用动态蒙特卡罗代码演示了水辐射分解引起的多重DNA损伤。

IF 6.9 2区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Communications Chemistry Pub Date : 2025-03-06 DOI:10.1038/s42004-025-01453-x
Takeshi Kai, Tomohiro Toigawa, Yusuke Matsuya, Yuho Hirata, Hidetsugu Tsuchida, Yuma Ito, Akinari Yokoya
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引用次数: 0

摘要

水分子的不同邻近电离引起的多重DNA损伤是放射生物学效应初始阶段的一个重要过程。受损DNA位点的几个重要特征,如化学损伤的临界大小和类型尚不为人所知。我们通过为化学过程开发一个动态蒙特卡罗代码来研究这个长期问题。反应概率和损伤的空间分布被理论求解为马刺半径和DNA与初始电离位置之间距离的函数。根据我们之前报道的结果,我们认为羟基自由基和来自单个鞭毛的水合电子可以同时在10个碱基对DNA内反应,诱导多个DNA损伤位点,包括DNA单链断裂和还原性核碱基损伤;然而,反应概率是0.4%或更少。一旦这种结合出现,它可能导致DNA双链断裂(DSB)。dsb难以修复,这可能导致细胞死亡或错误修复,并可能导致基因组中的点突变。
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Multiple DNA damages induced by water radiolysis demonstrated using a dynamic Monte Carlo code.

Multiple DNA damage resulting from different nearby ionizations of water molecules is an important process of the initial step of radiobiological effects. Several important characteristics of the damaged DNA site such as the critical size and types of chemical lesions are not well-known. We investigated this long-term issue by developing a dynamic Monte Carlo code for the chemical process. The reaction probabilities and the spatial distribution of lesions were theoretically solved as a function of the spur radius and distance between DNA and the initial ionisation position. From our previous reported results, we suggest that a hydroxyl radical and a hydrated electron from a single spur can concomitantly react within a 10 base pairs DNA to induce a multiple DNA damage site comprising a DNA single-strand break and reductive nucleobase damage; however, the reaction probability is 0.4% or less. Once this combination arises, it may result in a DNA double-strand break (DSB). DSBs are difficult to repair, which may lead to cell death or misrepair, and could lead to point mutations in the genome.

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来源期刊
Communications Chemistry
Communications Chemistry Chemistry-General Chemistry
CiteScore
7.70
自引率
1.70%
发文量
146
审稿时长
13 weeks
期刊介绍: Communications Chemistry is an open access journal from Nature Research publishing high-quality research, reviews and commentary in all areas of the chemical sciences. Research papers published by the journal represent significant advances bringing new chemical insight to a specialized area of research. We also aim to provide a community forum for issues of importance to all chemists, regardless of sub-discipline.
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