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Isolated β-Turn Model Systems Investigated by Combined IR/UV Spectroscopy

Authors

  • Dr. Kirsten Schwing,

    1. Fachbereich Chemie and research center OPTIMAS, Physikalische und Theoretische Chemie, TU Kaiserslautern, Erwin-Schrödinger-Straße 52, 67663 Kaiserslautern (Germany), Fax: (+49) 631-205-2750
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  • Dr. Holger Fricke,

    1. Fachbereich Chemie and research center OPTIMAS, Physikalische und Theoretische Chemie, TU Kaiserslautern, Erwin-Schrödinger-Straße 52, 67663 Kaiserslautern (Germany), Fax: (+49) 631-205-2750
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  • Dr. Kristina Bartl,

    1. Fachbereich Chemie and research center OPTIMAS, Physikalische und Theoretische Chemie, TU Kaiserslautern, Erwin-Schrödinger-Straße 52, 67663 Kaiserslautern (Germany), Fax: (+49) 631-205-2750
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  • Dr. Jolanta Polkowska,

    1. Fachbereich Chemie, Institut für Organische Chemie, Universität Duisburg-Essen, Universitätsstraße 1, 45117 Essen (Germany)
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  • Prof. Dr. Thomas Schrader,

    1. Fachbereich Chemie, Institut für Organische Chemie, Universität Duisburg-Essen, Universitätsstraße 1, 45117 Essen (Germany)
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  • Prof. Dr. Markus Gerhards

    Corresponding author
    1. Fachbereich Chemie and research center OPTIMAS, Physikalische und Theoretische Chemie, TU Kaiserslautern, Erwin-Schrödinger-Straße 52, 67663 Kaiserslautern (Germany), Fax: (+49) 631-205-2750
    • Fachbereich Chemie and research center OPTIMAS, Physikalische und Theoretische Chemie, TU Kaiserslautern, Erwin-Schrödinger-Straße 52, 67663 Kaiserslautern (Germany), Fax: (+49) 631-205-2750
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Abstract

The functionality of bioactive molecules sensitively depends on their structure. For the investigation of intrinsic structural properties, molecular beam experiments combined with laser spectroscopy have proven to be a suitable tool. Herein we present an analysis of the two isolated tripeptide model systems Ac-Phe-Tyr(Me)-NHMe and Boc-Phe-Tyr(Me)-NHMe. For this purpose, mass-selective combined IR/UV spectroscopy is applied to both substances in a molecular beam experiment. The comparison of the experimental data with DFT calculations, including different functionals as well as dispersion corrections, allows an assignment of both tripeptide models to β-turns formed independently from the protection groups and supported by the interaction of the two aromatic chromophores.

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