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dc.contributor.author | Lizondo-Aranda, Paloma![]() |
es_ES |
dc.contributor.author | Martínez-Fernández, Lara![]() |
es_ES |
dc.contributor.author | Miranda Alonso, Miguel Ángel![]() |
es_ES |
dc.contributor.author | Improta, Roberto![]() |
es_ES |
dc.contributor.author | Gustavsson, Thomas![]() |
es_ES |
dc.contributor.author | Lhiaubet, Virginie Lyria![]() |
es_ES |
dc.date.accessioned | 2023-11-06T19:01:55Z | |
dc.date.available | 2023-11-06T19:01:55Z | |
dc.date.issued | 2022-01-13 | es_ES |
dc.identifier.issn | 1948-7185 | es_ES |
dc.identifier.uri | http://hdl.handle.net/10251/199363 | |
dc.description | Copyright © 2021 American Chemical Society. This publication is licensed under CC-BY 4.0. | es_ES |
dc.description.abstract | [EN] Joint femtosecond fluorescence upconversion experiments and theoretical calculations provide a hitherto unattained degree of characterization and understanding of the mutagenic etheno adduct 3,N4-etheno-2'-deoxycytidine (epsilon dC) excited state relaxation. This endogenously formed lesion is attracting great interest because of its ubiquity in human tissues and its highly mutagenic properties. The epsilon dC fluorescence is modified with respect to that of the canonical base dC, with a 3-fold increased lifetime and quantum yield at neutral pH. This behavior is amplified upon protonation of the etheno ring (epsilon dCH(+)). Quantum mechanical calculations show that the lowest energy state pi pi*1 is responsible for the fluorescence and that the main nonradiative decay pathway to the ground state goes through an ethene-like conical intersection, involving the out-of-plane motion of the C5 and C6 substituents. This conical intersection is lower in energy than the pi pi* state (pi pi*1) minimum, but a sizable energy barrier explains the increase of epsilon dC and epsilon dCH(+) fluorescence lifetimes with respect to that of dC. | es_ES |
dc.description.sponsorship | Support from the Spanish (project PGC2018-096684-B-I00 funded by MCIN/AEI/10.13039/501100011033/and FEDER, and grant BES-2016-077517 for P. L.-A.) and regional (Prometeo/2017/075) governments. The research leading to these results has received funding from LASERLAB-EUROPE (grant agreement no. 654148, European Union's Horizon 2020 research and innovation programme). L.M. F. thanks the PID2019-110091GB-I00 project funded by MCIN/AEI/10.13039/501100011033 for financial support and the Centro de Computacion Cientifica UAM (CCC-UAM) for computing time. | es_ES |
dc.language | Inglés | es_ES |
dc.publisher | American Chemical Society | es_ES |
dc.relation.ispartof | The Journal of Physical Chemistry Letters | es_ES |
dc.rights | Reconocimiento (by) | es_ES |
dc.title | The Excited State Dynamics of a Mutagenic Cytidine Etheno Adduct Investigated by Combining Time-Resolved Spectroscopy and Quantum Mechanical Calculations | es_ES |
dc.type | Artículo | es_ES |
dc.identifier.doi | 10.1021/acs.jpclett.1c03534 | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PGC2018-096684-B-I00/ES/REPARACION DEL ADN POR PROCESOS MULTIFOTONICOS/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/GVA//PROMETEO%2F2017%2F075//Reacciones fotoquímicas de biomoléculas/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-110091GB-I00/ES/FLUJO DE CARGA Y ENERGIA EN PROCESOS QUIMICOS COMPLEJOS/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/MICINN//BES-2016-077517//Ayudas concedidas en la convocatoria correspondiente al año 2016 de contratos predoctorales para la formación de doctores/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/EC/H2020/654148/EU | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/MINECO//CTQ2015-70164-P/ES/LESIONES DEL ADN COMO FOTOSENSIBILIZADORES INTRINSECOS - CONCEPTO DE CABALLO DE TROYA/ | es_ES |
dc.rights.accessRights | Abierto | es_ES |
dc.contributor.affiliation | Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química | es_ES |
dc.description.bibliographicCitation | Lizondo-Aranda, P.; Martínez-Fernández, L.; Miranda Alonso, MÁ.; Improta, R.; Gustavsson, T.; Lhiaubet, VL. (2022). The Excited State Dynamics of a Mutagenic Cytidine Etheno Adduct Investigated by Combining Time-Resolved Spectroscopy and Quantum Mechanical Calculations. The Journal of Physical Chemistry Letters. 13(1):251-257. https://doi.org/10.1021/acs.jpclett.1c03534 | es_ES |
dc.description.accrualMethod | S | es_ES |
dc.relation.publisherversion | https://doi.org/10.1021/acs.jpclett.1c03534 | es_ES |
dc.description.upvformatpinicio | 251 | es_ES |
dc.description.upvformatpfin | 257 | es_ES |
dc.type.version | info:eu-repo/semantics/publishedVersion | es_ES |
dc.description.volume | 13 | es_ES |
dc.description.issue | 1 | es_ES |
dc.identifier.pmid | 34968067 | es_ES |
dc.identifier.pmcid | PMC9135321 | es_ES |
dc.relation.pasarela | S\461467 | es_ES |
dc.contributor.funder | MINECO | es_ES |
dc.contributor.funder | European Commission | es_ES |
dc.contributor.funder | Generalitat Valenciana | es_ES |
dc.contributor.funder | Agencia Estatal de Investigación | es_ES |
dc.contributor.funder | European Regional Development Fund | es_ES |
dc.contributor.funder | Ministerio de Ciencia e Innovación | es_ES |
dc.contributor.funder | Ministerio de Ciencia, Innovación y Universidades | es_ES |