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A theoretical investigation of the effect of water on the structure and fluorescence spectra of L-tryptophan

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Abstract

Fluorescence spectra of two long-wavelength electron transitions S 0 ← 1 L b and S 0 ← 1 L a in uncharged and zwitterionic forms of L-tryptophan (Trp) in aqueous solution and in the complex of Trp with water molecule were calculated using the Frank–Condon approximation. Geometric parameters of Trp in electronically excited states were determined, and the vibrational structure of vibronic spectra was analyzed. It was shown that the relative position of structural fragments of alanine (R-Ala) and indole (R-In) could have a determining effect on the fluorescence and formation of the vibrational structure of electronic spectra. The increase of the rotation angle between the R-Ala and R-In, which depends on the Trp environment, results in the Trp fluorescence originating only from the singlet excited state 1 L a .

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Authors and Affiliations

  1. Chernyshevsky Saratov State Research University, Saratov, 410026, Russia

    G. N. Ten, O. E. Glukhova & M. M. Slepchenkov

  2. Russian Research Antiplague Institute Mikrob, Saratov, 410005, Russia

    N. E. Shcherbakova

  3. Vernadskii Institute of Geochemistry and Analytical Chemistry, Russian Academy of Sciences, Moscow, 119991, Russia

    V. I. Baranov

Authors
  1. G. N. Ten
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  2. O. E. Glukhova
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  3. M. M. Slepchenkov
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  4. N. E. Shcherbakova
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  5. V. I. Baranov
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Correspondence to G. N. Ten.

Additional information

Original Russian Text © G.N. Ten, O.E. Glukhova, M.M. Slepchenkov, N.E. Shcherbakova, V.I. Baranov, 2016, published in Optika i Spektroskopiya, 2016, Vol. 121, No. 4, pp. 655–662.

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Ten, G.N., Glukhova, O.E., Slepchenkov, M.M. et al. A theoretical investigation of the effect of water on the structure and fluorescence spectra of L-tryptophan. Opt. Spectrosc. 121, 599–606 (2016). https://doi.org/10.1134/S0030400X16100246

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  • DOI: https://doi.org/10.1134/S0030400X16100246

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