Stereo-structural and IR-spectral characterization of histidine containing dipeptides by means of solid-state IR-LD spectroscopy and ab initio calculations

被引：50
|
作者：
Ivanova, BB [1 ]
机构：
[1] Univ Sofia, Fac Chem, Sofia 1164, Bulgaria
来源：
JOURNAL OF MOLECULAR STRUCTURE | 2006年 / 782卷 / 2-3期
关键词：
Met-His; His-Met; IR-LD spectroscopy; ab initio calculations;
D O I：
10.1016/j.molstruc.2005.08.004
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：
By means of solid-state linear-dichroic infrared (IR-LD) spectroscopy the stereo-structures of dipeptides methionyl-histidine (Met-His) and histidyl-methionine (His-Met) are predicted, accompanied with a detailed experimental IR-characteristic bands assignment. The experimental results are compared and confirmed with theoretical structural ones, obtained by ab initio calculations at the Hartree-Fock level of theory and 6-31G**. (c) 2005 Published by Elsevier B.V.
引用
收藏
页码：122 / 129
页数：8
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