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Please use this identifier to cite or link to this item: http://acervodigital.unesp.br/handle/11449/117061
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dc.contributor.authorPrado, Vania Mendes do-
dc.contributor.authorSeiceira, Rafael Cardoso-
dc.contributor.authorPitaluga, Altivo-
dc.contributor.authorAndrade-Filho, Tarciso-
dc.contributor.authorAlves, Wendel Andrade-
dc.contributor.authorRocha, Alexandre Reily-
dc.contributor.authorFerreira, Fabio Furlan-
dc.date.accessioned2015-03-18T15:55:03Z-
dc.date.accessioned2016-10-25T20:32:42Z-
dc.date.available2015-03-18T15:55:03Z-
dc.date.available2016-10-25T20:32:42Z-
dc.date.issued2014-08-01-
dc.identifierhttp://dx.doi.org/10.1107/S160057671401303X-
dc.identifier.citationJournal Of Applied Crystallography. Hoboken: Wiley-blackwell, v. 47, p. 1380-1386, 2014.-
dc.identifier.issn0021-8898-
dc.identifier.urihttp://hdl.handle.net/11449/117061-
dc.identifier.urihttp://acervodigital.unesp.br/handle/11449/117061-
dc.description.abstractAlbeit widely studied, the structure of the antimalarial drug (+/-)-mefloquine hydrochloride is still a controversial issue. A combination of X-ray powder diffraction, theoretical calculations and Fourier transform-infrared spectroscopy is used to unambiguously determine the crystal structure of the molecule in its active pharmaceutical ingredient. It is demonstrated that water is incorporated into the structure, leading to a hydrated form and, most importantly, to significant differences in both structure and bonding. Such changes can lead to significant differences in biological activity. (C) 2014 International Union of Crystallographyen
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)-
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)-
dc.description.sponsorshipCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)-
dc.description.sponsorshipPrograma Integrado de Apoio ao Ensino, Pesquisa e Extensao (PROINT)-
dc.description.sponsorshipHPC center at UFABC University-
dc.description.sponsorshipPPG-Nano-UFABC-
dc.format.extent1380-1386-
dc.language.isoeng-
dc.publisherWiley-Blackwell-
dc.sourceWeb of Science-
dc.titleElucidating the crystal structure of the antimalarial drug (+/-)-mefloquine hydrochloride: a tetragonal hydrated speciesen
dc.typeoutro-
dc.contributor.institutionUniversidade Federal do ABC (UFABC)-
dc.contributor.institutionCoordenacao Desenvolvimento Tecnol Fundacao Oswal-
dc.contributor.institutionUniversidade Federal do Pará (UFPA)-
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)-
dc.description.affiliationUniv Fed Abc, CCNH, BR-09210580 Santo Andre, SP, Brazil-
dc.description.affiliationCoordenacao Desenvolvimento Tecnol Fundacao Oswal, Lab Estudos Estado Solido, BR-22775903 Rio De Janeiro, RJ, Brazil-
dc.description.affiliationUniv Fed Para UFPA, Fac Fis, BR-68501970 Maraba, PA, Brazil-
dc.description.affiliationUniv Estadual Paulista UNESP, IFT, BR-01140070 Sao Paulo, Brazil-
dc.description.affiliationUnespUniv Estadual Paulista UNESP, IFT, BR-01140070 Sao Paulo, Brazil-
dc.description.sponsorshipIdFAPESP: 08/10537-3-
dc.description.sponsorshipIdFAPESP: 08/53576-9-
dc.description.sponsorshipIdFAPESP: 09/15129-3-
dc.description.sponsorshipIdFAPESP: 13/02112-0-
dc.description.sponsorshipIdCNPq: 477296/2011-4-
dc.description.sponsorshipIdCNPq: 305186/2012-4-
dc.description.sponsorshipIdCNPq: 130522/2011-2-
dc.description.sponsorshipIdCNPq: 472197/2012-6-
dc.description.sponsorshipIdPrograma Integrado de Apoio ao Ensino, Pesquisa e Extensao (PROINT)128001208048-
dc.identifier.doi10.1107/S160057671401303X-
dc.identifier.wosWOS:000340362000025-
dc.rights.accessRightsAcesso restrito-
dc.relation.ispartofJournal Of Applied Crystallography-
dc.identifier.orcid0000-0001-8874-6947pt
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