Comparisons of Criteria for Analyzing the Dynamical Association of Solutes in Aqueous Solutions
Zhao, L; Tu, YS; Wang, CL; Fang, HP; Tu, YS (reprint author), Yangzhou Univ, Coll Phys Sci & Technol, Yangzhou 225009, Jiangsu, Peoples R China.
2016
发表期刊CHINESE PHYSICS LETTERS
ISSN0256-307X
卷号33期号:3页码:
文章类型期刊文献
摘要How to determine accurately the association states of solutes in aqueous systems is of fundamental importance in a variety of chemical, physical, and biological processes. We apply four widely used criteria to analyze the dynamic association processes of solutes, e.g., amphiphilic molecules, and to find the inappropriate selections of representative sites on solutes in these criteria may bring about appreciable influence on the estimation of dynamic association behaviors such as unrealistic packing radii and even misleading packing structures. It would be better to select dynamically representative sites on solute molecules based on the characteristic of solute associations. Our detailed discussions give a guide on how to determine an appropriate criterion to accurately analyze the association behaviors of solute molecules in aqueous solutions.
关键词Molecular-dynamics Aggregation Nanoparticles Simulation Protein Kinetics Challenges Nucleation Dispersion Particles
DOI10.1088/0256-307X/33/3/038201
收录类别SCI
语种英语
WOS记录号WOS:000374647900031
引用统计
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/25666
专题中科院上海应用物理研究所2011-2018年
通讯作者Tu, YS (reprint author), Yangzhou Univ, Coll Phys Sci & Technol, Yangzhou 225009, Jiangsu, Peoples R China.
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GB/T 7714
Zhao, L,Tu, YS,Wang, CL,et al. Comparisons of Criteria for Analyzing the Dynamical Association of Solutes in Aqueous Solutions[J]. CHINESE PHYSICS LETTERS,2016,33(3):—.
APA Zhao, L,Tu, YS,Wang, CL,Fang, HP,&Tu, YS .(2016).Comparisons of Criteria for Analyzing the Dynamical Association of Solutes in Aqueous Solutions.CHINESE PHYSICS LETTERS,33(3),—.
MLA Zhao, L,et al."Comparisons of Criteria for Analyzing the Dynamical Association of Solutes in Aqueous Solutions".CHINESE PHYSICS LETTERS 33.3(2016):—.
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