Molecular scale track structure simulations in liquid water using the Geant4-DNA Monte-Carlo processes

Francis, Z.; Incerti, S.; Capra, R.; Mascialino, B.; Montarou, G.; Štěpán, Václav; Villagrasa, C.

doi:10.1016/j.apradiso.2010.08.011

Cited by 74 publications

(67 citation statements)

References 47 publications

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“…Three elastic scattering models are provided, either derived from a full partial wave analysis for the liquid phase, or from the analytical Screened Rutherford theory with a low energy screening parameter derived from data either in nitrogen gas or in gaseous water [31]. Finally, regarding sub-excitation electrons, vibrational excitation is based on the Michaud et al measurements scaled for the liquid phase, and molecular attachement based on experiments by Melton [36].…”

Section: Physics Modellingmentioning

confidence: 99%

“…This was further improved by including the elastic scattering process in simulations [38]. Nanometric proton energy deposits calculated with Geant4-DNA with the TRIOL code and experiments of Borak et al [92] were also conducted by Francis et al [36]. In addition, Francis et al [40] also presented a Geant4-DNA study of energy depositions due to protons, alpha particles and carbon ions of the same LET in liquid water.…”

Section: Verification and Validation Of Geant4-dna For Hadron Therapymentioning

confidence: 99%

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Review of Geant4-DNA applications for micro and nanoscale simulations

et al. 2016

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Emerging radiotherapy treatments including targeted particle therapy, hadron therapy or radiosensitisation of cells by high-Z nanoparticles demand the theoretical determination of radiation track structure at the nanoscale. This is essential in order to evaluate radiation damage at the cellular and DNA level. Since 2007, Geant4 offers physics models to describe particle interactions in liquid water at the nanometre level through the Geant4-DNA Package. This package currently provides a complete set of models describing the event-byevent electromagnetic interactions of particles with liquid water, as well as developments for the modelling of water radiolysis. Since its release, Geant4-DNA has been adopted as an investigational tool in kV and MV external beam radiotherapy, hadron therapies using protons and heavy ions, targeted therapies and radiobiology studies. It has been benchmarked with respect to other track structure Monte Carlo codes and, where available, against reference experimental measurements. While Geant4-DNA physics models and radiolysis modelling functionalities have already been described in detail in the literature, this review paper summarises and discusses a selection of representative papers with the aim of providing an overview of a) geometrical descriptions of biological targets down to the DNA size, and b) the full spectrum of current micro-and nano-scale applications of Geant4-DNA. Disciplines Engineering | Science and Technology Studies Publication DetailsIncerti, S., Douglass, M., Penfold, S., Guatelli, S. & Bezak, E. (2016). Review of Geant4-DNA applications for micro and nanoscale simulations. Physica Medica: an international journal devoted to the applications of physics to medicine and biology, 32 (10), 1187-1200. AbstractEmerging radiotherapy treatments including targeted particle therapy, hadron therapy or radiosensitisation of cells by high-Z nanoparticles demand the theoretical determination of radiation track structure at the nanoscale. This is essential in order to evaluate radiation damage at the cellular and DNA level. Since 2007, Geant4 offers physics models to describe particle interactions in liquid water at the nanometre level through the Geant4-DNA Package. This package currently provides a complete set of models describing the event-by-event electromagnetic interactions of particles with liquid water, as well as developments for the modelling of water radiolysis.

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Section: Physics Modellingmentioning

confidence: 99%

Section: Verification and Validation Of Geant4-dna For Hadron Therapymentioning

confidence: 99%

Review of Geant4-DNA applications for micro and nanoscale simulations

et al. 2016

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“…Geant4 has been recently extended [5][6][7][8] to handle micro and nanodosimetry applications by the use of *Corresponding author. Email: dos-santos@imnc.in2p3.fr physical processes called Geant4-DNA, that allow simulations with nanometric precision on the energy deposited by ionizing radiation on sub-cellular studies.…”

Section: The Monte Carlo Code Geant4mentioning

confidence: 99%

Influence of the chromatin density on the number of direct clustered damages calculated for proton and alpha irradiations using a Monte Carlo code

Santos

Villagrasa

Clairand

et al. 2014

Progress in Nuclear Science and Technology

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“…The lower energy limit of 4 eV for elastic scattering was reduced to 2 eV, being aware that these cross sections would be extrapolated. Recently, the low-energy excitation cross sections from Michaud et al (2003) were also included in the Geant4-DNA toolkit and were used for the simulation in this work (Francis et al, 2011).…”

Section: Interaction Cross Section Data In Ptra and Geant4-dnamentioning

confidence: 99%

“…Monte Carlo simulations of the track structure of ionising radiation in water medium are traditionally applied to estimate direct DNA damage (Francis et al, 2011;Friedland et al, 1998;Grosswendt, 2002;Nikjoo et al, 2006). Clustered damage occurring on short segments of the DNA (length of a few nanometres) is assumed to be the actuator for subsequent radiobiological effects, such as carcinogenesis or cell death (Goodhead, 2006;Khanna and Jackson, 2001).…”

Section: Introductionmentioning

confidence: 99%

Electron emission from amorphous solid water after proton impact: Benchmarking PTra and Geant4 track structure Monte Carlo simulations

Bug

Rabus

Rosenfeld

2012

Radiation Physics and Chemistry

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Track structure Monte Carlo simulations of ionising radiation in water are often used to estimate radiation damage to DNA. For this purpose, an accurate simulation of the transport of densely ionising low-energy secondary electrons is particularly important, but is impaired by a high uncertainty of the required physical interaction cross section data of liquid water.A possible tool for the verification of the secondary electron transport in a track structure simulation has been suggested by Toburen et al. (2010), who have measured the angle-dependent energy spectra of electrons, emitted from a thin layer of amorphous solid water (ASW) upon a passage of 6. MeV protons.In this work, simulations were performed for the setup of their experiment, using the PTB Track structure code (PTra) and Geant4-DNA. To enable electron transport below the ionisation threshold, additional excitation and dissociative attachment anion states were included in PTra and activated in Geant4. Additionally, a surface potential was considered in both simulations, such that the escape probability for an electron is dependent on its energy and impact angle at the ASW/vacuum interface.For vanishing surface potential, the simulated spectra are in good agreement with the measured spectra for energies above 50. eV. Below, the simulations overestimate the yield of electrons by a factor up to 4 (PTra) or 7 (Geant4-DNA), which is still a better agreement than obtained in previous simulations of this experimental situation. The agreement of the simulations with experimental data was significantly improved by using a steplike increase of the potential energy at the ASW surface. 2012 Elsevier Ltd. AbstractTrack structure Monte Carlo simulations of ionising radiation in water are often used to estimate radiation damage to DNA. For this purpose, an accurate simulation of the transport of densely ionising low-energy secondary electrons is particularly important, but is impaired by a high uncertainty of the required physical interaction cross section data of liquid water.A possible tool for the verification of the secondary electron transport in a track structure simulation has been suggested by Toburen et al. (2010), who have measured the angle-dependent energy spectra of electrons, emitted from a thin layer of amorphous solid water (ASW) upon a passage of 6 MeV protons.In this work, simulations were performed for the setup of their experiment, using the PTB Track structure code (PTra) and Geant4-DNA. To enable electron transport below the ionisation threshold, additional excitation and dissociative attachment anion states were included in PTra and activated in Geant4.Additionally, a surface potential was considered in both simulations, such that the escape probability for an electron is dependent on its energy and impact angle at the ASW/vacuum interface.For vanishing surface potential, the simulated spectra are in good agreement with the measured spectra for energies above 50 eV. Below, the simulations overestimate the yield of electrons by a ...

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Molecular scale track structure simulations in liquid water using the Geant4-DNA Monte-Carlo processes

Cited by 74 publications

References 47 publications

Review of Geant4-DNA applications for micro and nanoscale simulations

Review of Geant4-DNA applications for micro and nanoscale simulations

Influence of the chromatin density on the number of direct clustered damages calculated for proton and alpha irradiations using a Monte Carlo code

Electron emission from amorphous solid water after proton impact: Benchmarking PTra and Geant4 track structure Monte Carlo simulations

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