期刊
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
卷 406, 期 -, 页码 -出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.jphotochem.2020.113000
关键词
Cypridina bioluminescence; TDDFT; Basic amino acid; Hydrogen bond; Solvent polarity
资金
- National Natural Science Foundation of China [11764026, 21473071]
- Science and Technology Planning Project of Yunnan Province [202001AT070080]
- National Key Basic Research Program [2013CB834801]
- (ADC 973)
- Special Funding to Basic Scientific Research Projects for Central Colleges
Using theoretical Density Functional Theory (DFT) and Time Dependent Density Functional Theory (TDDFT) approaches, this study investigated the solvent effect on the fluorescent spectrum, the basicity of amino acids, and the covalent character of hydrogen bonds on Cypridina oxyluciferin. Results showed that the emission wavelengths were minimally affected by solvent polarity, and the effects of basic amino acids and environmental polarity on the structure and spectroscopic properties were slight. The covalent character of the hydrogen bond was found to modulate the fluorescent properties of Cypridina oxyluciferin.
Because of high bioluminescent quantum yields, independent cofactors, high signal-to-noise ratio, Cypridina bioluminescence has been successfully applied to gene reporter assays, enzyme immunoassays, immunohistology and imaging. Although the chemical reaction that transforms Cypridina luciferin into Cypridina oxyluciferin is clearly defined, the environmental effects on the spectrochemistry of Cypridina oxyluciferin continue to be a particularly intriguing aspect. In this paper, the solvent effect on the fluorescent spectrum, the basicity of amino acids and the degree of covalent character of hydrogen bond were studied by a theoretical Density Functional Theory (DFT) and Time Dependent Density Functional Theory (TDDFT) approach. Our results demonstrate that the emission wavelengths varied little with solvent polarity. The compositive effects of basic amino acid and polarity of the environment only slightly affected the structure and spectroscopic properties. The fluorescent properties of Cypridina oxyluciferin can be modulated by the covalent character of the hydrogen bond.
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