Theoretical simulation of the ROA spectra of neutral cysteine and serine

被引：19

作者：

Pecul, Magdalena ^{[1
]}

机构：

[1] Warsaw Univ, Dept Chem, PL-02093 Warsaw, Poland

来源：

CHEMICAL PHYSICS LETTERS | 2006年 / 427卷 / 1-3期

关键词：

D O I：

10.1016/j.cplett.2006.06.076

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：

Vibrational Raman Optical Activity (ROA) spectra have been calculated for neutral conformations of amino acids cysteine and serine. The purpose of the study was to investigate the conformational dependence of the ROA differential intensity, paying particular attention to the conformation of the polar side chains. In cysteine, the ROA intensities of side chain vibrations tend to vary fairly regularly with the value of the 0(NCCS) dihedral angle, while for serime the formation of hydrogen bonds by the side chain hydroxyl group seems to be the deciding factor determining the ROA intensities of the side chain vibrations. (c) 2006 Published by Elsevier B.V.

引用

页码：166 / 176

页数：11

共 35 条

[1] ELECTRIC AND MAGNETIC-PROPERTIES OF CO,HF,HCL AND CH3F [J].