- 著者
- Susumu Fujiwara Hiroaki Nakamura Haolun Li Hisanori Miyanishi Tomoko Mizuguchi Takuo Yasunaga Takao Otsuka Yuji Hatano Shinji Saito
- 出版者
- Japan Society for Simulation Technology
- 雑誌
- 日本シミュレーション学会英文誌 (ISSN:21885303)
- 巻号頁・発行日
- vol.6, no.1, pp.94-99, 2019 (Released:2019-03-15)
- 参考文献数
- 9
- 被引用文献数
- 3 8
We propose a computational strategy for investigating structural change of tritium-substituted macromolecules. Effects of radiation on macromolecules such as polymeric materials and DNA are classified into three categories: (1) direct action, (2) indirect action, and (3) decay effect. In this study, we focus on the decay effect exclusively. After a beta decay of substituted tritium in macromolecules to helium-3, the generated inert helium-3 is assumed to be deleted quickly. To get an insight into the decay effect to the damage of macromolecules, we perform molecular dynamics simulations of tritium-deleted macromolecules and analyze their structural change. Preliminary simulation results of decay effect on polymeric materials and DNA are presented.
- 著者
- Yuji Hatano Hiroto Shimoyachi Tatsuya Asano Takahiro Kenmotsu Takuro Wada Yasuhisa Oya Hiroaki Nakamura Susumu Fujiwara
- 出版者
- Japan Society for Simulation Technology
- 雑誌
- 日本シミュレーション学会英文誌 (ISSN:21885303)
- 巻号頁・発行日
- vol.9, no.1, pp.198-205, 2022 (Released:2022-06-17)
- 参考文献数
- 12
- 被引用文献数
- 1
The goal of this study is to establish a simple experimental system to examine the rate of double strand breaks (DSBs) of genome-sized DNA molecules under irradiation of β-rays from tritium under well-controlled conditions for the validation of computer simulation on interactions of biomolecules and ionizing radiation. Irradiation effects were insignificant at tritium concentration of 1300 Bq/cm3, indicating that the effects of β-rays were far smaller than those of oxidation and/or thermal motion at the low dose rate (4.3 μGy/h). Clear increase in DSB rate was observed at tritium concentrations of 3.0—4.0 MBq/cm3. The temperature dependence of DSB rate was examined by using the high concentration tritiated water.