Simulation of amide I′ band profiles of trans polyproline based on an excitonic coupling model

被引：27

作者：

Measey, T ^{[1
]}

Schweitzer-Stenner, R ^{[1
]}

机构：

[1] Drexel Univ, Dept Chem, Philadelphia, PA 19104 USA

来源：

CHEMICAL PHYSICS LETTERS | 2005年 / 408卷 / 1-3期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/j.cplett.2005.04.014

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：

We measured the amide I' band profile of the IR, isotropic Raman, anisotropic Raman, and Vibrational Circular Dichroism spectrum Of poly-L-proline in D2O. The band shapes were modeled by using an algorithm that exploits the delocalized character of the excited vibrational states [R. Schweitzer-Stenner, J. Phys. Chem. B. 108 (2004) 16965]. The band shapes could be quantitatively reproduced by invoking the polyproline II or 3(1)-helix conformation for all peptide residues. This corroborates the notion that the combined use of the above spectroscopies is an ideal tool to discriminate different conformations associated with the so-called random coil state of peptides. (c) 2005 Elsevier B.V. All rights reserved.

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页码：123 / 127

页数：5

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