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On the fluorescence enhancement of arch neuronal optogenetic reporters

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 mode...

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Autores principales: Barneschi, Leonardo, Marsili, Emanuele, Pedraza-González, Laura, Padula, Daniele, De Vico, Luca, Kaliakin, Danil, Blanco-González, Alejandro, Ferré, Nicolas, Huix-Rotllant, Miquel, Filatov, Michael, Olivucci, Massimo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9616920/
https://www.ncbi.nlm.nih.gov/pubmed/36307417
http://dx.doi.org/10.1038/s41467-022-33993-4
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author Barneschi, Leonardo
Marsili, Emanuele
Pedraza-González, Laura
Padula, Daniele
De Vico, Luca
Kaliakin, Danil
Blanco-González, Alejandro
Ferré, Nicolas
Huix-Rotllant, Miquel
Filatov, Michael
Olivucci, Massimo
author_facet Barneschi, Leonardo
Marsili, Emanuele
Pedraza-González, Laura
Padula, Daniele
De Vico, Luca
Kaliakin, Danil
Blanco-González, Alejandro
Ferré, Nicolas
Huix-Rotllant, Miquel
Filatov, Michael
Olivucci, Massimo
author_sort Barneschi, Leonardo
collection PubMed
description 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.
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spelling pubmed-96169202022-10-30 On the fluorescence enhancement of arch neuronal optogenetic reporters Barneschi, Leonardo Marsili, Emanuele Pedraza-González, Laura Padula, Daniele De Vico, Luca Kaliakin, Danil Blanco-González, Alejandro Ferré, Nicolas Huix-Rotllant, Miquel Filatov, Michael Olivucci, Massimo Nat Commun Article 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. Nature Publishing Group UK 2022-10-28 /pmc/articles/PMC9616920/ /pubmed/36307417 http://dx.doi.org/10.1038/s41467-022-33993-4 Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Barneschi, Leonardo
Marsili, Emanuele
Pedraza-González, Laura
Padula, Daniele
De Vico, Luca
Kaliakin, Danil
Blanco-González, Alejandro
Ferré, Nicolas
Huix-Rotllant, Miquel
Filatov, Michael
Olivucci, Massimo
On the fluorescence enhancement of arch neuronal optogenetic reporters
title On the fluorescence enhancement of arch neuronal optogenetic reporters
title_full On the fluorescence enhancement of arch neuronal optogenetic reporters
title_fullStr On the fluorescence enhancement of arch neuronal optogenetic reporters
title_full_unstemmed On the fluorescence enhancement of arch neuronal optogenetic reporters
title_short On the fluorescence enhancement of arch neuronal optogenetic reporters
title_sort on the fluorescence enhancement of arch neuronal optogenetic reporters
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9616920/
https://www.ncbi.nlm.nih.gov/pubmed/36307417
http://dx.doi.org/10.1038/s41467-022-33993-4
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