Performance of a new atomistic geometrical model of the B-DNA configuration for DNA-radiation interaction simulations

2nd International Conference on Mathematical Modeling in Physical Sciences 2013

物理学;数学

Bernal, M.A.^1 ; Sikansi, D.^1 ; Cavalcante, F.^1 ; Incerti, S.^2 ; Champion, C.^2 ; Ivanchenko, V.^3 ; Francis, Z.^4,5 ; Karamitros, M.^2,6

Instituto de Física Gleb Wataghin, Universidade Estadual de Campinas, SP, Brazil^1

Université Bordeaux 1, CNRS/IN2P3, CENBG, Chemin du Solarium, BP 120, 33175 Gradignan, France^2

Ecoanalytica, Russia Geant 4 International Ltd, 119899 Moscow, Russia^3

Université Saint Joseph, Science Faculty, Department of Physics, Beirut, Lebanon^4

Open University, Faculty of Science, Department of Physical Sciences, Milton Keynes, MK7 6AA, United Kingdom^5

CNRS, INCIA, UMR 5287, 33400 Talence, France^6

关键词: Atomistic modeling;    Cell nucleus;    Chromatin fibers;    Geant4 dnas;    Geometrical modeling;    Hit probability;    Radiation interactions;    Van der Waals radius;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/490/1/012150/pdf
DOI  :  10.1088/1742-6596/490/1/012150

来源: IOP

【 摘 要 】

We have recently developed an atomistic model of the B-DNA configuration, up to the 30-nm chromatin fiber. This model is intended to be used in Monte Carlo simulations of the DNA-radiation interaction, specifically in conjunction with the Geant4-DNA extension of the Geant4 Monte Carlo toolkit. In this work, 11449 parallel chromatin fibers have been arranged within a cube mimicking a cell nucleus containing about 6.5×109base pairs. Each atom in the model is represented by a sphere with the corresponding van der Waals radius. Direct single, double and total DNA strand break yields due to the impact of protons and alpha particles with LET ranging from 4.57 to 207.1 keV/μm have been determined. Also, the corresponding site-hit probabilities have been calculated.