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|Type:||Artigo de periódico|
|Title:||Inclusion Complexes Of Pyrimethamine In 2-hydroxypropyl-β-cyclodextrin: Characterization, Phase Solubility And Molecular Modelling|
|Author:||de Araujo M.V.G.|
de Souza Conegero L.
da Costa Jr. N.B.
|Abstract:||The inclusion complexation of pyrimethamine in 2-hydroxypropyl-β-cyclodextrin has been investigated by 2D 1H 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-β-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-β-cyclodextrin cavity has been proposed from the theoretical calculations, being confirmed by two-dimensional 1H NMR spectroscopy (ROESY). The thermal behaviour has also been studied, providing complementary evidences of complex formation. © 2007 Elsevier Ltd. All rights reserved.|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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