کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5390605 | 1505171 | 2006 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A molecular dynamics study of sodium chenodeoxycholate in an aqueous solution
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Hydration structure and dynamics of sodium chenodeoxycholate (CDC) in water are studied by a long-time molecular dynamics calculation. Strong hydration shell around the hydrophobic region of this large solute and strong hydrogen bonds of water with both hydroxyl and carboxyl oxygen atoms have been identified. The rotation of CDC around its longitudinal axis is found to be particularly active in comparison with that around other axes of the molecule. The diffusion coefficient of CDC calculated from the slope of the mean-square displacement, 0.95Â ÃÂ 10â9Â m2/s, is only 1/6 of that for water in the solution, 5.4Â ÃÂ 10â9Â m2/s.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volume 420, Issues 4â6, 21 March 2006, Pages 489-492
Journal: Chemical Physics Letters - Volume 420, Issues 4â6, 21 March 2006, Pages 489-492
نویسندگان
Toshio Nakashima, Kensuke Iwahashi, Susumu Okazaki,