A parameter sensitivity study for simulating DNA damage after proton irradiation using TOPAS-nBio.
A parameter sensitivity study for simulating DNA damage after proton irradiation using TOPAS-nBio.
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DOI：
10.1088/1361-6560/ab7a6b
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发表时间：
2020-04-23
影响因子：
3.5
通讯作者：
Schuemann J
中科院分区：
文献类型：
--
作者：
Zhu H;McNamara AL;Ramos-Mendez J;McMahon SJ;Henthorn NT;Faddegon B;Held KD;Perl J;Li J;Paganetti H;Schuemann J
蒙特卡罗（MC）轨道结构模拟工具是一种常用的预测辐射诱导DNA损伤的方法，它通过模拟纳米尺度上的物理和化学反应来实现。然而，这些MC模拟的结果对所采用的参数特别敏感，这些参数在不同的研究中差异很大。在这项研究中，先前开发的核DNA的完整模型被用来描述DNA的几何形状。使用TOPAS-nBio MC工具包研究物理和化学模型以及三个关键参数（直接损伤能量阈值、化学阶段时间长度和羟基自由基与DNA反应之间的损伤概率）对DNA损伤诱导的影响。结果表明，单是物理模型和化学模型的差异就能导致DNA双链断裂（DSB）产率的差异分别高达34%和16%。此外，改变直接损伤阈值、化学阶段长度和羟基损伤概率可以导致本研究中配置的DSB产量预测差异分别高达26%、51%和71%。
Monte Carlo (MC) track structure simulation tools are commonly used for predicting radiation induced DNA damage by modeling the physical and chemical reactions at the nanometer scale. However, the outcome of these MC simulations is particularly sensitive to the adopted parameters which vary significantly across studies. In this study, a previously developed full model of nuclear DNA was used to describe the DNA geometry. The TOPAS-nBio MC toolkit was used to investigate the impact of physics and chemistry models as well as three key parameters (the energy threshold for direct damage, the chemical stage time length, and the probability of damage between hydroxyl radical reactions with DNA) on the induction of DNA damage. Our results show that the difference in physics and chemistry models alone can cause differences up to 34% and 16% in the DNA double strand break (DSB) yield, respectively. Additionally, changing the direct damage threshold, chemical stage length, and hydroxyl damage probability can cause differences of up to 26%, 51%, and 71% in predicted DSB yields, respectively, for the configurations in this study.
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影响因子：
3.8
作者：
Incerti, S.;Ivanchenko, A.;Zacharatou, C.
通讯作者：
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影响因子：
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作者：
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DOI：
10.1016/j.nima.2016.06.125
发表时间：
2016-11-01
影响因子：
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作者：
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通讯作者：
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影响因子：
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作者：
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