کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
2484887 | 1114339 | 2012 | 12 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Calorimetric, FTIR and 1H NMR measurements in combination with DFT calculations for monitoring solidâstate changes of dynamics of sibutramine hydrochloride
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کلمات کلیدی
موضوعات مرتبط
علوم پزشکی و سلامت
داروسازی، سم شناسی و علوم دارویی
اکتشاف دارویی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Calorimetric, FTIR and 1H NMR measurements in combination with DFT calculations for monitoring solidâstate changes of dynamics of sibutramine hydrochloride Calorimetric, FTIR and 1H NMR measurements in combination with DFT calculations for monitoring solidâstate changes of dynamics of sibutramine hydrochloride](/preview/png/2484887.png)
چکیده انگلیسی
Two forms of sibutramine hydrochloride, monohydrate and anhydrous, have been investigated by calorimetric methods, Fourier transform infrared (FTIR) absorption and 1H nuclear magnetic resonance (NMR) measurements as well as by density functional theory (DFT) of vibrational frequencies and infrared intensities, calculations of steric hindrances and Monte Carlo simulations. The results of FTIR spectra combined with DFT calculations permitted identification of the bands corresponding to the dynamics and vibrations of water molecules. NMR study and Monte Carlo simulations revealed the occurrence of reorientation jumps of the methyl groups in sibutramine cation and also revealed that the reorientation of isopropyl group is possible only in sibutramine monohydrate hydrochloride. The hydration of sibutramine hydrochloride causes a change in the conformation of sibutramine cation.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Pharmaceutical Sciences - Volume 101, Issue 10, October 2012, Pages 3799-3810
Journal: Journal of Pharmaceutical Sciences - Volume 101, Issue 10, October 2012, Pages 3799-3810
نویسندگان
Aleksandra Pajzderska, Dorota M. Chudoba, Jadwiga Mielcarek, Jan WÄ
sicki,