The eight structures of caffeic acid: a jet-cooled laser ablated rotational study

Producción Científica

Detalhes bibliográficos
Autores: Juárez López, Gabriela, Sanz Novo, Miguel, Aguado Vesperinas, Raúl, Alonso Hernández, José Luis, León Ona, Iker, Alonso Alonso, Elena Rita
Formato: artículo
Estado:Versión publicada
Fecha de publicación:2023
País:España
Recursos:Universidad de Valladolid
Repositorio:UVaDOC. Repositorio Documental de la Universidad de Valladolid
OAI Identifier:oai:uvadoc.uva.es:10324/81564
Acesso em linha:https://doi.org/10.1039/D2RA07124J
https://uvadoc.uva.es/handle/10324/81564
Access Level:acceso abierto
Palavra-chave:Biomolecules
Rotational spectroscopy
Molecular Interactions
Sugar
Gas Phase
23 Química
2210 Química Física
2206.07 Espectroscopia Molecular
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spelling The eight structures of caffeic acid: a jet-cooled laser ablated rotational studyJuárez López, GabrielaSanz Novo, MiguelAguado Vesperinas, RaúlAlonso Hernández, José LuisLeón Ona, IkerAlonso Alonso, Elena RitaBiomoleculesRotational spectroscopyMolecular InteractionsSugarGas Phase23 Química2210 Química Física2206.07 Espectroscopia MolecularProducción CientíficaThis work reports a complete conformational analysis of caffeic acid, an exceptionally versatile pharmacophore, using laser ablation chirped-pulse Fourier transform microwave spectroscopy. The whole conformational space consisting of eight distinct species has been fully deciphered based on the trend of the rotational constants supported by theoretical computations. We show how rotational spectroscopy can be confidently used to distinguish between conformers even when the structural differences are minimal, such as those involved in the conformational panorama of caffeic acid. Additionally, the structural information here provided, such as the planarity observed in all the conformers, could help to elucidate the mechanisms underlying the biological and pharmacological activity of hydroxycinnamic acids.Este trabajo forma parte del proyecto de investigación Nacional "Proyectos de Generación de Conocimiento" PID2019-111396GB-I00 y la Junta de Castilla y León regional VA244P20Royal Society of Chemistry2023info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://doi.org/10.1039/D2RA07124Jhttps://uvadoc.uva.es/handle/10324/81564reponame:UVaDOC. Repositorio Documental de la Universidad de Valladolidinstname:Universidad de ValladolidInglésinfo:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-nd/3.0/oai:uvadoc.uva.es:10324/815642026-06-13T12:44:47Z
dc.title.none.fl_str_mv The eight structures of caffeic acid: a jet-cooled laser ablated rotational study
title The eight structures of caffeic acid: a jet-cooled laser ablated rotational study
spellingShingle The eight structures of caffeic acid: a jet-cooled laser ablated rotational study
Juárez López, Gabriela
Biomolecules
Rotational spectroscopy
Molecular Interactions
Sugar
Gas Phase
23 Química
2210 Química Física
2206.07 Espectroscopia Molecular
title_short The eight structures of caffeic acid: a jet-cooled laser ablated rotational study
title_full The eight structures of caffeic acid: a jet-cooled laser ablated rotational study
title_fullStr The eight structures of caffeic acid: a jet-cooled laser ablated rotational study
title_full_unstemmed The eight structures of caffeic acid: a jet-cooled laser ablated rotational study
title_sort The eight structures of caffeic acid: a jet-cooled laser ablated rotational study
dc.creator.none.fl_str_mv Juárez López, Gabriela
Sanz Novo, Miguel
Aguado Vesperinas, Raúl
Alonso Hernández, José Luis
León Ona, Iker
Alonso Alonso, Elena Rita
author Juárez López, Gabriela
author_facet Juárez López, Gabriela
Sanz Novo, Miguel
Aguado Vesperinas, Raúl
Alonso Hernández, José Luis
León Ona, Iker
Alonso Alonso, Elena Rita
author_role author
author2 Sanz Novo, Miguel
Aguado Vesperinas, Raúl
Alonso Hernández, José Luis
León Ona, Iker
Alonso Alonso, Elena Rita
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv Biomolecules
Rotational spectroscopy
Molecular Interactions
Sugar
Gas Phase
23 Química
2210 Química Física
2206.07 Espectroscopia Molecular
topic Biomolecules
Rotational spectroscopy
Molecular Interactions
Sugar
Gas Phase
23 Química
2210 Química Física
2206.07 Espectroscopia Molecular
description Producción Científica
publishDate 2023
dc.date.none.fl_str_mv 2023
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://doi.org/10.1039/D2RA07124J
https://uvadoc.uva.es/handle/10324/81564
url https://doi.org/10.1039/D2RA07124J
https://uvadoc.uva.es/handle/10324/81564
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nc-nd/3.0/
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by-nc-nd/3.0/
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Royal Society of Chemistry
publisher.none.fl_str_mv Royal Society of Chemistry
dc.source.none.fl_str_mv reponame:UVaDOC. Repositorio Documental de la Universidad de Valladolid
instname:Universidad de Valladolid
instname_str Universidad de Valladolid
reponame_str UVaDOC. Repositorio Documental de la Universidad de Valladolid
collection UVaDOC. Repositorio Documental de la Universidad de Valladolid
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15.198674

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