Recent Developments on gMicroMC: Transport Simulations of Proton and Heavy Ions and Concurrent Transport of Radicals and DNA.
Recent Developments on gMicroMC: Transport Simulations of Proton and Heavy Ions and Concurrent Transport of Radicals and DNA.
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DOI：
10.3390/ijms22126615
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发表时间：
2021-06-21
影响因子：
5.6
通讯作者：
Chi Y
中科院分区：
文献类型：
--
作者：
Lai Y;Jia X;Chi Y
辐射与水和DNA相互作用的机理蒙特卡罗（MC）模拟对于理解电离辐射诱导的生物反应具有重要意义。在我们之前的工作中，我们采用了基于图形处理单元（GPU）的并行计算技术，开发了一种新颖的，高效的，开源的MC模拟工具，gMicroMC，用于模拟电子诱导的DNA损伤。在这项工作中，我们报告了两个新的发展gMicroMC：质子和重离子的传输模拟和自由基在DNA的存在下的并发传输。我们基于带电粒子和水分子之间的电磁相互作用以及自由基和DNA分子之间的化学反应来模拟这些传输。我们的模拟得出的各种物理特性（例如线性能量传递（LET）和颗粒范围）与NIST发布的数据或其他基于CPU的MC包的模拟结果一致。在综合测试情况下，自由基和DNA同时输运对DNA损伤的模拟结果与nBio-Topas模拟结果基本一致。GPU并行计算实现了高计算效率。在水中同时传输100个初始动能为10 MeV的质子需要41 s，在DNA存在下传输10个自由基需要470 s，最多1 µs。
Mechanistic Monte Carlo (MC) simulation of radiation interaction with water and DNA is important for the understanding of biological responses induced by ionizing radiation. In our previous work, we employed the Graphical Processing Unit (GPU)-based parallel computing technique to develop a novel, highly efficient, and open-source MC simulation tool, gMicroMC, for simulating electron-induced DNA damages. In this work, we reported two new developments in gMicroMC: the transport simulation of protons and heavy ions and the concurrent transport of radicals in the presence of DNA. We modeled these transports based on electromagnetic interactions between charged particles and water molecules and the chemical reactions between radicals and DNA molecules. Various physical properties, such as Linear Energy Transfer (LET) and particle range, from our simulation agreed with data published by NIST or simulation results from other CPU-based MC packages. The simulation results of DNA damage under the concurrent transport of radicals and DNA agreed with those from nBio-Topas simulation in a comprehensive testing case. GPU parallel computing enabled high computational efficiency. It took 41 s to simultaneously transport 100 protons with an initial kinetic energy of 10 MeV in water and 470 s to transport 10 radicals up to 1 µs in the presence of DNA.
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使用基于GPU的显微镜蒙特卡洛模拟对氧对氧气的影响进行建模，并在闪光放射疗法中应用。
影响因子：
3.5
作者：
Lai Y;Jia X;Chi Y
通讯作者：
Chi Y
影响因子：
3.8
作者：
Kyriakou, I.;Incerti, S.;Francis, Z.
通讯作者：
Francis, Z.
影响因子：
2.9
作者：
Dingfelder, M;Inokuti, M;Paretzke, HG
通讯作者：
Paretzke, HG
DOI：
10.1016/1359-0189(92)90098-g
发表时间：
1992-01-01
期刊：
NUCLEAR TRACKS AND RADIATION MEASUREMENTS
影响因子：
--
作者：
CUCINOTTA, FA;WILSON, JW;KATZ, R
通讯作者：
KATZ, R
影响因子：
3.4
作者：
Emfietzoglou, Dimitris;Kyriakou, Ioanna;Nikjoo, Hooshang
通讯作者：
Nikjoo, Hooshang