Influence of pH on the cis-trans isomerization of Valine-Proline dipeptide: An integrated NMR and theoretical investigation

被引：9
|
作者：
Ivanova, Galya [1 ]
Yakimova, Boryana [2 ]
Angelova, Silvia [2 ]
Stoineva, Ivanka [2 ]
Enchev, Venelin [2 ]
机构：
[1] Univ Porto, Fac Ciencias, Dept Quim, REQUIMTE, P-4169007 Oporto, Portugal
[2] Bulgarian Acad Sci, Inst Organ Chem, BU-1113 Sofia, Bulgaria
来源：
JOURNAL OF MOLECULAR STRUCTURE | 2010年 / 975卷 / 1-3期
关键词：
Valine-Proline; NMR; Cis-trans isomerization; Ab initio; PROTEIN; AUTOINHIBITION; PEPTIDES; SYSTEMS;
D O I：
10.1016/j.molstruc.2010.04.046
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：
The pH influence on the cis-trans isomerization of the Valine-Proline dipeptide was investigated by means of NMR spectral techniques and quantum chemical calculations at different computational levels. It was found that the process of isomerization is strongly pH dependent. The trans-isomer of Val-Pro is the more abundant isomer when the amino group is protonated, while an approximately equal distribution between the cis and trans-isomers for the neutral and anion forms of the dipeptide was confirmed. (C) 2010 Elsevier B.V. All rights reserved.
引用
收藏
页码：330 / 334
页数：5
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