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Electron transport in DNA bases: An extension of the Geant4-DNA Monte Carlo toolkit

hal.structure.identifierCentre d'Etudes Nucléaires de Bordeaux Gradignan [CENBG]
dc.contributor.authorZEIN, Sara
hal.structure.identifierCentre de Recherches en Cancérologie de Toulouse [CRCT]
dc.contributor.authorBORDAGE, Marie-Claude
hal.structure.identifierUniversité Saint-Joseph de Beyrouth [USJ]
dc.contributor.authorFRANCIS, Ziad
hal.structure.identifierLaboratoire de Physique et Chimie Théoriques [LPCT]
dc.contributor.authorMACETTI, Giovanni
hal.structure.identifierLaboratoire de Physique et Chimie Théoriques [LPCT]
dc.contributor.authorGENONI, Alessandro
hal.structure.identifierLaboratoire de Physique et Chimie Théoriques [LPCT]
dc.contributor.authorDAL CAPPELLO, Claude
hal.structure.identifierCentre d'Etudes Nucléaires de Bordeaux Gradignan [CENBG]
dc.contributor.authorSHIN, Wook-Geun
hal.structure.identifierCentre d'Etudes Nucléaires de Bordeaux Gradignan [CENBG]
dc.contributor.authorINCERTI, Sébastien
dc.date.issued2021-02
dc.identifier.issn0168-583X
dc.description.abstractEnThe purpose of this work is to extend the Geant4-DNA Monte Carlo toolkit to include electron interactions with the four DNA bases using a set of cross sections recently implemented in Geant-DNA CPA100 models and available for liquid water. Electron interaction cross sections for elastic scattering, ionisation, and electronic excitation were calculated in the four DNA bases adenine, thymine, guanine and cytosine. The electron energy range is extended to include relativistic electrons. Elastic scattering cross sections were calculated using the independent atom model with amplitude derived from ELSEPA code. Relativistic Binary Encounter Bethe Vriens model was used to calculate ionisation cross sections. The electronic excitation cross sections calculations were based on the water cross sections following the same strategy used in CPA100 code. These were implemented within the Geant4-DNA option6 physics constructor to extend its capability of tracking electrons in DNA material in addition to liquid water. Since DNA nucleobases have different molecular structure than water it is important to perform more accurate simulations especially because DNA is considered the most radiosensitive structure in cells. Differential and integrated cross sections calculations were in good agreement with data from the literature for all DNA bases. Stopping power, range and inelastic mean free path calculations in the four DNA bases using this new extension of Geant4-DNA option6 are in good agreement with calculations done by other studies, especially for high energy electrons. Some deviations are shown at the low electron energy range, which could be attributed to the different interaction models. Comparison with water simulations shows obvious difference which emphasizes the need to include DNA bases cross sections in track structure codes for better estimation of radiation effects on biological material.
dc.language.isoen
dc.publisherElsevier
dc.title.enElectron transport in DNA bases: An extension of the Geant4-DNA Monte Carlo toolkit
dc.typeArticle de revue
dc.identifier.doi10.1016/j.nimb.2020.11.021
dc.subject.halChimie/Chimie théorique et/ou physique
dc.subject.halChimie/Cristallographie
dc.subject.halSciences du Vivant [q-bio]/Biochimie, Biologie Moléculaire/Biologie structurale [q-bio.BM]
dc.subject.halPhysique [physics]/Physique [physics]/Chimie-Physique [physics.chem-ph]
dc.identifier.arxiv2010.15055
bordeaux.journalNuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms
bordeaux.page70-82
bordeaux.volume488
bordeaux.peerReviewedoui
hal.identifierhal-03103859
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-03103859v1
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