Prepirnt-APRA.pdf
10a38d26872b81edcd5193166d4786f2
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/10096/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Prepirnt-APRA.pdf.jpg
Prepirnt-APRA.pdf.jpg
Generated Thumbnail
image/jpeg
2120
https://dugi-doc.udg.edu/bitstream/10256/10096/3/Prepirnt-APRA.pdf.jpg
e531fa209b349ba7611a433cd8e9b3ec
MD5
3
10256/10096
oai:dugi-doc.udg.edu:10256/10096
2021-07-01 12:18:18.682796
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/101762024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Lyakin, Oleg Y.
Prat Casellas, Irene
Bryliakov, Konstantin P.
Costas Salgueiro, Miquel
Talsi, Evgenii P.
Ministerio de Ciencia e Innovación (Espanya)
Ministerio de Ciencia y Tecnología (Espanya)
2015-03-23T12:41:49Z
2015-03-23T12:41:49Z
2012
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
1566-7367
http://hdl.handle.net/10256/10176
http://dx.doi.org/10.1016/j.catcom.2012.09.029
017187
Very recently, in situ cryospray-assisted variable temperature mass spectrometry (VT-MS) has been used to obtain the first convincing evidence for a HO-Fe-V=O intermediate in the catalyst system [((Me2)PyTACN) Fe-II(OTf)(2)] (4)/H2O2 ((Me2)PyTACN = 1-(2'-pyridylmethyl)-4,7-dimethyl-1,4,7-triazacyclononane, OTf = OSO2CF3). The herein presented EPR spectroscopic study of the same system witnesses the formation of S = 1/2 reactive iron species. Its EPR parameters, in combination with its reactivity pattern toward cyclohexene and with independently obtained VT-MS data, allow for its reasonable assignment to the reactive [((Me2)PyTACN)Fe-V=O(OH)](2+) (4c) species
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2015-03-23T12:41:49Z
No. of bitstreams: 1
EPRdetection.pdf: 366138 bytes, checksum: a9a07f0b140301ed395c53677ca97ae0 (MD5)
Made available in DSpace on 2015-03-23T12:41:49Z (GMT). No. of bitstreams: 1
EPRdetection.pdf: 366138 bytes, checksum: a9a07f0b140301ed395c53677ca97ae0 (MD5)
Previous issue date: 2012
The authors thank the Russian Foundation for Basic Research, grants 12-03-31709 and 12-03-00782, for financial support. M.C. thanks MCYT (CTQ-2009-08864, and Consolider Ingenio CSD-2010-00065), ERC-2009-StG-239910, ICREA Academia Awards and SGR-239910
application/pdf
eng
Elsevier
MICINN/PN 2010-2016/CSD2010-00065
MICYT/CTQ2009-08864
Reproducció digital del document publicat a: http://dx.doi.org/10.1016/j.catcom.2012.09.029
© Catalysis Communications, 2012, vol. 29, p. 105-108
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/239910/EU/Bio-inspired Design of Catalysts for Selective Oxidations of C-H and C=C Bonds/BIDECASEOX
FP7
-1
BIDECASEOX
-1
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Química bioinorgànica
Bioinorganic chemistry
Aigua oxigenada
Hydrogen peroxide
Mecanismes de reacció (Química)
Reaction mechanisms (Chemistry)
Peròxids -- Oxidació
Peroxides -- Oxidation
EPR detection of Fe(V)=O active species in nonheme iron-catalyzed oxidations
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
EPRdetection.pdf
EPRdetection.pdf
application/pdf
366138
https://dugi-doc.udg.edu/bitstream/10256/10176/1/EPRdetection.pdf
a9a07f0b140301ed395c53677ca97ae0
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/10176/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
EPRdetection.pdf.jpg
EPRdetection.pdf.jpg
Generated Thumbnail
image/jpeg
3168
https://dugi-doc.udg.edu/bitstream/10256/10176/3/EPRdetection.pdf.jpg
8896fcad831dd6dbe55cf3c228530a34
MD5
3
10256/10176
oai:dugi-doc.udg.edu:10256/10176
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/101772024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Cussó Forest, Olaf
Garcia Bosch, Isaac
Font Gimbernat, David
Ribas Salamaña, Xavi
Lloret Fillol, Julio
Costas Salgueiro, Miquel
European Research Council
Ministerio de Economía y Competitividad (Espanya)
Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
Ministerio de Ciencia e Innovación (Espanya)
2015-03-23T12:58:56Z
2015-03-23T12:58:56Z
2013
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
1523-7060
http://hdl.handle.net/10256/10177
http://dx.doi.org/10.1021/ol403018x
018974
1523-7052
Fast, efficient, and highly stereoselective epoxidation with H 2O2 is reached by manganese coordination complexes with e-rich aminopyridine tetradentate ligands. It is shown that the electronic properties of these catalysts vary systematically with the stereoselectivity of the O-atom transfer event and exert fine control over the activation of hydrogen peroxide, reducing the amount of carboxylic acid co-catalyst necessary for efficient operation
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2015-03-23T12:58:56Z
No. of bitstreams: 1
HighlyStereoselective.pdf: 273649 bytes, checksum: 9bd5cebb7524830d78b4afc86a0f2500 (MD5)
Made available in DSpace on 2015-03-23T12:58:56Z (GMT). No. of bitstreams: 1
HighlyStereoselective.pdf: 273649 bytes, checksum: 9bd5cebb7524830d78b4afc86a0f2500 (MD5)
Previous issue date: 2013
application/pdf
eng
American Chemical Society (ACS)
info:eu-repo/grantAgreement/MINECO//CTQ2012-37420-C02-01/ES/DISEÑO BIOINSPIRADO DE CATALIZADORES PARA LA OXIDACION DE ENLACES C-H, C=C Y AGUA/
MICINN/PN 2010-2016/CSD2010-00065
AGAUR/2009-2014/2009 SGR-637
Reproducció digital del document publicat a: http://dx.doi.org/10.1021/ol403018x
© Organic Letters, 2013, vol. 15, p. 6158-6161
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/239910/EU/Bio-inspired Design of Catalysts for Selective Oxidations of C-H and C=C Bonds/BIDECASEOX
FP7
-1
BIDECASEOX
-1
DISEÑO BIOINSPIRADO DE CATALIZADORES PARA LA OXIDACION DE ENLACES C-H, C=C Y AGUA
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Epòxids
Epoxy compounds
Compostos heterocíclics
Heterocyclic compounds
Catalitzadors
Catalysts
Highly stereoselective epoxidation with H2O2 catalyzed by electron-rich aminopyridine manganese catalysts
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
HighlyStereoselective.pdf
HighlyStereoselective.pdf
application/pdf
273649
https://dugi-doc.udg.edu/bitstream/10256/10177/1/HighlyStereoselective.pdf
9bd5cebb7524830d78b4afc86a0f2500
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/10177/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
HighlyStereoselective.pdf.jpg
HighlyStereoselective.pdf.jpg
Generated Thumbnail
image/jpeg
3340
https://dugi-doc.udg.edu/bitstream/10256/10177/3/HighlyStereoselective.pdf.jpg
709868cac6eb6660c6da879f4b3e3d65
MD5
3
10256/10177
oai:dugi-doc.udg.edu:10256/10177
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/101782024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Canta i Roldós, Mercè
Font Gimbernat, David
Gómez Martín, Laura
Ribas Salamaña, Xavi
Costas Salgueiro, Miquel
European Research Council
Ministerio de Economía y Competitividad (Espanya)
Ministerio de Ciencia e Innovación (Espanya)
2015-03-24T07:27:02Z
2015-03-24T07:27:02Z
2014
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
1615-4150
http://hdl.handle.net/10256/10178
http://dx.doi.org/10.1002/adsc.201300923
020429
1615-4169
The efficient and selective oxidation of secondary C-H sites of alkanes is achieved by using low catalyst loadings of a non-expensive, readily available iron catalyst [Fe(II)(CF3SO3)2(mcp)], {Fe-mcp, [mcp=N,N'-dimethyl-N,N'-bis(2-pyridylmethyl)cyclohexane-trans-1,2-diamine]}, and hydrogen peroxide (H2O2) as oxidant, via a simple reaction protocol. Natural products are selectively oxidized and isolated in synthetically amenable yields. The easy access to large quantities of the catalyst and the simplicity of the C-H oxidation procedure make this system a particularly convenient tool to carry out alkane C-H oxidation reactions on the preparative scale, and in short reaction times
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2015-03-24T07:27:02Z
No. of bitstreams: 1
Iron(II)Complex.pdf: 558306 bytes, checksum: d056625b3018a0d0e31552eb8a4b907e (MD5)
Made available in DSpace on 2015-03-24T07:27:02Z (GMT). No. of bitstreams: 1
Iron(II)Complex.pdf: 558306 bytes, checksum: d056625b3018a0d0e31552eb8a4b907e (MD5)
Previous issue date: 2014
We would like to thank European Research Foundation for Project ERC-2009-StG-239910, MICINN for projects CTQ2012-37420-C02-01/BQU and CSD2010-00065. Generalitat de Catalunya for an ICREA Academia Award (X. R. and M. C.) and PhD grant (M. Canta). X. R. thanks financial support from INNPLANTA project INP-2011-0059-PCT-420000-ACT1
application/pdf
eng
Wiley-VCH Verlag
info:eu-repo/grantAgreement/MINECO//CTQ2012-37420-C02-01/ES/DISEÑO BIOINSPIRADO DE CATALIZADORES PARA LA OXIDACION DE ENLACES C-H, C=C Y AGUA/
MICINN/PN 2010-2016/CSD2010-00065
MICINN/PN 2011/INP-2011-0059-PCT-420000
Reproducció digital del document publicat a: http://dx.doi.org/10.1002/adsc.201300923
© Advanced Synthesis and Catalysis, 2014, vol. 356, p. 818-830
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/239910/EU/Bio-inspired Design of Catalysts for Selective Oxidations of C-H and C=C Bonds/BIDECASEOX
FP7
-1
BIDECASEOX
-1
DISEÑO BIOINSPIRADO DE CATALIZADORES PARA LA OXIDACION DE ENLACES C-H, C=C Y AGUA
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Oxidació
Oxidation
Catàlisi
Catalysis
Aigua oxigenada
Hydrogen peroxide
Ferro
Iron
Productes naturals
Natural products
The iron (II) complex [Fe(CF3SO3)2(mcp)] as a convenient, readily available catalyst for the selective oxidation of methylenic sites in alkanes
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
Iron(II)Complex.pdf
Iron(II)Complex.pdf
application/pdf
558306
https://dugi-doc.udg.edu/bitstream/10256/10178/1/Iron%28II%29Complex.pdf
d056625b3018a0d0e31552eb8a4b907e
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/10178/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
Iron(II)Complex.pdf.jpg
Iron(II)Complex.pdf.jpg
Generated Thumbnail
image/jpeg
3184
https://dugi-doc.udg.edu/bitstream/10256/10178/3/Iron%28II%29Complex.pdf.jpg
84889d68c722fd7ce52b6e39c5f3fc9c
MD5
3
10256/10178
oai:dugi-doc.udg.edu:10256/10178
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
oai:dugi-doc.udg.edu:10256/101792024-02-21T12:48:09Zcom_10256_1531com_10256_2943col_10256_1551col_10256_8010col_10256_10899RC2openaire_dataRC1CIRAXRC4RC3driveropenaireMD2MD1recolecta
Gómez Martín, Laura
Canta i Roldós, Mercè
Font Gimbernat, David
Prat Casellas, Irene
Ribas Salamaña, Xavi
Costas Salgueiro, Miquel
Ministerio de Ciencia e Innovación (Espanya)
2015-03-24T07:50:20Z
2015-03-24T07:50:20Z
2013
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
0022-3263
http://hdl.handle.net/10256/10179
http://dx.doi.org/10.1021/jo302196q
018648
1520-6904
Selective oxidation of alkyl C-H groups constitutes one of the highest challenges in organic synthesis. In this work, we show that mononuclear iron coordination complexes Lambda-[Fe(CF3SO3)(2)((S,S,R)-MCPP)] (Lambda-1P), Delta-[Fe(CF3SO3)(2)((R,R,R)-MCPP)] (Delta-1P), Lambda-[Fe(CF3SO3)(2)((S,S,R)-BPBPP)] (Lambda-2P), and Delta-[Fe(CF3SO3)(2)((R,R,R)-BPBPP)] (Delta-2P) catalyze the fast, efficient, and selective oxidation of nonactivated alkyl C-H groups employing H2O2 as terminal oxidant. These complexes are based on tetradentate N-based ligands and contain iron centers embedded in highly structured coordination sites defined by two bulky 4,5-pinenopyridine donor ligands, a chiral diamine ligand backbone, and chirality at the metal (Lambda or Delta). X-ray diffraction analysis shows that in Lambda-1P and Lambda-2P the pinene rings create cavity-like structures that isolate the iron site. The efficiency and regioselectivity in catalytic C-H oxidation reactions of these structurally rich complexes has been compared with those of Lambda-[Fe(CF3SO3)(2)((S,S)-MCP)] (Lambda-1), Lambda-[Fe(CF3SO3)(2)((S,S)-BPBP)] (Lambda-2), Delta-[Fe(CF3SO3)(2)((R,R)-BPBP)] (Delta-2), Lambda-[Fe(CH3CN)(2)((S,S)-BPBP)] (SbF6)(2) (Lambda-2SbF(6)), and Delta-[Fe(CH3CN)(2)((R,R)-BPBP)](SbF6)(2) (Delta-2SbF(6)), which lack the steric bulk introduced by the pinene rings. Cavity-containing complexes Lambda-1P and Lambda-2P exhibit enhanced activity in comparison with Delta-1P, Delta-2P, Lambda-1, Lambda-2, and Lambda-2SbF(6). The regioselectivity exhibited by catalysts Lambda-1P, Lambda-2P, Delta-1P, and Delta-2P in the C-H oxidation of simple organic molecules can be predicted on the basis of the innate properties of the distinct C-H groups of the substrate. However, in specific complex organic molecules where oxidation of multiple C-H sites is competitive, the highly elaborate structure of the catalysts allows modulation of C-H regioselectivity between the oxidation of tertiary and secondary C-H groups and also among multiple methylene sites, providing oxidation products in synthetically valuable yields. These selectivities complement those accomplished with structurally simpler oxidants, including non-heme iron catalysts Lambda-2 and Lambda-2SbF(6)
Submitted by Claudia Plana (claudia.plana@udg.edu) on 2015-03-24T07:50:20Z
No. of bitstreams: 1
RegioselectiveOxidation.pdf: 761363 bytes, checksum: 515a8c76295f1d13ff683c55ceb9482a (MD5)
Made available in DSpace on 2015-03-24T07:50:20Z (GMT). No. of bitstreams: 1
RegioselectiveOxidation.pdf: 761363 bytes, checksum: 515a8c76295f1d13ff683c55ceb9482a (MD5)
Previous issue date: 2013
We thank the European Research Foundation for Starting Grant Project ERC-2009-StG-239910, MICINN for project CTQ2009-08464 and a Ph.D. grant (I.P.), and the Generalitat de Catalunya for a Ph.D. grant (M. Canta). X.R. thanks financial support from INNPLANTA project INP-2011-0059-PCT-420000-ACT1. M.C. and X.R. thank ICREA Academia Awards
application/pdf
eng
American Chemical Society (ACS)
MICINN/PN 2010-2012/CTQ2009-08464
MICINN/PN 2011/INP-2011-0059-PCT-420000
Reproducció digital del document publicat a: http://dx.doi.org/ 10.1021/jo302196q
© Journal of Organic Chemistry, 2013, vol. 78, p. 1421-1433
Articles publicats (D-Q)
info:eu-repo/grantAgreement/EC/FP7/239910/EU/Bio-inspired Design of Catalysts for Selective Oxidations of C-H and C=C Bonds/BIDECASEOX
FP7
BIDECASEOX
Tots els drets reservats
info:eu-repo/semantics/embargoedAccess
Oxidació
Oxidation
Catàlisi
Catalysis
Aigua oxigenada
Hydrogen peroxide
Ferro
Iron
Regioselective oxidation of nonactivated alkyl C-H groups using highly structured non-heme iron catalysts
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Cap
NO
ORIGINAL
RegioselectiveOxidation.pdf
RegioselectiveOxidation.pdf
application/pdf
761363
https://dugi-doc.udg.edu/bitstream/10256/10179/1/RegioselectiveOxidation.pdf
515a8c76295f1d13ff683c55ceb9482a
MD5
1
LICENSE
license.txt
license.txt
text/plain
1079
https://dugi-doc.udg.edu/bitstream/10256/10179/2/license.txt
0d4b4c458d95d1eb4b29247ea5bd4e04
MD5
2
THUMBNAIL
RegioselectiveOxidation.pdf.jpg
RegioselectiveOxidation.pdf.jpg
Generated Thumbnail
image/jpeg
3635
https://dugi-doc.udg.edu/bitstream/10256/10179/3/RegioselectiveOxidation.pdf.jpg
19ea4db845ae3d23d6a7c34b9a4c9c74
MD5
3
10256/10179
oai:dugi-doc.udg.edu:10256/10179
2024-02-21 13:48:09.226
DUGiDocs
oriol.olive@udg.edu
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
xoai///col_10256_10899/100