Please use this identifier to cite or link to this item: http://hdl.handle.net/10316/45112
DC FieldValueLanguage
dc.contributor.authorGarrido, E. Manuela-
dc.contributor.authorGarrido, Jorge-
dc.contributor.authorCalheiros, Rita-
dc.contributor.authorMarques, M. Paula M.-
dc.contributor.authorBorges, Fernanda-
dc.date.accessioned2017-12-15T18:07:15Z-
dc.date.available2017-12-15T18:07:15Z-
dc.date.issued2009-
dc.identifier.urihttp://hdl.handle.net/10316/45112-
dc.description.abstractThe extent to which humans and wildlife are exposed to the vast array of anthropogenic chemicals and their degradation products, along with related naturally occurring compounds, is nowadays an important issue. The study of the physical-chemical properties of the compounds and/or degradation products is an important subject because some of them are intrinsically related to its resistance to degradation and/or bioaccumulation. Accordingly, the study of the electrochemical behavior of the selective serotonin reuptake inhibitor fluoxetine and its main metabolite norfluoxetine was investigated. The identification of the oxidation processes was done via two fluoxetine analogues, 1-(benzyloxy)-4-(trifluoromethyl)benzene and N-methyl-3-phenylpropan-1-amine hydrochloride. The oxidative processes occurring in fluoxetine are pH-dependent and were ascribed to the chemical moieties present in the molecule: the secondary amine group and the substituted aromatic nucleus. To perform an unequivocal ascription, the structural preferences of the drug and metabolite were also determined, by Raman spectroscopy coupled to quantum mechanical calculations (at the DFT level). The analytical data obtained in this work will allow the development of a rapid and unequivocal spectroscopic procedure suitable for fluoxetine identification, as well as to distinguish between the drug and its main metabolite.por
dc.language.isoengpor
dc.rightsopenAccesspor
dc.subjectAntidepressive Agentspor
dc.subjectElectrochemistrypor
dc.subjectFluoxetinepor
dc.subjectHydrogen-Ion Concentrationpor
dc.subjectModels, Molecularpor
dc.subjectMolecular Conformationpor
dc.subjectOxidation-Reductionpor
dc.subjectQuantum Theorypor
dc.subjectSpectrum Analysis, Ramanpor
dc.titleFluoxetine and Norfluoxetine Revisited: New Insights into the Electrochemical and Spectroscopic Propertiespor
dc.typearticle-
degois.publication.firstPage9934por
degois.publication.lastPage9944por
degois.publication.issue36por
degois.publication.titleThe Journal of Physical Chemistry Apor
dc.peerreviewedyespor
dc.identifier.doi10.1021/jp904306b-
dc.identifier.doi10.1021/jp904306bpor
degois.publication.volume113por
item.languageiso639-1en-
item.fulltextCom Texto completo-
item.grantfulltextopen-
crisitem.author.deptFaculty of Sciences and Technology-
crisitem.author.parentdeptUniversity of Coimbra-
crisitem.author.researchunitQFM-UC – Molecular Physical-Chemistry R&D Unit-
crisitem.author.orcid0000-0001-8981-231X-
crisitem.author.orcid0000-0002-8391-0055-
Appears in Collections:FCTUC Ciências da Vida - Artigos em Revistas Internacionais
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