Title

Two-photon circular dichroism of molecular structures simulating L-tryptophan residues in proteins with secondary structures

Authors

Authors

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

Comments

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Abbreviated Journal Title

Chem. Phys. Lett.

Keywords

DENSITY-FUNCTIONAL THEORY; AMINO-ACIDS; ABSORPTION; SPECTROSCOPY; EXCHANGE; MODEL; IR; Chemistry, Physical; Physics, Atomic, Molecular & Chemical

Abstract

Herein, we report on the calculation and the comparative analysis of the theoretical two-photon circular dichroism (TPCD) spectra of L-tryptophan (Trp) residues in proteins with secondary structures (alpha-helix, beta-strand and random coil) conformation, down to the far-UV region (FUV). The examination of the TPCD spectra of the different conformers in each configuration reveals distinctive fingerprints in the FUV, a dark spectral region for electronic circular dichroism (ECD). Our results show the potential of FUV-TPCD to identify and study protein structures in a region never assessed before but filled with important structural information. (C) 2014 Elsevier B.V. All rights reserved.

Journal Title

Chemical Physics Letters

Volume

601

Publication Date

1-1-2014

Document Type

Editorial Material

Language

English

First Page

6

Last Page

12

WOS Identifier

WOS:000335515200002

ISSN

0009-2614

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