ArticleRadiation and environmental biophysics2011
A Monte-Carlo step-by-step simulation code of the non-homogeneous chemistry of the radiolysis of water and aqueous solutions. Part I: theoretical framework and implementation.
Article in Radiation and environmental biophysics, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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13 citing papers in PubMed.
- Effect of FLASH dose-rate and oxygen concentration in the production of HPhysics in medicine and biology · 2025Article
- Modeling the oxygen effect in DNA strand break induced by gamma-rays with TOPAS-nBio.Physics in medicine and biology · 2024Article
- GEANT4-DNA simulation of temperature-dependent and pH-dependent yields of chemical radiolytic species.Physics in medicine and biology · 2023Article
- An integrated Monte Carlo track-structure simulation framework for modeling inter and intra-track effects on homogenous chemistry.Physics in medicine and biology · 2023Article
- TRAX-CHEMxt: Towards the Homogeneous Chemical Stage of Radiation Damage.International journal of molecular sciences · 2023Article
- Mechanistic modelling of oxygen enhancement ratio of radiation via Monte Carlo simulation-based DNA damage calculation.Physics in medicine and biology · 2022Article
- DNA damage modeled with Geant4-DNA: effects of plasmid DNA conformation and experimental conditions.Physics in medicine and biology · 2021Article
- Modeling the effect of oxygen on the chemical stage of water radiolysis using GPU-based microscopic Monte Carlo simulations, with an application in FLASH radiotherapy.Physics in medicine and biology · 2021Article
- Quantitative estimation of track segment yields of water radiolysis species under heavy ions around Bragg peak energies using Geant4-DNA.Scientific reports · 2021Article
- Generalized stochastic microdosimetric model: The main formulation.Physical review. E · 2021Article
- Monte Carlo simulation of chemistry following radiolysis with TOPAS-nBio.Physics in medicine and biology · 2018Article
- Accelerated Monte Carlo simulation on the chemical stage in water radiolysis using GPU.Physics in medicine and biology · 2017Article
- A Monte-Carlo step-by-step simulation code of the non-homogeneous chemistry of the radiolysis of water and aqueous solutions--Part II: calculation of radiolytic yields under different conditions of LET, pH, and temperature.Radiation and environmental biophysics · 2011Article
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Abstract
The importance of the radiolysis of water in irradiation of biological systems has motivated considerable theoretical and experimental work in the radiation chemistry of water and aqueous solutions. In particular, Monte-Carlo simulations of radiation track structure and non-homogeneous chemistry have greatly contributed to the understanding of experimental results in radiation chemistry of heavy ions. Actually, most simulations of the non-homogeneous chemistry are done using the Independent Reaction Time (IRT) method, a very fast technique. The main limitation of the IRT method is that the positions of the radiolytic species are not calculated as a function of time, which is needed to simulate the irradiation of more complex systems. Step-by-step (SBS) methods, which are able to provide such information, have been used only sparsely because these are time consuming in terms of calculation. Recent improvements in computer performance now allow the regular use of the SBS method in radiation chemistry. In the present paper, the first of a series of two, the SBS method is reviewed in detail. To these ends, simulation of diffusion of particles and chemical reactions in aqueous solutions is reviewed, and implementation of the program is discussed. Simulation of model systems is then performed to validate the adequacy of stepwise diffusion and reaction schemes. In the second paper, radiochemical yields of simulated radiation tracks calculated by the SBS program in different conditions of LET, pH, and temperature are compared with results from the IRT program and experimental data.
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