Ion-selective interactions of biologically relevant inorganic ions with alanine zwitterion: a 3D-RISM study

被引：23
|
作者：
Fedotova, Marina V. [1 ]
Dmitrieva, Olga A. [1 ]
机构：
[1] Russian Acad Sci, GA Krestov Inst Solut Chem, Ivanovo 153045, Russia
来源：
AMINO ACIDS | 2015年 / 47卷 / 05期
基金：
俄罗斯基础研究基金会;
关键词：
Amino acid; Aqueous electrolyte solution; Ion-binding; 3D-RISM integral equation method; X-RAY-DIFFRACTION; AQUEOUS-SOLUTIONS; EFFICIENT GENERATION; HYDRATION STRUCTURE; HOFMEISTER SERIES; AM1-BCC MODEL; MEAN FORCE; WATER; ACID; SITE;
D O I：
10.1007/s00726-015-1930-4
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
The ion-molecular association between inorganic ions and the charged groups of alanine zwitterion in biologically relevant aqueous salt solutions, namely NaCl(aq), KCl(aq), MgCl2(aq), and CaCl2(aq), has been investigated over a wide range of electrolyte concentration. The influence of salt concentration on the stability of the formed ion-molecular associates is analyzed. The structure of the formed aggregates and its dependence on salt concentration and chemical nature of the inorganic ion are discussed.
引用
收藏
页码：1015 / 1023
页数：9
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