Low energy (1–19 eV) electron scattering from condensed thymidine (dT) I: absolute vibrational excitation cross sections

Lemelin, V.; Bass, A. D.; Cloutier, Pierre; Sanche, Léon

doi:10.1039/c9cp03447a

Cited by 2 publications

(1 citation statement)

References 80 publications

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“…For instance, with different models adopted in gMicroMC and Geant4-DNA, the maximal discrepancies of the track length and penetration depth for electrons below 1 keV computed by the two packages were around 10 and 4 nm, respectively [ 9 ]. In recent years, there has been much effort contributing to improving the accuracy of describing the low-energy electron transport process [ 11 , 12 , 13 , 14 , 15 , 48 ]. However, more efforts are required to fully elucidate this problem.…”

Section: Discussionmentioning

confidence: 99%

Recent Developments on gMicroMC: Transport Simulations of Proton and Heavy Ions and Concurrent Transport of Radicals and DNA

Lai

Jia

Chi

2021

IJMS

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Mechanistic Monte Carlo (MC) simulation of radiation interaction with water and DNA is important for the understanding of biological responses induced by ionizing radiation. In our previous work, we employed the Graphical Processing Unit (GPU)-based parallel computing technique to develop a novel, highly efficient, and open-source MC simulation tool, gMicroMC, for simulating electron-induced DNA damages. In this work, we reported two new developments in gMicroMC: the transport simulation of protons and heavy ions and the concurrent transport of radicals in the presence of DNA. We modeled these transports based on electromagnetic interactions between charged particles and water molecules and the chemical reactions between radicals and DNA molecules. Various physical properties, such as Linear Energy Transfer (LET) and particle range, from our simulation agreed with data published by NIST or simulation results from other CPU-based MC packages. The simulation results of DNA damage under the concurrent transport of radicals and DNA agreed with those from nBio-Topas simulation in a comprehensive testing case. GPU parallel computing enabled high computational efficiency. It took 41 s to simultaneously transport 100 protons with an initial kinetic energy of 10 MeV in water and 470 s to transport 105 radicals up to 1 µs in the presence of DNA.

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Section: Discussionmentioning

confidence: 99%

Recent Developments on gMicroMC: Transport Simulations of Proton and Heavy Ions and Concurrent Transport of Radicals and DNA

Lai

Jia

Chi

2021

IJMS

View full text Add to dashboard Cite

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Low energy (6–18 eV) electron scattering from condensed thymidine (dT) III: absolute electronic excitation cross sections

Lemelin

Bass

Sanche

2020

Phys. Chem. Chem. Phys.

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Low energy (1–19 eV) electron scattering from condensed thymidine (dT) I: absolute vibrational excitation cross sections

Abstract: Absolute vibrational cross sections for low energy (1–19 eV) electron scattering from condensed thymidine using high-resolution electron energy loss spectroscopy.

Cited by 2 publications

References 80 publications

Recent Developments on gMicroMC: Transport Simulations of Proton and Heavy Ions and Concurrent Transport of Radicals and DNA

Recent Developments on gMicroMC: Transport Simulations of Proton and Heavy Ions and Concurrent Transport of Radicals and DNA

Low energy (6–18 eV) electron scattering from condensed thymidine (dT) III: absolute electronic excitation cross sections

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