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

页码：122 / 129

页数：8

共 17 条

[1] Aromatic dipeptides and their salts - Solid-state linear-dichroic infrared (IR-LD) spectral analysis and ab initio calculations
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[2] Protonation of benzimidazoles and 1,2,3-benzotriazoles - Solid-state linear dichroic infrared (IR-LD) spectral analysis and ab initio calculations
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[3] Solid-state IR-LD spectroscopy of codeine and N-norcodeine derivatives
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[4] Spectroscopic and structural elucidation of L-tyrosine-containing dipeptides valyl-tyrosine and tyrosyl-alanine: Solid-state IR-LD spectroscopy, quantum chemical calculations and vibrational analysis
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[5] Solid-state IR-LD spectroscopic and theoretical analysis of arginine-containing peptides
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[6] Solid-state IR-LD spectroscopic and theoretical analysis of glycine-containing peptides and their hydrochlorides
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[7] IR-LD Spectral Study and ab Initio Calculations of 1-Phenyl 3-Substituted Pyrazol-5-Ones
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Structural Chemistry, 2005, 16 : 47 - 53
[8] IR-LD spectral study and ab initio calculations of 1-phenyl 3-substituted pyrazol-5-ones
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STRUCTURAL CHEMISTRY, 2005, 16 (01) : 47 - 53
[9] Structural characterization of silver dialkylphosphite salts using solid-state 109Ag and 31P NMR spectroscopy, IR spectroscopy and DFT calculations
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[10] Stereo-structural prediction and IR-characteristic band assignment of amorphous protonated forms of homodipeptides L-Phe-L-Phe, L-Trp-L-Trp, L-Tyr-L-Tyr and the neutral -L-Trp-L-Trp.: Ab initio approximation and solid-state linear-polarized IR-spectroscopy
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PROTEIN AND PEPTIDE LETTERS, 2006, 13 (09): : 887 - 894

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