EFFECT OF TEMPERATURE AND GLYCEROL ON THE HYDROGEN-BOND DYNAMICS OF WATER

被引：0
|
作者：
GhattyVenkataKrishna, Pavan K. [1 ]
Uberbacher, Edward C. [1 ]
机构：
[1] Oak Ridge Natl Lab, Computat Biol & Bioinformat Grp, Oak Ridge, TN 37830 USA
来源：
CRYOLETTERS | 2013年 / 34卷 / 02期
关键词：
hydrogen bonds; relaxation time; glycerol-water; bio-protective solvents; MOLECULAR-DYNAMICS; DIMETHYL-SULFOXIDE; NONAQUEOUS MIXTURES; AQUEOUS-SOLUTIONS; DIPOLAR LIQUIDS; SIMULATIONS; CRYSTALLIZATION; ACETONITRILE; SPECTROSCOPY; TREHALOSE;
D O I：
暂无
中图分类号：
Q [生物科学];
学科分类号：
07 ; 0710 ; 09 ;
摘要：
The effect of glycerol, water and glycerol-water binary mixtures on the structure and dynamics of biomolecules has been well studied. However, a lot remains to be learned about the effect of varying glycerol concentration and temperature on the dynamics of water. We have studied the effect of concentration and temperature on the hydrogen bonded network formed by water molecules. A strong correlation between the relaxation time of the network and average number of hydrogen bonds per water molecules was found. The radial distribution function of water oxygen and hydrogen atoms clarifies the effect of concentration on the structure and clustering of water.
引用
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页码：166 / 173
页数：8
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