目的:跨学科科学界对实现辐射引起的生物损伤的机械描述表现出了极大的兴趣,旨在预测不同辐射质量暴露产生的生物学结果。蒙特卡洛轨道结构模拟适用于研究早期DNA损伤诱导,用作评估DNA损伤的输入。这项研究提出了名为“dsbandrepair”的Geant4-DNA模拟工具的最新改进。
方法:\"dsbandrepair\"是一种基于先前代码(FullSim)的蒙特卡洛模拟工具,用于估计早期DNA单链断裂(SSB)和双链断裂(DSB)的诱导。它使用DNAFabric计算工具生成的DNA几何形状来模拟早期单链断裂(SSB)和双链断裂(DSB)的诱导。此外,新工具包括一些已发表的用于生存分数和未重新加入的DSB的放射生物学模型.对含有异染色质和常染色质的人成纤维细胞和人脐静脉内皮细胞进行了应用。此外,这个新版本提供了使用新的IRT-syn方法计算化学阶段的可能性。
结果:直接和间接的链断裂,SSB,DSB,和损伤的复杂性,在这项工作中获得的是相当于那些获得与以前出版的模拟工具时,在物理和化学阶段使用相同的配置。存活分数和未重新连接的DSB的模拟结果与实验数据合理吻合。
结论:\"dsbandrepair\"是模拟DNA损伤和修复的工具,以实验数据为基准。它已在Geant4.11.2中作为高级示例发布。
OBJECTIVE: Interdisciplinary scientific communities have shown large interest to achieve a mechanistic description of radiation-induced biological damage, aiming to predict biological results produced by different radiation quality exposures. Monte Carlo track-structure simulations are suitable and reliable for the study of early DNA damage induction used as input for assessing DNA damage. This study presents the most recent improvements of a Geant4-DNA simulation tool named \"dsbandrepair\".
METHODS: \"dsbandrepair\" is a Monte Carlo simulation tool based on a previous code (FullSim) that estimates the induction of early DNA single-strand breaks (SSBs) and double-strand breaks (DSBs). It uses DNA geometries generated by the DNAFabric computational tool for simulating the induction of early single-strand breaks (SSBs) and double-strand breaks (DSBs). Moreover, the new tool includes some published radiobiological models for survival fraction and un-rejoined DSB. Its application for a human fibroblast cell and human umbilical vein endothelial cell containing both heterochromatin and euchromatin was conducted. In addition, this new version offers the possibility of using the new IRT-syn method for computing the chemical stage.
RESULTS: The direct and indirect strand breaks, SSBs, DSBs, and damage complexity obtained in this work are equivalent to those obtained with the previously published simulation tool when using the same configuration in the physical and chemical stages. Simulation results on survival fraction and un-rejoined DSB are in reasonable agreement with experimental data.
CONCLUSIONS: \"dsbandrepair\" is a tool for simulating DNA damage and repair, benchmarked against experimental data. It has been released as an advanced example in Geant4.11.2.