NATURE OF DENATURING AGENTS - MONTE-CARLO SIMULATIONS OF BIMOLECULAR COMPLEXES INVOLVING UREA AND N-METHYLACETAMIDE IN AQUEOUS-SOLUTION

被引：9
|
作者：
PRANATA, J
机构：
[1] Department of Chemistry and Biochemistry, University of Arkansas, Fayetteville
来源：
JOURNAL OF PHYSICAL CHEMISTRY | 1995年 / 99卷 / 13期
关键词：
D O I：
10.1021/j100013a066
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Monte Carlo simulations were utilized to investigate the formation of dimers involving urea and N-methylacetamide (NMA) inaqueous solution. The dimers-show much variation in structure, including both singly and doubly hydrogen-bonded as well as stacked configurations, depending on their constitution and intermolecular separation. Relative stabilities of the dimers were found to be urea dimer > mixed dimer > NMA dimer. These results suggest that protein denaturation in the presence of urea involves the participation of aggregates of the denaturant.
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页码：4855 / 4859
页数：5
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