کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
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1387621 | 1500853 | 2014 | 7 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Complex and mixture of β-cyclodextrin with diazepam characterised by 1H NMR and atom–atom potential methods Complex and mixture of β-cyclodextrin with diazepam characterised by 1H NMR and atom–atom potential methods](/preview/png/1387621.png)
• Combined use of solid-state 1H NMR spectroscopy and atom–atom potential methods.
• The magnetisation recovery indicated a formation of diazepam–cyclodextrin complex.
• Activation energy for motion of CH3 in diazepam did not change in inclusion complex.
• The phenyl ring of diazepam is located inside the β-cyclodextrin cavity.
Inclusion complex of β-cyclodextrin with diazepam and a physical mixture of these components were studied by solid-state 1H NMR. The activation barrier for reorientation of the methyl group in the diazepam molecule was found not changed by complex formation with β-cyclodextrin. The complex formation resulted in a decrease in the number of water molecules and affected the relaxation time of β-cyclodextrin. By the atom–atom potential method the most probable configuration of the diazepam molecule inside β-cyclodextrin cavity was proposed.
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Journal: Carbohydrate Research - Volume 398, 29 October 2014, Pages 56–62