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Type: Artigo de periódico
Title: Inclusion complexes of pyrimethamine in 2-hydroxypropyl-beta-cyclodextrin: Characterization, phase solubility and molecular modelling
Author: de Araujo, MV
Vieira, EK
Lazaro, S
Conegero, LDS
Ferreira, OP
Almeida, LE
Barreto, LS
Costa, NB
Gimenez, IF
Abstract: The inclusion complexation of pyrimethamine in 2-hydroxypropyl-beta-cyclodextrin has been investigated by 2D H-1 NMR, FTIR and UV/visible spectroscopy and also by molecular modelling methods (AM1, PM3, MM3). From the phase-solubility diagram a linear increase was observed in pyrimethamine aqueous solubility in the presence of 2-hydroxypropyl-beta-cyclodextrin, evidencing the formation of a soluble inclusion complex. According to the continuous variation method (Job's plot) applied to fluorescence measurements, a 1:1 stoichiometry has been proposed for the complex. Concerning the structure of the complex, a Cl-in orientation of pyrimethamine in the 2-hydroxypropyl-o-cyclodextrin cavity has been proposed from the theoretical calculations, being confirmed by two-dimensional H-1 NMR spectroscopy (ROESY). The thermal behaviour has also been studied, providing complementary evidences of complex formation. (c) 2007 Elsevier Ltd. All rights reserved.
Subject: 2-hydroxypropyl-beta-cyclodextrin
Country: Inglaterra
Editor: Pergamon-elsevier Science Ltd
Citation: Bioorganic & Medicinal Chemistry. Pergamon-elsevier Science Ltd, v. 15, n. 17, n. 5752, n. 5759, 2007.
Rights: fechado
Identifier DOI: 10.1016/j.bmc.2007.06.013
Date Issue: 2007
Appears in Collections:Unicamp - Artigos e Outros Documentos

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