Abstract
This paper demonstrates the impact of the pre-chemical stage, especially the dissociation
scheme and the associated probabilities, on water radiolysis simulation using the
Geant4-DNA Monte Carlo track structure simulation toolkit. The models and parameters
provided by TRACs have been collected and implemented into Geant4-DNA. In order to
evaluate their influence on water radiolysis simulation, the radiochemical yields
(G-values) are evaluated as a function of time and LET using the “chem6” Geant4-DNA
example, and they are compared with published experimental and calculated data. The
new pre-chemical models lead to a better agreement with literature data than the default
pre-chemical models of Geant4-DNA, especially for OH radicals and H2O2. The revised chemistry constructor “G4EmDNAChemistry_option3” is available in Geant4-DNA
version 10.7.
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References
- Assessing cancer risks of low-dose radiation.Nat Rev Cancer. 2009; 9: 596-604
- Track structure modeling in liquid water: a review of the Geant4-DNA very low energy extension of the Geant4 Monte Carlo simulation toolkit.Phys Med. 2015; 31: 861-874
- Comparison of GEANT4 very low energy cross section models with experimental data in water.Med Phys. 2010; 37: 4692-4708
- The Geant4-DNA project.Int J Model Simul Sci Comput. 2010; 1: 157-178
- Geant4-DNA example applications for track structure simulations in liquid water: a report from the Geant4-DNA Project.Med Phys. 2018; 45: e722-e739
- Time- and space-resolved Monte Carlo study of water radiolysis for photon, electron and ion irradiation.Radiat Environ Biophys. 2009; 48: 11-20
- Monte Carlo simulation of fast electron and proton tracks in liquid water-I. Physical and physicochemical aspects.Radiat Phys Chem. 1998; 51: 229-243
- Track-structure codes in radiation research.Radiat Meas. 2006; 41: 1052-1074
- Monte Carlo role in radiobiological modelling of radiotherapy outcomes.Phys Med Biol. 2012; 57: R75-R97
- Radiation track, DNA damage and response-a review.Rep Prog Phys. 2016; 79116601
- Contributions of direct and indirect actions in cell killing by high-LET radiations.Radiat Res. 2009; 171: 212-218
- Modeling radiation chemistry in the Geant4 toolkit.Prog Nucl Sci Technol. 2011; 2: 503-508
- Radiation chemistry of high-temperature (300–410 deg) water.J Chem Soc Faraday Trans. 1981; 1: 197-215
- Photochemical reactions of ozone in solution.Trans Faraday Soc. 1956; 53: 656-665
- Two-photon dissociation and ionization of liquid water studied by femtosecond transient absorption spectroscopy.J Chem Phys. 1999; 110: 3453-3462
- The yield of oxygen and hydrogen atoms through dissociative recombination of H2O+ ions with electrons.J Chem Phys. 1988; 88: 845-850
- Independent reaction times method in Geant4-DNA: implementation and performance.Med Phys. 2020; 47: 5919-5930
- Development and application of the Geant4-DNA toolkit for the simulation of radiobiological effects at the sub-cellular scale.Bordeaux and Yonsei University, Bordeaux2021
- Development of a new Geant4-DNA electron elastic scattering model for liquid-phase water using the ELSEPA code.J Appl Phys. 2018; 124
- Evaluation of the influence of physical and chemical parameters on water radiolysis simulations under MeV electron irradiation using Geant4-DNA.J Appl Phys. 2019; 126
- Rate constants and G-values for the simulation of the radiolysis of light water over the range 0–300 deg.Chalk River Laboratories, Ontario, Canada1994
- Considerations for the independent reaction times and step-by-step methods for radiation chemistry simulations.Radiat Phys Chem. 2017; 139: 157-172
- Diffusion-controlled reactions modeling in Geant4-DNA.J Comput Phys. 2014; 274: 841-882
- Monte Carlo simulation of chemistry following radiolysis with TOPAS-nBio.Phys Med Biol. 2018; 63105014
- Nanosecond pulse radiolysis of aqueous solution containing oproton and hydroxyl radical scavengers.Proc R Soc A. 1972; 328: 9-21
- Picosecond pulse radiolysis. IV. Yield of the solvated electron at 30 picoseconds.J Phys Chem. 1973; 77: 1350-1355
- Formation of primary reducing yields (Geaq- and GH2) in the radiolysis of aqueous solutions of some positive ions.Int J Radiat Phys Chem. 1975; 7: 381-386
- Nanosecond proton pulse radiolysis of aqueous solutions.J Chem Soc Faraday Trans. 1981; 77: 1543-1551
- The yield of hydrated electrons at 30 picoseconds.Chem Lett. 1982; 11: 1887-1890
- Scavenger and time dependences of radicals and molecular products in the electron radiolysis of water: examination of experiments and models.J Phys Chem. 1991; 95: 3196-3206
- Ionizing radiation-liquid interactions: a comparative study of polar liquids.Radiat Phys Chem. 1983; 21: 177-183
- Temperature dependence of g values for H2O and D2O irradiated with low linear energy transfer radiation.J Chem Soc Faraday Trans. 1993; 89: 1193-1197
- Monte Carlo simulation of physicochemical processes of liquid water radiolysis.Radiat Environ Biophys. 1997; 36: 105-116
- Stochastic simulation of the electron radiolysis of water and aqueous solutions.J Phys Chem A. 1997; 101: 5828-5838
- Spur decay of the solvated electron in picosecond radiolysis measured with time-correlated absorption spectroscopy.J Phys Chem A. 2000; 104: 1686-1691
- A new estimate of the OH radical yield at early times in the radiolysis of liquid water.Chem Phys Lett. 2000; 317: 388-391
- OH radicals and oxidizing products in the gamma radiolysis of water.Radiat Res. 2000; 153: 196-200
- A re-evaluation of the initial yield of the hydrated electron in the picosecond time range.Radiat Phys Chem. 2005; 72: 169-172
- Time-dependent yield of the hydrated electron and the hydroxyl radical in D2O: a picosecond pulse radiolysis study.Phys Chem Chem Phys. 2018;
- Radiolysis of neutral water by cyclotron produced deuterons and helium ions.J Am Chem Soc. 1959; 81: 1801-1809
- Theoretical analysis of the LET dependence of transient yields observed in pulse radiolysis with ion beams.Radiat Res. 1979; 77: 47-61
- Effect of radiation type in water radiolysis.J Chem Soc Faraday Trans. 1981; 77: 2803-2813
- Hydrogen peroxide yields in water radiolysis by high-energy ion beams at constant LET.Radiat Phys Chem. 2002; 65: 53-61
- Molecular product and free radical yields in the decomposition of water by protons, deuterons, and helium ions.Radiat Res. 1961; 14: 689-704
- Hydrogen peroxide production in the radiolysis of water with heavy ions.J Phys Chem A. 1999; 103: 1592-1597
- Applications of the spur diffusion model to the radiation chemistry of aqueous solutions.J Phys Chem. 1969; 73: 1928-1937
- Fully integrated Monte Carlo simulation for evaluating radiation induced DNA damage and subsequent repair using Geant4-DNA.Sci Rep. 2020; 10: 20788
- Evaporation, fission and auto-dissociation of doubly charged water.J Electron Spectrosc. 2007; 155: 81-85
- High-LET radiolysis of liquid water with 1H+, 4He2+, 12C6+, and 20Ne9+ ions: effects of multiple ionization.J Phys Chem A. 2005; 109: 6406-6419
Article info
Publication history
Published online: June 28, 2021
Accepted:
May 21,
2021
Received in revised form:
April 12,
2021
Received:
January 25,
2021
Identification
Copyright
© 2021 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.
