المؤلفون: Zein, Sara A., Bordage, Marie-Claude, Francis, Ziad, Macetti, Giovanni, Genoni, Alessandro, Cappello, Claude Dal, Shin, Wook-Geun, Incerti, Sebastien

مصطلحات موضوعية: Quantitative Biology - Biomolecules, Physics - Chemical Physics

الوصف: The 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.
Comment: 23 pages, 12 figures, 1 table

الوصول الحر: http://arxiv.org/abs/2010.15055Test

المؤلفون: Sakata, Dousatsu, Hirayama, Ryoichi, Shin, Wook-Geun, Belli, Mauro, Tabocchini, Maria A, Stewart, Robert D, Belov, Oleg, Bernal, Mario A, Bordage, Marie-Claude, Brown, Jeremy M.C., Đorđević, Miloš, Emfietzoglou, Dimitris, Francis, Ziad, Guatelli, Susanna, Inaniwa, Taku, Ivanchenko, Vladimir, Karamitros, Mathieu, Kyriakou, Ioanna, Lampe, Nathanael, Li, Zhuxin, Meylan, Sylvain, Michelet, Claire, Nieminen, Petteri, Perrot, Yann, Petrović, Ivan M., Ramos-Mendez, Jose, Ristić-Fira, Aleksandra, Santin, Giovanni, Schuemann, Jan, Tran, Hoang N, Villagrasa, Carmen, Incerti, Sebastien

المصدر: Physica Medica

مصطلحات موضوعية: Cell survival, DNA damage, Geant4-DNA, Monte Carlo simulation

الوصف: Purpose: Track structure Monte Carlo (MC) codes have achieved successful outcomes in the quantitative investigation of radiation-induced initial DNA damage. The aim of the present study is to extend a Geant4-DNA radiobiological application by incorporating a feature allowing for the prediction of DNA rejoining kinetics and corresponding cell surviving fraction along time after irradiation, for a Chinese hamster V79 cell line, which is one of the most popular and widely investigated cell lines in radiobiology. Methods: We implemented the Two-Lesion Kinetics (TLK) model, originally proposed by Stewart, which allows for simulations to calculate residual DNA damage and surviving fraction along time via the number of initial DNA damage and its complexity as inputs. Results: By optimizing the model parameters of the TLK model in accordance to the experimental data on V79, we were able to predict both DNA rejoining kinetics at low linear energy transfers (LET) and cell surviving fraction. Conclusion: This is the first study to demonstrate the implementation of both the cell surviving fraction and the DNA rejoining kinetics with the estimated initial DNA damage, in a realistic cell geometrical model simulated by full track structure MC simulations at DNA level and for various LET. These simulation and model make the link between mechanistic physical/chemical damage processes and these two specific biological endpoints.

العلاقة: info:eu-repo/grantAgreement/MESTD/inst-2020/200017/RS//; Australian Research Council [DP170100967]; JSPS, Japan KAKENHI [JP20K16840]; CNRS PICS #8070 France – Serbia Project; FAPESP Brazil [2011/51594-2]; FAPESP Brazil [2015/21873-8]; FAPESP Brazil [2018/15316-7]; FAPESP Brazil [2020/08647-7]; CNPq Brazil [306298/2018-0]; European Space Agency, France - ESA [4000126645/19/NL/BW]; NIH/NCI [R01 CA187003]; European Space Agency, France - ESA [4000132935/21/NL/CRS, “BioRad III”]; https://vinar.vin.bg.ac.rs/handle/123456789/10573Test; 2-s2.0-85144355232; http://vinar.vin.bg.ac.rs/bitstream/id/27594/PIIS1120179722021032.pdfTest

الإتاحة: https://doi.org/10.1016/j.ejmp.2022.11.012Test
https://vinar.vin.bg.ac.rs/handle/123456789/10573Test
http://vinar.vin.bg.ac.rs/bitstream/id/27594/PIIS1120179722021032.pdfTest

المؤلفون: Zein, Sara, Bordage, Marie-Claude, Tran, Hoang Ngoc, Macetti, Giovanni, Genoni, Alessandro, Dal Cappello, Claude, Incerti, Sébastien

المساهمون: Laboratoire de Physique des Deux Infinis Bordeaux (LP2I - Bordeaux), Université de Bordeaux (UB)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), Centre de Recherches en Cancérologie de Toulouse (CRCT), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physique et Chimie Théoriques (LPCT), Institut de Chimie - CNRS Chimie (INC-CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)

المصدر: ISSN: 0168-583X.

مصطلحات موضوعية: Geant4-DNA, DNA material, Monte Carlo, Electron cross sections, Sampling method, Stopping power, Range, [PHYS]Physics [physics]

الوصف: International audience ; In this study we are introducing an update of the Geant4-DNA physics constructor “option 6” including electron interactions with all constituents of the DNA molecule in addition to those already publicly available for liquid water. The new implementation is based on the interaction cross sections of electrons with the four DNA nucleobases, deoxyribose and phosphoric acid for elastic scattering, electronic excitation and ionisation in the 11 eV – 1 MeV energy range. An additional sampling method to estimate the transferred secondary electron energy produced by ionisation is also introduced and can be optionally activated instead of the classical interpolation method based on the differential cross section tables, thus eliminating the need to upload large data files. The implementation in Geant4-DNA was verified by calculating range and electronic stopping power in the various materials. Good agreement is observed with the data available in the literature, and calculations with the interpolation method and the sampling method showed less than 4% difference. No differences were observed in terms of computational cost.

العلاقة: hal-04131796; https://hal.science/hal-04131796Test; https://hal.science/hal-04131796/documentTest; https://hal.science/hal-04131796/file/Paper_NIMB_Revised_Version2.pdfTest; INSPIRE: 2669510

الإتاحة: https://doi.org/10.1016/j.nimb.2023.06.004Test
https://hal.science/hal-04131796Test
https://hal.science/hal-04131796/documentTest
https://hal.science/hal-04131796/file/Paper_NIMB_Revised_Version2.pdfTest

المؤلفون: Sakata, Dousatsu, Hirayama, Ryoichi, Shin, Wook Geun, Belli, Mauro, Tabocchini, Maria A., Stewart, Robert D., Belov, Oleg, Bernal, Mario A., Bordage, Marie Claude, Brown, Jeremy M.C., Dordevic, Milos, Emfietzoglou, Dimitris, Francis, Ziad, Guatelli, Susanna, Inaniwa, Taku, Ivanchenko, Vladimir, Karamitros, Mathieu, Kyriakou, Ioanna, Lampe, Nathanael, Li, Zhuxin, Meylan, Sylvain, Michelet, Claire, Nieminen, Petteri, Perrot, Yann, Petrovic, Ivan, Ramos-Mendez, Jose, Ristic-Fira, Aleksandra, Santin, Giovanni, Schuemann, Jan

المصدر: Scopus Harvesting Series

الوصف: The authors regret having incorrectly written in equation (7) that the fraction of surviving cells (SF) is obtained using the natural logarithm of the negative value of the number of lethal lesions Lf. The natural logarithm must be replaced by the exponential function as follows: [Formula presented] Although the equation is incorrectly written in the paper, its correct expression has been used in the results of the analysis shown in Figure 4. This error has no impact on the other results and conclusions of the paper. The authors would like to apologise for any inconvenience caused.

العلاقة: https://ro.uow.edu.au/test2021/11882Test; https://doi.org/10.1016/j.ejmp.2024.103375Test

الإتاحة: https://doi.org/10.1016/j.ejmp.2024.103375Test
https://ro.uow.edu.au/test2021/11882Test

المؤلفون: Zein, Sara, Bordage, Marie-Claude, Francis, Ziad, Macetti, Giovanni, Genoni, Alessandro, Dal Cappello, Claude, Shin, Wook-Geun, Incerti, Sébastien

المساهمون: Centre d'Etudes Nucléaires de Bordeaux Gradignan (CENBG), Université Sciences et Technologies - Bordeaux 1 (UB)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), Centre de Recherches en Cancérologie de Toulouse (CRCT), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS), Université Saint-Joseph de Beyrouth (USJ), Laboratoire de Physique et Chimie Théoriques (LPCT), Institut de Chimie - CNRS Chimie (INC-CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)

المصدر: ISSN: 0168-583X.

مصطلحات موضوعية: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [CHIM.CRIS]Chemical Sciences/Cristallography, [SDV.BBM.BS]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Structural Biology [q-bio.BM], [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]

الوصف: International audience ; The 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.

العلاقة: info:eu-repo/semantics/altIdentifier/arxiv/2010.15055; hal-03103859; https://hal.univ-lorraine.fr/hal-03103859Test; https://hal.univ-lorraine.fr/hal-03103859/documentTest; https://hal.univ-lorraine.fr/hal-03103859/file/Paper_NIMB_Electrons_DNA_bases_revised_2.pdfTest; ARXIV: 2010.15055

الإتاحة: https://doi.org/10.1016/j.nimb.2020.11.021Test
https://hal.univ-lorraine.fr/hal-03103859Test
https://hal.univ-lorraine.fr/hal-03103859/documentTest
https://hal.univ-lorraine.fr/hal-03103859/file/Paper_NIMB_Electrons_DNA_bases_revised_2.pdfTest

المؤلفون: Shin, Wook-Geun, Sakata, Dousatsu, Lampe, Nathanael, Belov, Oleg, Tran, Ngoc Hoang, Petrović, Ivan M., Ristić-Fira, Aleksandra, Đorđević, Miloš, Bernal, Mario A., Bordage, Marie-Claude, Francis, Ziad, Kyriakou, Ioanna, Perrot, Yann, Sasaki, Takashi, Villagrasa, Carmen, Guatelli, Susanna, Breton, Vincent, Emfietzoglou, Dimitris, Incerti, Sebastien

المصدر: Cancers

مصطلحات موضوعية: DNA damage, Geant4-DNA, Monte Carlo track structure simulation

الوصف: Accurately modeling the radiobiological mechanisms responsible for the induction of DNA damage remains a major scientific challenge, particularly for understanding the effects of low doses of ionizing radiation on living beings, such as the induction of carcinogenesis. A computational approach based on the Monte Carlo technique to simulate track structures in a biological medium is currently the most reliable method for calculating the early effects induced by ionizing radiation on DNA, the primary cellular target of such effects. The Geant4-DNA Monte Carlo toolkit can simulate not only the physical, but also the physico-chemical and chemical stages of water radiolysis. These stages can be combined with simplified geometric models of biological targets, such as DNA, to assess direct and indirect early DNA damage. In this study, DNA damage induced in a human fibroblast cell was evaluated using Geant4-DNA as a function of incident particle type (gammas, protons, and alphas) and energy. The resulting double-strand break yields as a function of linear energy transfer closely reproduced recent experimental data. Other quantities, such as fragment length distribution, scavengeable damage fraction, and time evolution of damage within an analytical repair model also supported the plausibility of predicting DNA damage using Geant4-DNA.The complete simulation chain application “molecularDNA”, an example for users of Geant4-DNA, will soon be distributed through Geant4.

العلاقة: Ministry of Education, Science & Technological Development, Serbia; European Space Agency[4000126645/19/NL/BW, 4000132935/21/NL/CRS]; FAPESP [2011/51594-2, 2015/21873-8, 2018/15316-7, 2020/08647-7]; CNRS PICS, France-Serbia [8070]; CNPQ [306298/2018-0]; https://vinar.vin.bg.ac.rs/handle/123456789/9961Test; 000708176900001; 2-s2.0-85116003494; http://vinar.vin.bg.ac.rs/bitstream/id/25596/cancers-13-04940-v3.pdfTest

الإتاحة: https://doi.org/10.3390/cancers13194940Test
https://vinar.vin.bg.ac.rs/handle/123456789/9961Test
http://vinar.vin.bg.ac.rs/bitstream/id/25596/cancers-13-04940-v3.pdfTest

المؤلفون: Sakata, Dousatsu, Belov, Oleg, Bordage, Marie-Claude, Emfietzoglou, Dimitris, Guatelli, Susanna, Inaniwa, Taku, Ivanchenko, Vladimir, Karamitros, Mathieu, Kyriakou, Ioanna, Lampe, Nathanael, Petrović, Ivan M., Ristić-Fira, Aleksandra, Shin, Wook-Geun, Incerti, Sebastien

المصدر: Scientific Reports

مصطلحات موضوعية: cells, cross-sections, double-strand breaks, electron-transport, histone h2ax, light-ions, linear-energy-transfer, liquid water, model, track-structure

الوصف: Ionising radiation induced DNA damage and subsequent biological responses to it depend on the radiation's track-structure and its energy loss distribution pattern. To investigate the underlying biological mechanisms involved in such complex system, there is need of predicting biological response by integrated Monte Carlo (MC) simulations across physics, chemistry and biology. Hence, in this work, we have developed an application using the open source Geant4-DNA toolkit to propose a realistic "fully integrated" MC simulation to calculate both early DNA damage and subsequent biological responses with time. We had previously developed an application allowing simulations of radiation induced early DNA damage on a naked cell nucleus model. In the new version presented in this work, we have developed three additional important features: (1) modeling of a realistic cell geometry, (2) inclusion of a biological repair model, (3) refinement of DNA damage parameters for direct damage and indirect damage scoring. The simulation results are validated with experimental data in terms of Single Strand Break (SSB) yields for plasmid and Double Strand Break (DSB) yields for plasmid/human cell. In addition, the yields of indirect DSBs are compatible with the experimental scavengeable damage fraction. The simulation application also demonstrates agreement with experimental data of gamma -H2AX yields for gamma ray irradiation. Using this application, it is now possible to predict biological response along time through track-structure MC simulations.

العلاقة: info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/173046/RS//; info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/171019/RS//; JSPS KAKENHI [No. JP20K16840]; RFBR [No. 7-29-01005-of-m]; ESA [No. 4000126645/19/NL/BW]; Australian Research Council [ARC DP170100967]; CNRS PICS France - Greece [7340, 8235]; CNRS PICS France - Serbia [8070]; https://vinar.vin.bg.ac.rs/handle/123456789/9751Test; 000596311200020; 2-s2.0-85096708840; https://vinar.vin.bg.ac.rs/bitstream/id/24995/Fully_integrated_pub.pdfTest

الإتاحة: https://doi.org/10.1038/s41598-020-75982-xTest
https://vinar.vin.bg.ac.rs/handle/123456789/9751Test
https://vinar.vin.bg.ac.rs/bitstream/id/24995/Fully_integrated_pub.pdfTest

المؤلفون: Bordes, Julien, Incerti, Sébastien, Mora‐ramirez, Erick, Tranel, Jonathan, Rossi, Cédric, Bezombes, Christine, Bordenave, Julie, Bardiès, Manuel, Brown, Richard, Bordage, Marie‐claude

المساهمون: Centre de Recherches en Cancérologie de Toulouse (CRCT), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS), Centre d'Etudes Nucléaires de Bordeaux Gradignan (CENBG), Université Sciences et Technologies - Bordeaux 1 (UB)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS)

المصدر: Med.Phys. ; https://hal.science/hal-02981284Test ; Med.Phys., 2020, mp.14370. ⟨10.1002/mp.14370⟩

مصطلحات موضوعية: [PHYS]Physics [physics]

الوصف: International audience ; Purpose Small‐scale dosimetry studies generally consider an artificial environment where the tumors are spherical and the radionuclides are homogeneously biodistributed. However, tumor shapes are irregular and radiopharmaceutical biodistributions are heterogeneous, impacting the energy deposition in targeted radionuclide therapy. To bring realism, we developed a dosimetric methodology based on a three‐dimensional in vitro model of follicular lymphoma incubated with rituximab, an anti‐CD20 monoclonal antibody used in the treatment of non‐Hodgkin lymphomas, which might be combined with a radionuclide. The effects of the realistic geometry and biodistribution on the absorbed dose were highlighted by comparison with literature data. Additionally, to illustrate the possibilities of this methodology, the effect of different radionuclides on the absorbed dose distribution delivered to the in vitro tumor were compared. Methods The starting point was a model named multicellular aggregates of lymphoma cells (MALC). Three MALCs of different dimensions and their rituximab biodistribution were considered. Geometry, antibody location and concentration were extracted from selective plane illumination microscopy. Assuming antibody radiolabeling with Auger electron (125I and 111In) and β− particle emitters (177Lu, 131I and 90Y), we simulated energy deposition in MALCs using two Monte Carlo codes: Geant4‐DNA with “CPA100” physics models for Auger electron emitters and Geant4 with “Livermore” physics models for β− particle emitters. Results MALCs had ellipsoid‐like shapes with major radii, r, of ~0.25, ~0.5 and ~1.3 mm. Rituximab was concentrated in the periphery of the MALCs. The absorbed doses delivered by 177Lu, 131I and 90Y in MALCs were compared with literature data for spheres with two types of homogeneous biodistributions (on the surface or throughout the volume). Compared to the MALCs, the mean absorbed doses delivered in spheres with surface biodistributions were between 18% and 38% lower, while ...

العلاقة: hal-02981284; https://hal.science/hal-02981284Test; https://hal.science/hal-02981284/documentTest; https://hal.science/hal-02981284/file/hal-02981284.pdfTest; INSPIRE: 1824201

الإتاحة: https://doi.org/10.1002/mp.14370Test
https://hal.science/hal-02981284Test
https://hal.science/hal-02981284/documentTest
https://hal.science/hal-02981284/file/hal-02981284.pdfTest

المؤلفون: Ivanchenko Vladimir, Bagulya Alexander, Bakr Samer, Bandieramonte Marilena, Bernard Denis, Bordage Marie-Claude, Burkhardt Helmut, Dondero Paolo, Grichine Vladimir, Guatelli Susanna, Hřivnáčová Ivana, Incerti Sebastien, Kadri Omrane, Konstantinov Dmitri, Kyriakou Ioanna, Maire Michel, Mantero Alfonso, RamosMendez Jose, Novak Mihaly, Pandola Luciano, Sakata Dousatsu, Sawkey Daren, Semeniouk Igor, Shin Wook Geun, Tran Ngoc Hoang, Urban Laszlo

المصدر: EPJ Web of Conferences, Vol 245, p 02009 (2020)

مصطلحات موضوعية: Physics, QC1-999

الوصف: The Geant4 electromagnetic (EM) physics sub-packages are a component of LHC experiment simulations. During long shutdown 2 for LHC, these packages are under intensive development and we report progress of EM physics in Geant4 versions 10.5 and 10.6, which includes faster computation, more accurate EM models, and extensions to the validation suite. New approaches are developed to simulate radiation damage for silicon vertex detectors and for configuration of multiple scattering per detector region. Improvements in user interfaces developed for low-energy and the Geant4-DNA project are used also for LHC simulation optimisation.

العلاقة: https://www.epj-conferences.org/articles/epjconf/pdf/2020/21/epjconf_chep2020_02009.pdfTest; https://doaj.org/toc/2100-014XTest; https://doaj.org/article/39e21949944f4006b6af4840c1af7887Test

الإتاحة: https://doi.org/10.1051/epjconf/202024502009Test
https://doaj.org/article/39e21949944f4006b6af4840c1af7887Test

المؤلفون: Margis, Stefanos, Kyriakou, Ioanna, Incerti, Sebastien, Bordage, Marie-Claude, Emfietzoglou, Dimitris

المساهمون: Laboratoire de Physique des Deux Infinis Bordeaux (LP2I - Bordeaux), Université de Bordeaux (UB)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), Centre de Recherches en Cancérologie de Toulouse (CRCT), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)

المصدر: ISSN: 0969-8043 ; Applied Radiation and Isotopes ; https://hal.science/hal-03967568Test ; Applied Radiation and Isotopes, 2023, 194, pp.110693. ⟨10.1016/j.apradiso.2023.110693⟩.

مصطلحات موضوعية: [PHYS]Physics [physics], [PHYS.PHYS.PHYS-MED-PH]Physics [physics]/Physics [physics]/Medical Physics [physics.med-ph]

الوصف: International audience ; IntroductionThe electron ionization cross section of water is one of the most important input in Monte Carlo studies of cellular radiobiological effects. Analytical cross section models of the binary-encounter type have the potential of reducing simulation time and facilitate application to a variety of biological materials (other than water). The Binary-Encounter-Bethe (BEB) and Binary-Encounter-Dipole (BED) models of NIST are perhaps the most popular of such models giving reliable results for atoms and molecules in the gas-phase over a wide energy range. However, the use of such models to sub-keV electron energies in liquid water raises concerns due to the neglect of condensed phase effects that leads to a significant overestimation when compared to medium-specific dielectric models.PurposeTo modify the BEB and BED models towards better agreement with the recommended low-energy dielectric model of Geant4-DNA (Option 4). To implement the new modifications to the existing BEB model of the Option 6 physics constructor of Geant4-DNA and re-evaluate fundamental transport quantities for sub-keV electrons.MethodsIn analogy to a Yukawa potential a simple, yet physically-motivated, modification of the Burgess correction term is proposed to account for the reduction of the Coulomb interaction due to the polarizability of the target. The magnitude of the correction is guided by the dielectric-based ionization cross section implemented in Option 4.ResultsDifferential, total and stopping ionization cross sections for low-energy electrons in liquid water are presented. When combined with the Vriens correction (which is not included in Option 6), the proposed modification to the BEB and BED models brings the ionization and stopping cross sections in much better agreement against those used in the Option 4 dielectric model of Geant4-DNA, with up to 30% and 10% deviation, respectively. Implementation of the new correction to the Option 6 constructor of Geant4-DNA and re-evaluation of fundamental ...

العلاقة: hal-03967568; https://hal.science/hal-03967568Test; https://hal.science/hal-03967568/documentTest; https://hal.science/hal-03967568/file/Margis%20et%20al.%20ARI_Revised_Submitted.pdfTest; INSPIRE: 2628916

الإتاحة: https://doi.org/10.1016/j.apradiso.2023.110693Test
https://hal.science/hal-03967568Test
https://hal.science/hal-03967568/documentTest
https://hal.science/hal-03967568/file/Margis%20et%20al.%20ARI_Revised_Submitted.pdfTest