| Hua Ling,Lai Youfang,Kong Xianghui,et al.A simulation study on the impact of nucleotide dihedral angles in DNA models on proton radiobiological effects[J].Chinese Journal of Radiological Medicine and Protection,2024,44(12):991-997 |
| A simulation study on the impact of nucleotide dihedral angles in DNA models on proton radiobiological effects |
| Received:July 31, 2024 |
| DOI：10.3760/cma.j.cn112271-20240731-00294 |
| KeyWords:Proton therapy Double-strand break yields Monte Carlo simulation Track structure DNA model |
| FundProject:国家自然科学基金(12275012、12475309、12411530076,82202941);北京市自然科学基金(Z210008);中央高校基本科研业务费/北京大学临床医学+X青年专项(PKU2024LCXQ033);教育部内地与港澳高等学校师生交流计划项目(万人计划7111400049);国家重点研发计划项目(2019YFF01014405);内蒙古自治区科技计划项目(2022YFSH0064) |
| Author Name | Affiliation | E-mail | | Hua Ling | Institute of Medical Technology, Peking University Health Science Center, Beijing 100191, China | | | Lai Youfang | Department of Technology, CAS Ion Medical Technology Co., Ltd., Beijing 100190, China | | | Kong Xianghui | Department of Health Technology and Informatics, The Hong Kong Polytechnic University, Hong Kong 999077, China | | | Li Tian | Department of Health Technology and Informatics, The Hong Kong Polytechnic University, Hong Kong 999077, China | | | Lin Chen | School of Physics, Peking University, Beijing 100871, China | | | Hu Qiaoqiao | Key Laboratory of Carcinogenesis and Translational Research (Ministry of Education/Beijing), Department of Radiation Oncology, Peking University Cancer Hospital & Institute, Beijing 100142, China | | | Zhang Yibao | Institute of Medical Technology, Peking University Health Science Center, Beijing 100191, China
Key Laboratory of Carcinogenesis and Translational Research (Ministry of Education/Beijing), Department of Radiation Oncology, Peking University Cancer Hospital & Institute, Beijing 100142, China | zhangyibao@pku.edu.cn |
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| Abstract:: |
| Objective To develop a simplified DNA model tailored for Monte Carlo track structure simulations and investigate the influence of microstructural variations at the scale of several base pairs on the physical simulation of proton-induced biological effects, providing a novel approach to enhance the efficiency of modeling and computational processes in proton radiotherapy simulations. Methods A circular double-helix DNA molecule consisting of 4 362 base pairs was constructed based on the pBR322 plasmid structure. These molecules were evenly distributed without overlap within a spherical region at the center of a water phantom, representing the cellular nucleus. Integrated into the GPU-based gMicroMC code framework, the model facilitated simulations to calculate proton-induced double-strand break (DSB) yields across three distinct models with twist angles of 20°, 36°, and 72° between adjacent nucleotide pairs. Comparative analyses were conducted to assess differences among these models. Results Intra-model analyses revealed a consistent decrease in proton-induced DSB yields with increasing initial energy. Under proton irradiation at different energies, the DSB yields for the three models followed the order 72°>36°>20°, with intergroup relative differences exceeding 34.6%. Comparative RBE calculations suggested that models with twist angles between 36° and 72° may better replicate proton-induced damage observed in V79 cells. Conclusions By strategically simplifying the separation of macroscopic and microscopic levels of DNA structure, adjustments to microstructural parameters can be effectively implemented to refine the model, thereby enhancing the efficiency of modeling and physical simulations. This methodology shows potential as a model for simulating relative biological effectiveness (RBE) in proton therapy planning. |
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