Table 1 Damage parameters and chemistry limits of this work and previous MC simulations.

From: Fully integrated Monte Carlo simulation for evaluating radiation induced DNA damage and subsequent repair using Geant4-DNA

 

KURBUC18

PARTRAC20

Geant-DNA_SM33

Geant4-DNA_201932

This Work

\(R_{dir}\) (Å)

\(1.7\hbox {-}3.25^{\heartsuit }\)

\({\hbox {2VDWR}}^{\diamondsuit }\)

VDWR \(^{\star }\)

4.5

3.5

\(E_{min}^{break}\) (eV)

17.5

5

17.5

5

5

\(E_{max}^{break}\) (eV)

17.5

37.5

17.5

37.5

37.5

\(P_{OH}^{break}\)

0.13

\(0.7^{\,\spadesuit }\)

0.4

0.4

0.405

\(T_{chem}\) (ns)

1

\(10^{\,\clubsuit }\)

2.5

2.5

5

\(d_{kill}^{chem}\) (nm)

4

\(12.5^{\,*}\)

N/A

4.5

9

  1. \(R_{dir}\): Accumulation radius of energy deposition from nucleotide centre. \(E_{min}^{break}\): Minimum energy of direct strand break probability model. \(E_{max}^{break}\): Maximum energy of direct strand break probability model. \(P_{OH}^{break}\): Probability of indirect strand break. \(T_{chem}\): Time limit of chemical diffusion. \(d_{kill}^{chem}\): Production range limit of chemical radiolysis species from nucleotide centre. (VDWR) Summing up of atomic volume with each atomic van der Waals Radius (1.2, 1.7, 1.5, 1.4, 1.9 Å for H, C, N, O, P respectively). (\(\heartsuit\)) Arch structure with \(1.7\times 3.25~\AA\) section. (\(\diamondsuit\)) To Adjust for cross-section of molecules and take into account hydration shell, VDWR multiplied by 2. (\(\spadesuit\))Only damage with deoxyribose is considered as indirect damage. (\(\clubsuit\)) Additional 2.5 ns hydroxyl radical scavenging is considered. (\(*\)) Distance from centre of chromatine fibre. (\(\star\)) Additionally 24 water molecules considered as hydration shell.
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