Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics

Myoglobin bound to carbon monoxide undergoes an ultrafast light-induced reaction, which ends up in a photolyzed carbon monoxide and a spin transition of the iron center. Here, the authors employ quantum wavepacket dynamics to show that photolysis precedes the spin transition, a mechanism dominated b...

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Autores principales:	Konstantin Falahati, Hiroyuki Tamura, Irene Burghardt, Miquel Huix-Rotllant
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2018
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/ded3079869fb4ffcb489799f6b572ef1
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spelling	oai:doaj.org-article:ded3079869fb4ffcb489799f6b572ef12021-12-02T17:33:04ZUltrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics10.1038/s41467-018-06615-12041-1723https://doaj.org/article/ded3079869fb4ffcb489799f6b572ef12018-10-01T00:00:00Zhttps://doi.org/10.1038/s41467-018-06615-1https://doaj.org/toc/2041-1723Myoglobin bound to carbon monoxide undergoes an ultrafast light-induced reaction, which ends up in a photolyzed carbon monoxide and a spin transition of the iron center. Here, the authors employ quantum wavepacket dynamics to show that photolysis precedes the spin transition, a mechanism dominated by strong electron-nuclear couplings.Konstantin FalahatiHiroyuki TamuraIrene BurghardtMiquel Huix-RotllantNature PortfolioarticleScienceQENNature Communications, Vol 9, Iss 1, Pp 1-8 (2018)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Konstantin Falahati Hiroyuki Tamura Irene Burghardt Miquel Huix-Rotllant Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics
description	Myoglobin bound to carbon monoxide undergoes an ultrafast light-induced reaction, which ends up in a photolyzed carbon monoxide and a spin transition of the iron center. Here, the authors employ quantum wavepacket dynamics to show that photolysis precedes the spin transition, a mechanism dominated by strong electron-nuclear couplings.
format	article
author	Konstantin Falahati Hiroyuki Tamura Irene Burghardt Miquel Huix-Rotllant
author_facet	Konstantin Falahati Hiroyuki Tamura Irene Burghardt Miquel Huix-Rotllant
author_sort	Konstantin Falahati
title	Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics
title_short	Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics
title_full	Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics
title_fullStr	Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics
title_full_unstemmed	Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics
title_sort	ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics
publisher	Nature Portfolio
publishDate	2018
url	https://doaj.org/article/ded3079869fb4ffcb489799f6b572ef1
work_keys_str_mv	AT konstantinfalahati ultrafastcarbonmonoxidephotolysisandhemespincrossoverinmyoglobinvianonadiabaticquantumdynamics AT hiroyukitamura ultrafastcarbonmonoxidephotolysisandhemespincrossoverinmyoglobinvianonadiabaticquantumdynamics AT ireneburghardt ultrafastcarbonmonoxidephotolysisandhemespincrossoverinmyoglobinvianonadiabaticquantumdynamics AT miquelhuixrotllant ultrafastcarbonmonoxidephotolysisandhemespincrossoverinmyoglobinvianonadiabaticquantumdynamics
_version_	1718380093521264640

Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics

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