To study the molecular damage induced in the form of single-strand and double-strand breaks by ionizing radiation at the DNA level, the Geant4-DNA Monte Carlo simulation code for complete transportation of primary protons and other secondary particles in liquid water has been employed in this work. To this aim, a B-DNA model and a thorough classification of the complexity of the DNA damage were used. Strand breaks were assumed to have primarily originated by direct physical interactions via energy depositions, assuming a threshold energy of 17.5 eV, or indirect chemical reactions of hydroxyl radicals, assuming a probability of 0.13. The simulation results on the complexity and frequency of various damages are computed for proton energies of 0.5-20 MeV. The yield results for a cell (Gy cell) are presented, assuming 22 chromosomes per cell and a mean number of 245 Mbp per chromosome. The results show that for proton energies below 2 MeV, more than 50% of the energy depositions within the DNA volume resulted in strand breaks. For double-strand breaks (DSBs), there is considerable sensitivity of DSB frequency to the proton energy. A comparison of DSB frequencies predicted by different simulations and experiments is presented as a function of proton linear energy transfer (LET). We show that our yield results (Gy Gbp) are generally comparable with various experimental data and there seems to be a better agreement between our results and a number of experimental studies when compared to other simulations.

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Due to the physical and chemical processes that are involved, interactions of ionizing radiations with cells lead to single-and double-strand breaks (SSB and DSB) and base damage to DNA cells. The damage may kill the cells or may be mis-repaired and lead to genetic diseases and cancers. Track structure Monte Carlo simulation of the DNA damage provides types of the damage and their frequencies. In the present work, to derive initial DNA damage, we used the Geant4-DNA code to simulate the physical, physico-chemical and chemical stages of interactions of incident beams of 100 eV-4.5 keV electrons. By considering the direct damage of electrons and also the indirect hydroxyl radical damage to the DNA, in a simulation, simple and complex damages to SSB and DSB were investigated. Moreover, the yield of damage and the probability of types of DNA damage were evaluated. The results of these calculations were compared with the existing experimental data and the other simulations. For electrons with energies lower than 500 eV, there were differences between our results and published data which are basically due to the existing differences in the physical (electron ionization, excitation cross sections) and chemical models of Geant4-DNA, the chemical processes considered in the simulations, DNA geometry, and the selected parameters for damage threshold as compared to the other codes. In the present work, the effect of the threshold energy of the strand breaks was also evaluated.

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