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QM/MM Study of the Second Harmonic Generation and Two-photon Absorption Properties of a Fluorescent Proteins-Dreiklang
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作者 张敏熠 魏婧 +2 位作者 宋金帅 吴鹏 李春森 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2018年第9期1393-1403,共11页
A new reversibly switchable fluorescent protein(RSFP), namely Dreiklang, exhibits prominent feature that the wavelengths for switching and fluorescence are decoupled due to its great different structures between bri... A new reversibly switchable fluorescent protein(RSFP), namely Dreiklang, exhibits prominent feature that the wavelengths for switching and fluorescence are decoupled due to its great different structures between bright and dark states. This feature might also induce some nonlinear optic(NLO) properties changing as switching between two states, which might promote new method of biological science. We employ the QM/MM method to simulate the structures of different states, and study their second harmonic generation(SHG) and two-photon absorption(TPA) properties. And we found different states of Dreiklang have different SHG and TPA responses. The SHG and TPA properties of Dreiklang are correlated to particularly geometrical structures of different states, especially the centrosymmetric or nocentrosymmetric π-stacking structures which are formed by chromophore and beside residue Tyr203, so the SHG and TPA responses could be changed as the light induces switching among different states of Dreiklang. This work would prospectively guide the application of Dreiklang on the NLO technology, and help the development of new RSFP with special NLO function. 展开更多
关键词 fluorescent proteins the second harmonic generation two-photon absorption QM/MM method
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