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New damage model for simulating radiation-induced direct damage to biomolecular systems and experimental validation using pBR322 plasmid.
Park, Jinhyung; Jung, Kwang-Woo; Kim, Min Kyu; Gwon, Hui-Jeong; Jung, Jong-Hyun.
Affiliation
  • Park J; Advanced Radiation Technology Institute, Korea Atomic Energy Research Institute, Jeongeup, 56212, Republic of Korea.
  • Jung KW; Advanced Radiation Technology Institute, Korea Atomic Energy Research Institute, Jeongeup, 56212, Republic of Korea.
  • Kim MK; Advanced Radiation Technology Institute, Korea Atomic Energy Research Institute, Jeongeup, 56212, Republic of Korea.
  • Gwon HJ; Advanced Radiation Technology Institute, Korea Atomic Energy Research Institute, Jeongeup, 56212, Republic of Korea.
  • Jung JH; Advanced Radiation Technology Institute, Korea Atomic Energy Research Institute, Jeongeup, 56212, Republic of Korea. jungjh83@kaeri.re.kr.
Sci Rep ; 12(1): 11345, 2022 07 05.
Article in En | MEDLINE | ID: mdl-35790804
In this work, we proposed a new damage model for estimating radiation-induced direct damage to biomolecular systems and validated its the effectiveness for pBR322 plasmids. The proposed model estimates radiation-induced damage to biomolecular systems by: (1) simulation geometry modeling using the coarse-grained (CG) technique to replace the minimum repeating units of a molecule with a single bead, (2) approximation of the threshold energy for radiation damage through CG potential calculation, (3) calculation of cumulative absorption energy for each radiation event in microscopic regions of CG models using the Monte Carlo track structure (MCTS) code, and (4) estimation of direct radiation damage to biomolecular systems by comparing CG potentials and absorption energy. The proposed model replicated measured data with an average error of approximately 14.2% in the estimation of radiation damage to pBR322 plasmids using the common MCTS code Geant4-DNA. This is similar to the results of previous simulation studies. However, in existing damage models, parameters are adjusted based on experimental data to increase the reliability of simulation results, whereas in the proposed model, they can be determined without using empirical data. Because the proposed model proposed is applicable to DNA and various biomolecular systems with minimal experimental data, it provides a new method that is convenient and effective for predicting damage in living organisms caused by radiation exposure.
Subject(s)

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: DNA Type of study: Health_economic_evaluation / Prognostic_studies Language: En Journal: Sci Rep Year: 2022 Document type: Article Country of publication: United kingdom

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: DNA Type of study: Health_economic_evaluation / Prognostic_studies Language: En Journal: Sci Rep Year: 2022 Document type: Article Country of publication: United kingdom