A theoretical investigation of the effect of water on the structure and fluorescence spectra of L-tryptophan
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- 作者：G. N. Ten ; O. E. Glukhova ; M. M. Slepchenkov ; N. E. Shcherbakova…
- 刊名：Optics and Spectroscopy
- 出版年：2016
- 出版时间：October 2016
- 年：2016
- 卷：121
- 期：4
- 页码：599-606
- 全文大小：562 KB
- 刊物类别：Physics and Astronomy
- 刊物主题：Physics
Optical Spectroscopy and Ultrafast Optics
Russian Library of Science - 出版者：MAIK Nauka/Interperiodica distributed exclusively by Springer Science+Business Media LLC.
- ISSN：1562-6911
- 卷排序：121
文摘
Fluorescence spectra of two long-wavelength electron transitions S0 ← 1Lb and S0 ← 1La 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 1La.