ArticleInternational journal of molecular sciences2021
Geant4-DNA Modeling of Water Radiolysis beyond the Microsecond: An On-Lattice Stochastic Approach.
Article in International journal of molecular sciences, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed.
- A GPU-based Monte Carlo model for water radiolysis under ultra-high dose rate irradiation: Development and validation with MPEXS2.1-DNA.Medical physics · 2025Article
- Article
- An Anti-HIV Drug Is Highly Effective Against SARS-CoV-2 In Vitro and Has Potential Benefit for Long COVID Treatment.Viruses · 2025Article
- The role of coating layers in gold nanorods' radioenhancement: a Monte Carlo analysis.Nanoscale advances · 2025Article
- Investigation of hydrogen peroxide yields and oxygen consumption in high dose rate irradiation: a TOPAS-nBio Monte Carlo study.Physics in medicine and biology · 2024Article
- Investigating ultra-high dose rate water radiolysis using the Geant4-DNA toolkit and a Geant4 model of the Oriatron eRT6 electron linac.Scientific reports · 2024Article
- Review of chemical models and applications in Geant4-DNA: Report from the ESA BioRad III Project.Medical physics · 2024Review
- Efficient computational modeling of electronic stopping power of organic polymers for proton therapy optimization.Scientific reports · 2024Article
- A new approach for simulating inhomogeneous chemical kinetics.Scientific reports · 2023Article
- TRAX-CHEMxt: Towards the Homogeneous Chemical Stage of Radiation Damage.International journal of molecular sciences · 2023Article
- Application of Geant4-DNA for simulating water radiolysis induced by Auger electron-emitting radionuclides.Journal of radiation research · 2023Article
- A potential revolution in cancer treatment: A topical review of FLASH radiotherapy.Journal of applied clinical medical physics · 2022Review
- The OpenGATE ecosystem for Monte Carlo simulation in medical physics.Physics in medicine and biology · 2022Review
- Review of the Geant4-DNA Simulation Toolkit for Radiobiological Applications at the Cellular and DNA Level.Cancers · 2021Review
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Authors and funding
5 authors.
Funding
Abstract
In this work, we use the next sub-volume method (NSM) to investigate the possibility of using the compartment-based ("on-lattice") model to simulate water radiolysis. We, first, start with a brief description of the reaction-diffusion master equation (RDME) in a spatially discretized simulation volume ("mesh"), which is divided into sub-volumes (or "voxels"). We then discuss the choice of voxel size and merging technique of a given mesh, along with the evolution of the system using the hierarchical algorithm for the RDME ("hRDME"). Since the compartment-based model cannot describe high concentration species of early radiation-induced spurs, we propose a combination of the particle-based step-by-step ("SBS") Brownian dynamics model and the compartment-based model ("SBS-RDME model") for the simulation. We, finally, use the particle-based SBS Brownian dynamics model of Geant4-DNA as a reference to test the model implementation through several benchmarks. We find that the compartment-based model can efficiently simulate the system with a large number of species and for longer timescales, beyond the microsecond, with a reasonable computing time. Our aim in developing this model is to study the production and evolution of reactive oxygen species generated under irradiation with different dose rate conditions, such as in FLASH and conventional radiotherapy.
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