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• W2896817369 startingPage "6350" @default.
• W2896817369 abstract "Rhodopsins hosting synthetic retinal protonated Schiff base analogues are important for developing tools for optogenetics and high-resolution imaging. The ideal spectroscopic properties of such analogues include long-wavelength absorption/emission and fast/hindered photoisomerization. While the former may be achieved, for instance, by elongating the chromophore π-system, the latter requires a detailed understanding of the substituent effects (i.e., steric or electronic) on the chromophore light-induced dynamics. In the present letter we compare the results of quantum mechanics/molecular mechanics excited-state trajectories of native and analogue-hosting microbial rhodopsins from the eubacterium Anabaena. The results uncover a relationship between the nature of the substituent on the analogue (i.e., electron-donating (a Me group) or electron-withdrawing (a CF3 group)) and rhodopsin excited-state lifetime. Most importantly, we show that electron-donating or -withdrawing substituents cause a decrease or an increase in the electronic mixing of the first two excited states which, in turn, controls the photoisomerization speed." @default.
• W2896817369 created "2018-10-26" @default.
• W2896817369 creator A5040492635 @default.
• W2896817369 creator A5061368894 @default.
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• W2896817369 date "2018-10-18" @default.
• W2896817369 modified "2023-09-30" @default.
• W2896817369 title "Electronic State Mixing Controls the Photoreactivity of a Rhodopsin with all-<i>trans</i> Chromophore Analogues" @default.
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• W2896817369 doi "https://doi.org/10.1021/acs.jpclett.8b02550" @default.
• W2896817369 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/6261349" @default.
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• W2896817369 hasPublicationYear "2018" @default.
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