Thermally induced hopping model for long-range triplet excitation energy transfer in DNA

We present a theoretical model for long-range triplet excitation energy transfer in DNA sequences of alternating adenine-thymine steps. It consists of thermally induced hops through thymine bases. Intrastrand hops between thymines separated by an AT step are preferred to interstrand hops between thy...

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Detalles Bibliográficos
Autores: Blancafort San José, Lluís, Voityuk, Alexander A.
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2018
País:España
Institución:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Repositorio:Recercat. Dipósit de la Recerca de Catalunya
OAI Identifier:oai:recercat.cat:10256/15128
Acceso en línea:http://hdl.handle.net/10256/15128
Access Level:acceso abierto
Palabra clave:ADN
DNA
Dinàmica molecular
Molecular dynamics
Transferència de càrrega
Charge transfer
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repository_id_str
spelling Thermally induced hopping model for long-range triplet excitation energy transfer in DNABlancafort San José, LluísVoityuk, Alexander A.ADNDNADinàmica molecularMolecular dynamicsTransferència de càrregaCharge transferWe present a theoretical model for long-range triplet excitation energy transfer in DNA sequences of alternating adenine-thymine steps. It consists of thermally induced hops through thymine bases. Intrastrand hops between thymines separated by an AT step are preferred to interstrand hops between thymines in consecutive steps. Our multi-step mechanism is consistent with recent results (L. Antusch, N. Gass and H.-A. Wagenknecht, Angew. Chem., Int. Ed., 2017, 56, 1385-1389) describing a shallow dependence of triplet sensitized DNA damage relative to the distance between the sensitizer and the reacting thymine-thymine pairFinancial support from the Ministerio de Economı´a y Competitividad (MINECO), Spain (project CTQ2015-69363-P), the Departament d’Innovacio´, Universitats i Empresa (DIUE), Generalitat de Catalunya (Project 2014SGR1202) is gratefully acknowledgedRoyal Society of Chemistry (RSC)Ministerio de Economía y Competitividad (Espanya)2018info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionpeer-reviewedapplication/pdfhttp://hdl.handle.net/10256/15128http://hdl.handle.net/10256/15128Physical Chemistry Chemical Physics, 2018, vol. 20, núm. 7, p. 4997-5000Articles publicats (D-Q)reponame:Recercat. Dipósit de la Recerca de Catalunyainstname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)Inglésinfo:eu-repo/semantics/altIdentifier/doi/10.1039/C7CP07811Kinfo:eu-repo/semantics/altIdentifier/issn/1463-9076info:eu-repo/semantics/altIdentifier/eissn/1463-9084info:eu-repo/grantAgreement/MINECO//CTQ2015-69363-PAttribution-NonCommercial 3.0 Spainhttp://creativecommons.org/licenses/by-nc/3.0/es/info:eu-repo/semantics/openAccessoai:recercat.cat:10256/151282026-05-29T05:05:01Z
dc.title.none.fl_str_mv Thermally induced hopping model for long-range triplet excitation energy transfer in DNA
title Thermally induced hopping model for long-range triplet excitation energy transfer in DNA
spellingShingle Thermally induced hopping model for long-range triplet excitation energy transfer in DNA
Blancafort San José, Lluís
ADN
DNA
Dinàmica molecular
Molecular dynamics
Transferència de càrrega
Charge transfer
title_short Thermally induced hopping model for long-range triplet excitation energy transfer in DNA
title_full Thermally induced hopping model for long-range triplet excitation energy transfer in DNA
title_fullStr Thermally induced hopping model for long-range triplet excitation energy transfer in DNA
title_full_unstemmed Thermally induced hopping model for long-range triplet excitation energy transfer in DNA
title_sort Thermally induced hopping model for long-range triplet excitation energy transfer in DNA
dc.creator.none.fl_str_mv Blancafort San José, Lluís
Voityuk, Alexander A.
author Blancafort San José, Lluís
author_facet Blancafort San José, Lluís
Voityuk, Alexander A.
author_role author
author2 Voityuk, Alexander A.
author2_role author
dc.contributor.none.fl_str_mv Ministerio de Economía y Competitividad (Espanya)
dc.subject.none.fl_str_mv ADN
DNA
Dinàmica molecular
Molecular dynamics
Transferència de càrrega
Charge transfer
topic ADN
DNA
Dinàmica molecular
Molecular dynamics
Transferència de càrrega
Charge transfer
description We present a theoretical model for long-range triplet excitation energy transfer in DNA sequences of alternating adenine-thymine steps. It consists of thermally induced hops through thymine bases. Intrastrand hops between thymines separated by an AT step are preferred to interstrand hops between thymines in consecutive steps. Our multi-step mechanism is consistent with recent results (L. Antusch, N. Gass and H.-A. Wagenknecht, Angew. Chem., Int. Ed., 2017, 56, 1385-1389) describing a shallow dependence of triplet sensitized DNA damage relative to the distance between the sensitizer and the reacting thymine-thymine pair
publishDate 2018
dc.date.none.fl_str_mv 2018
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
peer-reviewed
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10256/15128
http://hdl.handle.net/10256/15128
url http://hdl.handle.net/10256/15128
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1039/C7CP07811K
info:eu-repo/semantics/altIdentifier/issn/1463-9076
info:eu-repo/semantics/altIdentifier/eissn/1463-9084
info:eu-repo/grantAgreement/MINECO//CTQ2015-69363-P
dc.rights.none.fl_str_mv Attribution-NonCommercial 3.0 Spain
http://creativecommons.org/licenses/by-nc/3.0/es/
info:eu-repo/semantics/openAccess
rights_invalid_str_mv Attribution-NonCommercial 3.0 Spain
http://creativecommons.org/licenses/by-nc/3.0/es/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Royal Society of Chemistry (RSC)
publisher.none.fl_str_mv Royal Society of Chemistry (RSC)
dc.source.none.fl_str_mv Physical Chemistry Chemical Physics, 2018, vol. 20, núm. 7, p. 4997-5000
Articles publicats (D-Q)
reponame:Recercat. Dipósit de la Recerca de Catalunya
instname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
instname_str Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
reponame_str Recercat. Dipósit de la Recerca de Catalunya
collection Recercat. Dipósit de la Recerca de Catalunya
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15.198674

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