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The triplet excited state of the biocative compound thiabendazole. Characterization and suitability as reporter for cyclodextrin complexation

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The triplet excited state of the biocative compound thiabendazole. Characterization and suitability as reporter for cyclodextrin complexation

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dc.contributor.author BARTOVSKY, PAVEL es_ES
dc.contributor.author Domingo, Luis R. es_ES
dc.contributor.author Jornet Olivé, Maria Dolors es_ES
dc.contributor.author Miranda Alonso, Miguel Ángel es_ES
dc.contributor.author Tormos Faus, Rosa Esperanza es_ES
dc.date.accessioned 2015-04-22T07:35:53Z
dc.date.available 2015-04-22T07:35:53Z
dc.date.issued 2012-02-16
dc.identifier.issn 0009-2614
dc.identifier.uri http://hdl.handle.net/10251/49098
dc.description.abstract Fluorescence spectroscopy, laser flash photolysis (LPF), and density functional theory calculations have been performed to characterize the photobehavior of thiabendazole (1). Direct LFP of 1 results in the generation of a transient absorbing at λmax = 570 nm identified as the triplet excited state (31∗). The intersystem crossing quantum yield is 0.91, and the triplet energy is 288 kJ mol−1. The singlet–triplet energy gap is 84 kJ mol−1. The behavior of thiabendazole within CDs results in a marked enhancement of the triplet lifetime, this change is attributed to the mobility restrictions of included 1 imposed by the cyclodextrin cavities. es_ES
dc.description.sponsorship Financial support from the MICINN (Grants: CTQ2009-11027/BQU, CTQ2010-19909 and pre-doctoral fellowship to P.B.) and the Generalitat Valenciana (Prometeo Program) is gratefully acknowledged. en_EN
dc.language Inglés es_ES
dc.publisher Elsevier es_ES
dc.relation.ispartof Chemical Physics Letters es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject Polarizable continuum model es_ES
dc.subject Beta-Cyclodextrin es_ES
dc.subject Human-Serum es_ES
dc.subject Benzimidazole es_ES
dc.subject Density es_ES
dc.subject Solvent es_ES
dc.subject Approximation es_ES
dc.subject Optimization es_ES
dc.subject Transition es_ES
dc.subject Proteins es_ES
dc.subject.classification QUIMICA ORGANICA es_ES
dc.title The triplet excited state of the biocative compound thiabendazole. Characterization and suitability as reporter for cyclodextrin complexation es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1016/j.cplett.2012.01.001
dc.relation.projectID info:eu-repo/grantAgreement/MICINN//CTQ2009-11027/ES/Estudios de reactividad en química orgánica/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MICINN//CTQ2010-19909/ES/MECANISMOS IMPLICADOS EN LA FOTO-REACTIVIDAD ENTRE FARMACOS CON PROPIEDADES ANTINEOPLASICAS Y SUS BIOMOLECULAS DIANA/ es_ES
dc.rights.accessRights Abierto es_ES
dc.contributor.affiliation Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Química - Departament de Química es_ES
dc.description.bibliographicCitation Bartovsky, P.; Domingo, LR.; Jornet Olivé, MD.; Miranda Alonso, MÁ.; Tormos Faus, RE. (2012). The triplet excited state of the biocative compound thiabendazole. Characterization and suitability as reporter for cyclodextrin complexation. Chemical Physics Letters. 525-526:166-170. https://doi.org/10.1016/j.cplett.2012.01.001 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion http://dx.doi.org/10.1016/j.cplett.2012.01.001 es_ES
dc.description.upvformatpinicio 166 es_ES
dc.description.upvformatpfin 170 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 525-526 es_ES
dc.relation.senia 211119
dc.contributor.funder Ministerio de Ciencia e Innovación es_ES
dc.contributor.funder Generalitat Valenciana es_ES


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