On the fluorescence enhancement of arch neuronal optogenetic reporters

Leonardo Barneschi, Emanuele Marsili, Laura Pedraza-González, Daniele Padula, Luca De Vico, Danil Kaliakin, Alejandro Blanco-González, Nicolas Ferré, Miquel Huix-Rotllant, Michael Filatov and Massimo Olivucci ()
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Leonardo Barneschi: Università di Siena
Emanuele Marsili: Università di Siena
Laura Pedraza-González: Università di Siena
Daniele Padula: Università di Siena
Luca De Vico: Università di Siena
Danil Kaliakin: Bowling Green State University
Alejandro Blanco-González: Bowling Green State University
Nicolas Ferré: Institut de Chimie Radicalaire (UMR-7273), Aix-Marseille Université, CNRS
Miquel Huix-Rotllant: Institut de Chimie Radicalaire (UMR-7273), Aix-Marseille Université, CNRS
Michael Filatov: Kyungpook National University
Massimo Olivucci: Università di Siena

Nature Communications, 2022, vol. 13, issue 1, 1-9

Abstract: Abstract The lack of a theory capable of connecting the amino acid sequence of a light-absorbing protein with its fluorescence brightness is hampering the development of tools for understanding neuronal communications. Here we demonstrate that a theory can be established by constructing quantum chemical models of a set of Archaerhodopsin reporters in their electronically excited state. We found that the experimentally observed increase in fluorescence quantum yield is proportional to the computed decrease in energy difference between the fluorescent state and a nearby photoisomerization channel leading to an exotic diradical of the protein chromophore. This finding will ultimately support the development of technologies for searching novel fluorescent rhodopsin variants and unveil electrostatic changes that make light emission brighter and brighter.

Date: 2022
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DOI: 10.1038/s41467-022-33993-4

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