Exploring EPR parameters of 99Tc complexes for designing new MRI probes: coordination environment, solvent, and thermal effects on the spectroscopic properties

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dc.creatorPereira, Bruna T. L.
dc.creatorSilva, Érika Ferreira
dc.creatorGonçalves, Mateus A.
dc.creatorMancini, Daiana T.
dc.creatorRamalho, Teodorico C.
dc.date.accessioned2018-07-13T13:46:42Z
dc.date.available2018-07-13T13:46:42Z
dc.date.issued2017
dc.description.abstractWe have evaluated the solvent and thermal effects on spectroscopic parameters of 99Tc complexes coordinated to explicit water molecules. Molecular dynamics simulations were performed followed by hyperfine coupling constant calculations (). Our results show a significant increase of , which demonstrates that the studied compounds can be promising contrast agents in MRI.pt_BR
dc.identifier.citationPERIRA, B. T. L. et al. Exploring EPR parameters of 99Tc complexes for designing new MRI probes: coordination environment, solvent, and thermal effects on the spectroscopic properties. Journal of Chemistry, [S. l.], v. 2017, p. 1-8, 2017. doi: https://doi.org/10.1155/2017/8102812.pt_BR
dc.identifier.urihttps://repositorio.ufla.br/handle/1/29638
dc.languageen_USpt_BR
dc.publisherHindawipt_BR
dc.rightsacesso abertopt_BR
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/*
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.sourceJournal of Chemistrypt_BR
dc.subjectMolecular dynamicspt_BR
dc.subjectEPR Parameterspt_BR
dc.subjectSpectroscopic propertiespt_BR
dc.subjectDinâmica molecularpt_BR
dc.subjectParâmetros EPRpt_BR
dc.subjectPropriedades espectroscópicaspt_BR
dc.titleExploring EPR parameters of 99Tc complexes for designing new MRI probes: coordination environment, solvent, and thermal effects on the spectroscopic propertiespt_BR
dc.typeArtigopt_BR

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