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- W4308210345 abstract "The understanding of how the rhodopsin sequence can be modified to exactly modulate the spectroscopic properties of its retinal chromophore, is a prerequisite for the rational design of more effective optogenetic tools. One key problem is that of establishing the rules to be satisfied for achieving highly fluorescent rhodopsins with a near infrared absorption. In the present paper we use multi-configurational quantum chemistry to construct a computer model of a recently discovered natural rhodopsin, Neorhodopsin, displaying exactly such properties. We show that the model, that successfully replicates the relevant experimental observables, unveils a geometrical and electronic structure of the chromophore featuring a highly diffuse charge distribution along its conjugated chain. The same model reveals that a charge confinement process occurring along the chromophore excited state isomerization coordinate, is the primary cause of the observed fluorescence enhancement." @default.
- W4308210345 created "2022-11-09" @default.
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- W4308210345 date "2022-11-04" @default.
- W4308210345 modified "2023-09-25" @default.
- W4308210345 title "Retinal chromophore charge delocalization and confinement explain the extreme photophysics of Neorhodopsin" @default.
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- W4308210345 doi "https://doi.org/10.1038/s41467-022-33953-y" @default.
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