Electroactive polymers for the detection of morphine
dc.contributor.author
dc.date.accessioned
2015-10-28T11:18:30Z
dc.date.available
2015-10-28T11:18:30Z
dc.date.issued
2014
dc.identifier.issn
1022-9760
dc.identifier.uri
dc.description.abstract
The interaction between morphine (MO), a very potent analgesic psychoactive drug, and five electroactive polymers, poly(3,4-ethylenedioxythiophene) (PEDOT), poly(3-methylthiophene) (P3MT), polypyrrole (PPy), poly(N-methylpyrrole (PNMPy) and poly[N-(2-cyanoethyl)pyrrole] (PNCPy), has been examined using theoretical calculations on model complexes and voltammetric measures considering different pHs and incubation times. Quantum mechanical calculations in model polymers predict that the strength of the binding between the different polymers and morphine increases as follows: PEDOT < PNMPy < Py < < P3MT a parts per thousand PNCPy. The most relevant characteristic of P3MT is its ability to interact with morphine exclusively through non-directional interactions. On the other hand, the variations of the electroactivity and the anodic current at the reversal potential evidence that the voltammetric response towards the presence of MO is considerably higher for P3MT and PNCPy than that for the other polymers at both acid (P3MT > PNMPy) and neutral (P3MT a parts per thousand PNCPy) pHs. Energy decomposition analyses of the interaction of MO with different model polymers indicate that the stronger affinity of MO for P3MT and PNCPy as compared to PEDOT, PNMPy, and PPy is due to more favorable orbital interactions. These more stabilizing orbital interactions are the result of the larger charge transfer from MO to P3MT and PNCPy model polymers that takes place because of the higher stability of the single occupied molecular orbital (SOMO) of these model polymers. Therefore, to design polymers with a large capacity to detect MO we suggest looking at polymers with high electron affinity
dc.description.sponsorship
This work has been supported by MICINN and FEDER funds (project numbers MAT2012-34498, CTQ2011-23156/BQU and CTQ2011-25086/BQU), by the DIUE of the Generalitat de Catalunya (contracts numbers 2009SGR925, 2009SGR528, 2009SGR637 and XRQTC) and Catedra Applus (UPC). E. C.-M. and B. T. D. are thanked to the MICINN by their FPI grants. Support for the research of C. A. and M. S. was received through the prize "ICREA Academia" for excellence in research funded by the Generalitat de Catalunya
dc.format.mimetype
application/pdf
dc.language.iso
eng
dc.publisher
Springer Verlag
dc.relation
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
dc.relation.isformatof
Reproducció digital del document publicat a: http://dx.doi.org/10.1007/s10965-014-0565-6
dc.relation.ispartof
© Journal of Polymer Research, 2014, vol. 21, núm. 10. p. 565
dc.relation.ispartofseries
Articles publicats (D-Q)
dc.rights
Tots els drets reservats
dc.title
Electroactive polymers for the detection of morphine
dc.type
info:eu-repo/semantics/article
dc.rights.accessRights
info:eu-repo/semantics/embargoedAccess
dc.embargo.terms
Cap
dc.date.embargoEndDate
info:eu-repo/date/embargoEnd/2026-01-01
dc.type.version
info:eu-repo/semantics/publishedVersion
dc.identifier.doi
dc.identifier.idgrec
021794
dc.contributor.funder
dc.relation.ProjectAcronym
dc.identifier.eissn
1572-8935