Electron holes in G-Quadruplexes: The role of adenine ending groups

The study deals with four-stranded DNA structures (G-Quadruplexes), known to undergo ionization upon direct absorption of low-energy UV photons. Combining quantum chemistry calculations and time-resolved absorption spectroscopy with 266 nm excitation, it focuses on the electron holes generated in te...

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Detalles Bibliográficos
Autores: Balanikas, Evangelos, Martínez Fernández, Lara, Baldacchino, Gérard, Markovitsi, Dimitra
Tipo de recurso: artículo
Fecha de publicación:2021
País:España
Institución:Universidad Autónoma de Madrid
Repositorio:Biblos-e Archivo. Repositorio Institucional de la UAM
Idioma:inglés
OAI Identifier:oai:repositorio.uam.es:10486/704468
Acceso en línea:http://hdl.handle.net/10486/704468
https://dx.doi.org/10.3390/ijms222413436
Access Level:acceso abierto
Palabra clave:Adenine
Cation
Deoxyguanosine Phosphate
Guanine
Guanine Quadruplex
Absorption Spectroscopy
Anisotropy
Deprotonation
DNA Structure
Electron
Oxidative Stress
Química
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spelling Electron holes in G-Quadruplexes: The role of adenine ending groupsBalanikas, EvangelosMartínez Fernández, LaraBaldacchino, GérardMarkovitsi, DimitraAdenineCationDeoxyguanosine PhosphateGuanineGuanine QuadruplexAbsorption SpectroscopyAnisotropyDeprotonationDNA StructureElectronOxidative StressQuímicaThe study deals with four-stranded DNA structures (G-Quadruplexes), known to undergo ionization upon direct absorption of low-energy UV photons. Combining quantum chemistry calculations and time-resolved absorption spectroscopy with 266 nm excitation, it focuses on the electron holes generated in tetramolecular systems with adenine groups at the ends. Our computations show that the electron hole is placed in a single guanine site, whose location depends on the position of the adenines at the 3′ or 5′ ends. This position also affects significantly the electronic absorption spectrum of (G+ )• radical cations. Their decay is highly anisotropic, composed of a fast process (<2 µs), followed by a slower one occurring in ~20 µs. On the one hand, they undergo deprotonation to (G-H2)• radicals and, on the other, they give rise to a reaction product absorbing in the 300–500 nm spectral domainMDPIDepartamento de QuímicaFacultad de Ciencias20212021-12-14research articlehttp://purl.org/coar/resource_type/c_2df8fbb1VoRhttp://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10486/704468https://dx.doi.org/10.3390/ijms222413436reponame:Biblos-e Archivo. Repositorio Institucional de la UAMinstname:Universidad Autónoma de MadridInglésengEuropean Commission http://dx.doi.org/10.13039/501100000780 Horizon 2020 Framework Programme 765266open accesshttp://purl.org/coar/access_right/c_abf2info:eu-repo/semantics/openAccessoai:repositorio.uam.es:10486/7044682026-06-23T12:46:27Z
dc.title.none.fl_str_mv Electron holes in G-Quadruplexes: The role of adenine ending groups
title Electron holes in G-Quadruplexes: The role of adenine ending groups
spellingShingle Electron holes in G-Quadruplexes: The role of adenine ending groups
Balanikas, Evangelos
Adenine
Cation
Deoxyguanosine Phosphate
Guanine
Guanine Quadruplex
Absorption Spectroscopy
Anisotropy
Deprotonation
DNA Structure
Electron
Oxidative Stress
Química
title_short Electron holes in G-Quadruplexes: The role of adenine ending groups
title_full Electron holes in G-Quadruplexes: The role of adenine ending groups
title_fullStr Electron holes in G-Quadruplexes: The role of adenine ending groups
title_full_unstemmed Electron holes in G-Quadruplexes: The role of adenine ending groups
title_sort Electron holes in G-Quadruplexes: The role of adenine ending groups
dc.creator.none.fl_str_mv Balanikas, Evangelos
Martínez Fernández, Lara
Baldacchino, Gérard
Markovitsi, Dimitra
author Balanikas, Evangelos
author_facet Balanikas, Evangelos
Martínez Fernández, Lara
Baldacchino, Gérard
Markovitsi, Dimitra
author_role author
author2 Martínez Fernández, Lara
Baldacchino, Gérard
Markovitsi, Dimitra
author2_role author
author
author
dc.contributor.none.fl_str_mv Departamento de Química
Facultad de Ciencias
dc.subject.none.fl_str_mv Adenine
Cation
Deoxyguanosine Phosphate
Guanine
Guanine Quadruplex
Absorption Spectroscopy
Anisotropy
Deprotonation
DNA Structure
Electron
Oxidative Stress
Química
topic Adenine
Cation
Deoxyguanosine Phosphate
Guanine
Guanine Quadruplex
Absorption Spectroscopy
Anisotropy
Deprotonation
DNA Structure
Electron
Oxidative Stress
Química
description The study deals with four-stranded DNA structures (G-Quadruplexes), known to undergo ionization upon direct absorption of low-energy UV photons. Combining quantum chemistry calculations and time-resolved absorption spectroscopy with 266 nm excitation, it focuses on the electron holes generated in tetramolecular systems with adenine groups at the ends. Our computations show that the electron hole is placed in a single guanine site, whose location depends on the position of the adenines at the 3′ or 5′ ends. This position also affects significantly the electronic absorption spectrum of (G+ )• radical cations. Their decay is highly anisotropic, composed of a fast process (<2 µs), followed by a slower one occurring in ~20 µs. On the one hand, they undergo deprotonation to (G-H2)• radicals and, on the other, they give rise to a reaction product absorbing in the 300–500 nm spectral domain
publishDate 2021
dc.date.none.fl_str_mv 2021
2021-12-14
dc.type.none.fl_str_mv research article
http://purl.org/coar/resource_type/c_2df8fbb1
VoR
http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv http://hdl.handle.net/10486/704468
https://dx.doi.org/10.3390/ijms222413436
url http://hdl.handle.net/10486/704468
https://dx.doi.org/10.3390/ijms222413436
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.relation.none.fl_str_mv European Commission http://dx.doi.org/10.13039/501100000780 Horizon 2020 Framework Programme 765266
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv MDPI
publisher.none.fl_str_mv MDPI
dc.source.none.fl_str_mv reponame:Biblos-e Archivo. Repositorio Institucional de la UAM
instname:Universidad Autónoma de Madrid
instname_str Universidad Autónoma de Madrid
reponame_str Biblos-e Archivo. Repositorio Institucional de la UAM
collection Biblos-e Archivo. Repositorio Institucional de la UAM
repository.name.fl_str_mv
repository.mail.fl_str_mv
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