کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
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1364098 | 981529 | 2007 | 8 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Inclusion complexes of pyrimethamine in 2-hydroxypropyl-β-cyclodextrin: Characterization, phase solubility and molecular modelling Inclusion complexes of pyrimethamine in 2-hydroxypropyl-β-cyclodextrin: Characterization, phase solubility and molecular modelling](/preview/png/1364098.png)
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.
A 1:1 inclusion complex of pyrimethamine with hydroxypropyl β-cyclodextrin was prepared, characterized and modelled by AM1 method. Phase solubility and stoichiometry of the system were carried out by standard methods.Figure optionsDownload as PowerPoint slide
Journal: Bioorganic & Medicinal Chemistry - Volume 15, Issue 17, 1 September 2007, Pages 5752–5759