A flexible self-folding receptor for coronene
dc.contributor.author
dc.date.accessioned
2020-06-17T07:28:13Z
dc.date.available
2020-06-17T07:28:13Z
dc.date.issued
2019-09-23
dc.identifier.issn
2041-6520
dc.identifier.uri
dc.description.abstract
We report a conformationally flexible deep cavitand receptor based on calix[5]arene and stabilized by a cooperative network of hydrogen bonds. The receptor binds coronene selectively over smaller polycyclic aromatic hydrocarbons, but is flexible enough to adapt to a smaller guest that presents a complementary electron deficient surface. The unique dynamic properties of this system have been thoroughly studied by NMR spectroscopy and molecular dynamics (MD) simulations
dc.description.sponsorship
We are grateful for nancial support from the Spanish government (“Ramón y Cajal” contract RYC2012-11112 and grant CTQ2017-83587-P to A. L.), and the Generalitat de Catalunya
(project 2017-SGR-39). We thank the Spanish Supercomputing Network (RES) for access to supercomputing resources (projects QCM-2018-3-0036 and QCM-2019-1-0022)
dc.format.mimetype
application/pdf
dc.language.iso
eng
dc.publisher
Royal Society of Chemistry (RSC)
dc.relation
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2017-83587-P/ES/CATALISIS BIOMIMETICA DE CICLACIONES CARBOCATIONICAS CON RECEPTORES SINTETICOS/
dc.relation.isformatof
Reproducció digital del document publicat a: https://doi.org/10.1039/C9SC03158H
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Chemical Science, 2019,vol. 10, p.10351-10355
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Articles publicats (D-Q)
dc.rights
Attribution-NonCommercial 4.0 International
dc.rights.uri
dc.subject
dc.title
A flexible self-folding receptor for coronene
dc.type
info:eu-repo/semantics/article
dc.rights.accessRights
info:eu-repo/semantics/openAccess
dc.type.version
info:eu-repo/semantics/publishedVersion
dc.identifier.doi
dc.identifier.idgrec
030375
dc.contributor.funder
dc.type.peerreviewed
peer-reviewed
dc.relation.FundingProgramme
dc.relation.ProjectAcronym
dc.identifier.eissn
2041-6539