Experimental evaluation of inhibition performance and inhibition mechanism analysis of amino acid inhibitors

被引：1
|
作者：
Zhang J. [1 ]
Yan Y.-G. [1 ]
Ren Z.-J. [1 ]
Hu S.-Q. [1 ]
Qiao G.-M. [1 ]
机构：
[1] College of Physics Science and Technology in China University of Petroleum
来源：
Zhongguo Shiyou Daxue Xuebao (Ziran Kexue Ban)/Journal of China University of Petroleum (Edition of Natural Science) | 2010年 / 34卷 / 03期
关键词：
Inhibition mechanism; Molecular dynamics simulation; Quantum chemistry calculation; Weight loss measurement;
D O I：
10.3969/j.issn.1673-5005.2010.03.031
中图分类号：
学科分类号：
摘要：
The inhibition performances of three amino acids were investigated by combination of weight loss measurement and molecular simulation method, and the inhibition mechanism was also studied. The experimental results show that the inhibition efficiency of cysteine is the highest, followed by valine, and alanine is the worst. The active reactions of molecules are similar. Cysteine molecule possesses two electrophilic attack centers, which bore the highest reaction activity, and valine molecule exhibits higher reaction activity than alanine molecule. The adsorption stability of cysteine is the strongest, followed by valine, and alanine is the worst. The theoretical results show that the inhibition efficiency of cysteine is the highest, followed by valine, and alanine is the worst, which agree well with the experimental results.
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页码：152 / 156
页数：4
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