Theoretical study of two-photon circular dichroism on molecular structures simulating aromatic amino acid residues in proteins with secondary structures

被引：4

作者：

Vesga, Yuly ^{[1
]}

Diaz, Carlos ^{[1
]}

Hernandez, Florencio E. ^{[1
,2
]}

机构：

[1] Univ Cent Florida, Dept Chem, Orlando, FL 32816 USA

[2] Univ Cent Florida, CREOL, Coll Opt & Photon, Orlando, FL 32816 USA

来源：

RSC ADVANCES | 2014年 / 4卷 / 105期

基金：

美国国家科学基金会;

关键词：

DENSITY-FUNCTIONAL THEORY; ABSORPTION; SPECTROSCOPY; MODEL; IR;

D O I：

10.1039/c4ra08383k

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Herein, we report on the calculation and the comparative analysis of the theoretical two-photon circular dichroism (TPCD) spectra of L-histidine (His), L-phenylalanine (Phe), and L-tyrosine (Tyr) simulating residues in proteins with secondary structures (alpha-helix, beta-strand and random coil), down to the far-UV region (FUV). This work exposes unique signatures in the FUV for each conformer in each configuration. The outcomes of this research show how FUV-TPCD can be used to study peptide and protein structures in a region never evaluated before but packed with important structural information.

引用

页码：60974 / 60986

页数：13

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