Conformer-selective Photodynamics of TrpH+−H2O

Autores
Molina, Franco Leonardo; Dezalay, Jordan; Tabata, Jun-ichi; Soorkia, Satchin; Broquier, Michel; Hirata, Keisuke; Ishiuchi, Shun-Ichi; Fujii, Masaaki; Grégoire, Gilles
Año de publicación
2023
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The photodynamics of protonated tryptophan and its mono hydrated complex TrpH+−H2O has been revisited. A combination of steady-state IR and UV cryogenic ion spectroscopies with picosecond pump-probe photodissociation experiments sheds new lights on the deactivation processes of TrpH+ and conformer-selected TrpH+−H2O complex, supported by quantum chemistry calculations at the DFT and coupled-cluster levels for the ground and excited states, respectively. TrpH+ excited at the band origin exhibits a transient of less than 100 ps, assigned to the lifetime of the excited state proton transfer (ESPT) structure. The two experimentally observed conformers of TrpH+−H2O have been assigned. A striking result arises from the conformer-selective photodynamics of TrpH+−H2O, in which a single water molecule inserted in between the ammonium and the indole ring hinders the barrierless ESPT reaction responsible for the ultra-fast deactivation process observed in the other conformer and in bare TrpH+.
Fil: Molina, Franco Leonardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Dezalay, Jordan. Universite Paris-saclay (universite Paris-saclay);
Fil: Tabata, Jun-ichi. No especifíca;
Fil: Soorkia, Satchin. Universite Paris-saclay (universite Paris-saclay);
Fil: Broquier, Michel. Universite Paris-saclay (universite Paris-saclay);
Fil: Hirata, Keisuke. No especifíca;
Fil: Ishiuchi, Shun-Ichi. No especifíca;
Fil: Fujii, Masaaki. No especifíca;
Fil: Grégoire, Gilles. No especifíca;
Materia
BIOMOLECULES
CRYOGENIC ION SPECTROSCOPY
HYDRATION
IR AND UV PHOTODISSOCIATION
PHOTOPHYSICS
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/226761
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/226761
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Conformer-selective Photodynamics of TrpH+−H2OMolina, Franco LeonardoDezalay, JordanTabata, Jun-ichiSoorkia, SatchinBroquier, MichelHirata, KeisukeIshiuchi, Shun-IchiFujii, MasaakiGrégoire, GillesBIOMOLECULESCRYOGENIC ION SPECTROSCOPYHYDRATIONIR AND UV PHOTODISSOCIATIONPHOTOPHYSICShttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The photodynamics of protonated tryptophan and its mono hydrated complex TrpH+−H2O has been revisited. A combination of steady-state IR and UV cryogenic ion spectroscopies with picosecond pump-probe photodissociation experiments sheds new lights on the deactivation processes of TrpH+ and conformer-selected TrpH+−H2O complex, supported by quantum chemistry calculations at the DFT and coupled-cluster levels for the ground and excited states, respectively. TrpH+ excited at the band origin exhibits a transient of less than 100 ps, assigned to the lifetime of the excited state proton transfer (ESPT) structure. The two experimentally observed conformers of TrpH+−H2O have been assigned. A striking result arises from the conformer-selective photodynamics of TrpH+−H2O, in which a single water molecule inserted in between the ammonium and the indole ring hinders the barrierless ESPT reaction responsible for the ultra-fast deactivation process observed in the other conformer and in bare TrpH+.Fil: Molina, Franco Leonardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Dezalay, Jordan. Universite Paris-saclay (universite Paris-saclay);Fil: Tabata, Jun-ichi. No especifíca;Fil: Soorkia, Satchin. Universite Paris-saclay (universite Paris-saclay);Fil: Broquier, Michel. Universite Paris-saclay (universite Paris-saclay);Fil: Hirata, Keisuke. No especifíca;Fil: Ishiuchi, Shun-Ichi. No especifíca;Fil: Fujii, Masaaki. No especifíca;Fil: Grégoire, Gilles. No especifíca;Wiley VCH Verlag2023-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/226761Molina, Franco Leonardo; Dezalay, Jordan; Tabata, Jun-ichi; Soorkia, Satchin; Broquier, Michel; et al.; Conformer-selective Photodynamics of TrpH+−H2O; Wiley VCH Verlag; Chemphyschem; 24; 2; 1-2023; 1-101439-4235CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1002/cphc.202200561info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:57:39Zoai:ri.conicet.gov.ar:11336/226761instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 09:57:39.453CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Conformer-selective Photodynamics of TrpH+−H2O
title Conformer-selective Photodynamics of TrpH+−H2O
spellingShingle Conformer-selective Photodynamics of TrpH+−H2O
Molina, Franco Leonardo
BIOMOLECULES
CRYOGENIC ION SPECTROSCOPY
HYDRATION
IR AND UV PHOTODISSOCIATION
PHOTOPHYSICS
title_short Conformer-selective Photodynamics of TrpH+−H2O
title_full Conformer-selective Photodynamics of TrpH+−H2O
title_fullStr Conformer-selective Photodynamics of TrpH+−H2O
title_full_unstemmed Conformer-selective Photodynamics of TrpH+−H2O
title_sort Conformer-selective Photodynamics of TrpH+−H2O
dc.creator.none.fl_str_mv Molina, Franco Leonardo
Dezalay, Jordan
Tabata, Jun-ichi
Soorkia, Satchin
Broquier, Michel
Hirata, Keisuke
Ishiuchi, Shun-Ichi
Fujii, Masaaki
Grégoire, Gilles
author Molina, Franco Leonardo
author_facet Molina, Franco Leonardo
Dezalay, Jordan
Tabata, Jun-ichi
Soorkia, Satchin
Broquier, Michel
Hirata, Keisuke
Ishiuchi, Shun-Ichi
Fujii, Masaaki
Grégoire, Gilles
author_role author
author2 Dezalay, Jordan
Tabata, Jun-ichi
Soorkia, Satchin
Broquier, Michel
Hirata, Keisuke
Ishiuchi, Shun-Ichi
Fujii, Masaaki
Grégoire, Gilles
author2_role author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv BIOMOLECULES
CRYOGENIC ION SPECTROSCOPY
HYDRATION
IR AND UV PHOTODISSOCIATION
PHOTOPHYSICS
topic BIOMOLECULES
CRYOGENIC ION SPECTROSCOPY
HYDRATION
IR AND UV PHOTODISSOCIATION
PHOTOPHYSICS
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The photodynamics of protonated tryptophan and its mono hydrated complex TrpH+−H2O has been revisited. A combination of steady-state IR and UV cryogenic ion spectroscopies with picosecond pump-probe photodissociation experiments sheds new lights on the deactivation processes of TrpH+ and conformer-selected TrpH+−H2O complex, supported by quantum chemistry calculations at the DFT and coupled-cluster levels for the ground and excited states, respectively. TrpH+ excited at the band origin exhibits a transient of less than 100 ps, assigned to the lifetime of the excited state proton transfer (ESPT) structure. The two experimentally observed conformers of TrpH+−H2O have been assigned. A striking result arises from the conformer-selective photodynamics of TrpH+−H2O, in which a single water molecule inserted in between the ammonium and the indole ring hinders the barrierless ESPT reaction responsible for the ultra-fast deactivation process observed in the other conformer and in bare TrpH+.
Fil: Molina, Franco Leonardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Dezalay, Jordan. Universite Paris-saclay (universite Paris-saclay);
Fil: Tabata, Jun-ichi. No especifíca;
Fil: Soorkia, Satchin. Universite Paris-saclay (universite Paris-saclay);
Fil: Broquier, Michel. Universite Paris-saclay (universite Paris-saclay);
Fil: Hirata, Keisuke. No especifíca;
Fil: Ishiuchi, Shun-Ichi. No especifíca;
Fil: Fujii, Masaaki. No especifíca;
Fil: Grégoire, Gilles. No especifíca;
description The photodynamics of protonated tryptophan and its mono hydrated complex TrpH+−H2O has been revisited. A combination of steady-state IR and UV cryogenic ion spectroscopies with picosecond pump-probe photodissociation experiments sheds new lights on the deactivation processes of TrpH+ and conformer-selected TrpH+−H2O complex, supported by quantum chemistry calculations at the DFT and coupled-cluster levels for the ground and excited states, respectively. TrpH+ excited at the band origin exhibits a transient of less than 100 ps, assigned to the lifetime of the excited state proton transfer (ESPT) structure. The two experimentally observed conformers of TrpH+−H2O have been assigned. A striking result arises from the conformer-selective photodynamics of TrpH+−H2O, in which a single water molecule inserted in between the ammonium and the indole ring hinders the barrierless ESPT reaction responsible for the ultra-fast deactivation process observed in the other conformer and in bare TrpH+.
publishDate 2023
dc.date.none.fl_str_mv 2023-01
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/226761
Molina, Franco Leonardo; Dezalay, Jordan; Tabata, Jun-ichi; Soorkia, Satchin; Broquier, Michel; et al.; Conformer-selective Photodynamics of TrpH+−H2O; Wiley VCH Verlag; Chemphyschem; 24; 2; 1-2023; 1-10
1439-4235
CONICET Digital
CONICET
url http://hdl.handle.net/11336/226761
identifier_str_mv Molina, Franco Leonardo; Dezalay, Jordan; Tabata, Jun-ichi; Soorkia, Satchin; Broquier, Michel; et al.; Conformer-selective Photodynamics of TrpH+−H2O; Wiley VCH Verlag; Chemphyschem; 24; 2; 1-2023; 1-10
1439-4235
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1002/cphc.202200561
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Wiley VCH Verlag
publisher.none.fl_str_mv Wiley VCH Verlag
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
_version_ 1844613723203829760
score 13.070432

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