Theoretical calculations on conformations of bile-acid based dimers. Interactions with ibuprofen

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dc.contributor.affiliationUniversidade de Santiago de Compostela. Departamento de Química Físicagl
dc.contributor.authorAntelo Queijo, Álvaro
dc.contributor.authorÁlvarez Alcalde, María de las Mercedes
dc.contributor.authorJover Ramos, Aida
dc.contributor.authorMeijide del Río, Francisco Ángel
dc.contributor.authorVázquez Tato, José
dc.date.accessioned2021-08-19T07:29:55Z
dc.date.available2021-08-19T07:29:55Z
dc.date.issued2009
dc.descriptionThe 13th International Electronic Conference on Synthetic Organic Chemistry session Polymer and Supramolecular Chemistrygl
dc.description.abstractAn AM1 semiempirical method (Gaussian 03) was used to perform molecular structure optimizations in gas phase of two tail-to-tail bile acid-based dimers by an isophthalic acid bridge. The method was also used to study the interactions with the potential guest ibuprofen with the idea of applicative resultsgl
dc.description.sponsorshipAuthors thank the Ministerio de Ciencia y Tecnología (Project MAT2004-04606) and the Xunta de Galicia (PGIDIT05PXIC26201PN) for financial supportgl
dc.identifier.citationVázquez Tato, J.; Meijide, F.; Jover, A.; Álvarez Alcalde, M.; Antelo, Á. Theoretical calculations on conformations of bile-acid based dimers. Interactions with ibuprofen, in Proceedings of the 13th International Electronic Conference on Synthetic Organic Chemistry, 1–30 November 2009, MDPI: Basel, Switzerland, doi:10.3390/ecsoc-13-00257gl
dc.identifier.doi10.3390/ecsoc-13-00257
dc.identifier.isbn3-906980-23-5
dc.identifier.urihttp://hdl.handle.net/10347/26861
dc.language.isoenggl
dc.publisherMDPIgl
dc.relation.ispartofseriesElectronic Conference on Synthetic Organic Chemistry;13
dc.relation.projectIDinfo:eu-repo/grantAgreement/MEC/Plan Nacional de I+D+i 2004-2007/MAT2004-04606/ESgl
dc.relation.publisherversionhttps://doi.org/10.3390/ecsoc-13-00257gl
dc.rights© 2009 The author(s). Published by MDPI, Basel, Switzerland. Open Accessgl
dc.rights.accessRightsopen accessgl
dc.titleTheoretical calculations on conformations of bile-acid based dimers. Interactions with ibuprofengl
dc.typebook partgl
dspace.entity.typePublication
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relation.isAuthorOfPublicationb8762842-f2c1-4e17-9c74-bc63e2c87ef1
relation.isAuthorOfPublication9d4dce74-ef7a-4034-8bba-a512e94133ef
relation.isAuthorOfPublication.latestForDiscovery4fca9fe8-5893-4006-8a8b-31928d178951

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