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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|
|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.|
|Editor:||Pergamon-elsevier Science Ltd|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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