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

    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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