Theoretical predictions for ionization cross sections of DNA nucleobases impacted by light ions

Autores
Champion, C.; Lekadir, H.; Galassi, Mariel Elisa; Fojon, Omar Ariel; Rivarola, Roberto Daniel; Hanssen, Jocelyn
Año de publicación
2010
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Induction of DNA double strand breaks after irradiation is considered of prime importance for producing radio-induced cellular death or injury. However, up to now ion-induced collisions on DNA bases remain essentially experimentally approached and a theoretical model for cross section calculation is still lacking. Under these conditions, we here propose a quantum mechanical description of the ionization process induced by light bare ions on DNA bases. Theoretical predictions in terms of differential and total cross sections for proton, α-particle and bare ion carbon beams impacting on adenine, cytosine, thymine and guanine bases are then reported in the 10 keV amu−1–10 MeV amu−1 energy range. The calculations are performed within the first-order Born approximation (FBA) with biological targets described at the restricted Hartree–Fock level with geometry optimization. Comparisons to recent theoretical data for collisions between protons and cytosine point out huge discrepancies in terms of differential as well as total cross sections whereas very good agreement is shown with our previous classical predictions, especially at high impact energies (Ei ⩾ 100 keV amu−1). Finally, in comparison to the rare existing experimental data a systematic underestimation is observed in particular for adenine and thymine whereas a good agreement is reported for cytosine. Thus, further improvements appear as necessary, in particular by using higher order theories like the continuum-distorted-wave one in order to obtain a better understanding of the underlying physics involved in such ion-DNA reactions.
Fil: Champion, C.. Université Paul Verlaine-Metz; Francia
Fil: Lekadir, H.. Université Paul Verlaine-Metz; Francia
Fil: Galassi, Mariel Elisa. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; Argentina
Fil: Fojon, Omar Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; Argentina
Fil: Rivarola, Roberto Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; Argentina
Fil: Hanssen, Jocelyn. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; Argentina. Université Paul Verlaine-Metz; Francia
Materia
DNA
Ionaization
Cross sections
Ion
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/279101
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/279101
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Theoretical predictions for ionization cross sections of DNA nucleobases impacted by light ionsChampion, C.Lekadir, H.Galassi, Mariel ElisaFojon, Omar ArielRivarola, Roberto DanielHanssen, JocelynDNAIonaizationCross sectionsIonhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Induction of DNA double strand breaks after irradiation is considered of prime importance for producing radio-induced cellular death or injury. However, up to now ion-induced collisions on DNA bases remain essentially experimentally approached and a theoretical model for cross section calculation is still lacking. Under these conditions, we here propose a quantum mechanical description of the ionization process induced by light bare ions on DNA bases. Theoretical predictions in terms of differential and total cross sections for proton, α-particle and bare ion carbon beams impacting on adenine, cytosine, thymine and guanine bases are then reported in the 10 keV amu−1–10 MeV amu−1 energy range. The calculations are performed within the first-order Born approximation (FBA) with biological targets described at the restricted Hartree–Fock level with geometry optimization. Comparisons to recent theoretical data for collisions between protons and cytosine point out huge discrepancies in terms of differential as well as total cross sections whereas very good agreement is shown with our previous classical predictions, especially at high impact energies (Ei ⩾ 100 keV amu−1). Finally, in comparison to the rare existing experimental data a systematic underestimation is observed in particular for adenine and thymine whereas a good agreement is reported for cytosine. Thus, further improvements appear as necessary, in particular by using higher order theories like the continuum-distorted-wave one in order to obtain a better understanding of the underlying physics involved in such ion-DNA reactions.Fil: Champion, C.. Université Paul Verlaine-Metz; FranciaFil: Lekadir, H.. Université Paul Verlaine-Metz; FranciaFil: Galassi, Mariel Elisa. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; ArgentinaFil: Fojon, Omar Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; ArgentinaFil: Rivarola, Roberto Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; ArgentinaFil: Hanssen, Jocelyn. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; Argentina. Université Paul Verlaine-Metz; FranciaIOP Publishing2010-09info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/279101Champion, C.; Lekadir, H.; Galassi, Mariel Elisa; Fojon, Omar Ariel; Rivarola, Roberto Daniel; et al.; Theoretical predictions for ionization cross sections of DNA nucleobases impacted by light ions; IOP Publishing; Physics In Medicine And Biology; 55; 20; 9-2010; 6053-60670031-9155CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://iopscience.iop.org/article/10.1088/0031-9155/55/20/002info:eu-repo/semantics/altIdentifier/doi/10.1088/0031-9155/55/20/002info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2026-01-14T12:34:55Zoai:ri.conicet.gov.ar:11336/279101instacron: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:34982026-01-14 12:34:56.087CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Theoretical predictions for ionization cross sections of DNA nucleobases impacted by light ions
title Theoretical predictions for ionization cross sections of DNA nucleobases impacted by light ions
spellingShingle Theoretical predictions for ionization cross sections of DNA nucleobases impacted by light ions
Champion, C.
DNA
Ionaization
Cross sections
Ion
title_short Theoretical predictions for ionization cross sections of DNA nucleobases impacted by light ions
title_full Theoretical predictions for ionization cross sections of DNA nucleobases impacted by light ions
title_fullStr Theoretical predictions for ionization cross sections of DNA nucleobases impacted by light ions
title_full_unstemmed Theoretical predictions for ionization cross sections of DNA nucleobases impacted by light ions
title_sort Theoretical predictions for ionization cross sections of DNA nucleobases impacted by light ions
dc.creator.none.fl_str_mv Champion, C.
Lekadir, H.
Galassi, Mariel Elisa
Fojon, Omar Ariel
Rivarola, Roberto Daniel
Hanssen, Jocelyn
author Champion, C.
author_facet Champion, C.
Lekadir, H.
Galassi, Mariel Elisa
Fojon, Omar Ariel
Rivarola, Roberto Daniel
Hanssen, Jocelyn
author_role author
author2 Lekadir, H.
Galassi, Mariel Elisa
Fojon, Omar Ariel
Rivarola, Roberto Daniel
Hanssen, Jocelyn
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv DNA
Ionaization
Cross sections
Ion
topic DNA
Ionaization
Cross sections
Ion
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Induction of DNA double strand breaks after irradiation is considered of prime importance for producing radio-induced cellular death or injury. However, up to now ion-induced collisions on DNA bases remain essentially experimentally approached and a theoretical model for cross section calculation is still lacking. Under these conditions, we here propose a quantum mechanical description of the ionization process induced by light bare ions on DNA bases. Theoretical predictions in terms of differential and total cross sections for proton, α-particle and bare ion carbon beams impacting on adenine, cytosine, thymine and guanine bases are then reported in the 10 keV amu−1–10 MeV amu−1 energy range. The calculations are performed within the first-order Born approximation (FBA) with biological targets described at the restricted Hartree–Fock level with geometry optimization. Comparisons to recent theoretical data for collisions between protons and cytosine point out huge discrepancies in terms of differential as well as total cross sections whereas very good agreement is shown with our previous classical predictions, especially at high impact energies (Ei ⩾ 100 keV amu−1). Finally, in comparison to the rare existing experimental data a systematic underestimation is observed in particular for adenine and thymine whereas a good agreement is reported for cytosine. Thus, further improvements appear as necessary, in particular by using higher order theories like the continuum-distorted-wave one in order to obtain a better understanding of the underlying physics involved in such ion-DNA reactions.
Fil: Champion, C.. Université Paul Verlaine-Metz; Francia
Fil: Lekadir, H.. Université Paul Verlaine-Metz; Francia
Fil: Galassi, Mariel Elisa. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; Argentina
Fil: Fojon, Omar Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; Argentina
Fil: Rivarola, Roberto Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; Argentina
Fil: Hanssen, Jocelyn. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; Argentina. Université Paul Verlaine-Metz; Francia
description Induction of DNA double strand breaks after irradiation is considered of prime importance for producing radio-induced cellular death or injury. However, up to now ion-induced collisions on DNA bases remain essentially experimentally approached and a theoretical model for cross section calculation is still lacking. Under these conditions, we here propose a quantum mechanical description of the ionization process induced by light bare ions on DNA bases. Theoretical predictions in terms of differential and total cross sections for proton, α-particle and bare ion carbon beams impacting on adenine, cytosine, thymine and guanine bases are then reported in the 10 keV amu−1–10 MeV amu−1 energy range. The calculations are performed within the first-order Born approximation (FBA) with biological targets described at the restricted Hartree–Fock level with geometry optimization. Comparisons to recent theoretical data for collisions between protons and cytosine point out huge discrepancies in terms of differential as well as total cross sections whereas very good agreement is shown with our previous classical predictions, especially at high impact energies (Ei ⩾ 100 keV amu−1). Finally, in comparison to the rare existing experimental data a systematic underestimation is observed in particular for adenine and thymine whereas a good agreement is reported for cytosine. Thus, further improvements appear as necessary, in particular by using higher order theories like the continuum-distorted-wave one in order to obtain a better understanding of the underlying physics involved in such ion-DNA reactions.
publishDate 2010
dc.date.none.fl_str_mv 2010-09
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/11336/279101
Champion, C.; Lekadir, H.; Galassi, Mariel Elisa; Fojon, Omar Ariel; Rivarola, Roberto Daniel; et al.; Theoretical predictions for ionization cross sections of DNA nucleobases impacted by light ions; IOP Publishing; Physics In Medicine And Biology; 55; 20; 9-2010; 6053-6067
0031-9155
CONICET Digital
CONICET
url http://hdl.handle.net/11336/279101
identifier_str_mv Champion, C.; Lekadir, H.; Galassi, Mariel Elisa; Fojon, Omar Ariel; Rivarola, Roberto Daniel; et al.; Theoretical predictions for ionization cross sections of DNA nucleobases impacted by light ions; IOP Publishing; Physics In Medicine And Biology; 55; 20; 9-2010; 6053-6067
0031-9155
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://iopscience.iop.org/article/10.1088/0031-9155/55/20/002
info:eu-repo/semantics/altIdentifier/doi/10.1088/0031-9155/55/20/002
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv IOP Publishing
publisher.none.fl_str_mv IOP Publishing
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
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score 13.071171

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