Title

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

Authors

Authors

Y. Vesga; C. Diaz;F. E. Hernandez

Comments

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Abbreviated Journal Title

RSC Adv.

Keywords

DENSITY-FUNCTIONAL THEORY; ABSORPTION; SPECTROSCOPY; MODEL; IR; Chemistry, Multidisciplinary

Abstract

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.

Journal Title

Rsc Advances

Volume

4

Issue/Number

105

Publication Date

1-1-2014

Document Type

Article

Language

English

First Page

60974

Last Page

60986

WOS Identifier

WOS:000345655600067

ISSN

2046-2069

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