TRAX-CHEMxt: Towards the Homogeneous Chemical Stage of Radiation Damage
Abstract
:1. Introduction
2. Results
2.1. Transition Time and Chemical Track Evolution at the ms Scale
2.2. LET Impact
2.3. Oxygenation Impact
2.4. Comparisons with Previous Approaches
2.4.1. Comparison with TRAX-CHEM (Monte Carlo Domain)
2.4.2. Comparison with Experimental Data and a Different Monte Carlo Algorithm
2.4.3. Comparison with Kinetiscope (Pure Homogeneous Domain)
3. Discussion
4. Materials and Methods
4.1. Code Implementation
4.2. Simulation Settings
4.3. Time Step and Transitional Time Point between TRAX-CHEM and TRAX-CHEMxt
5. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
Abbreviations
e- | Electron beam |
H | Proton beam |
12C | Carbon ion beam |
LET | Linear energy transfer |
IRT | Independent reaction time |
B.C. | Boundary conditions |
SOD | Superoxide dismutase |
CAT | Catalase |
GSH | Glutathione |
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Particle Type | pO (atm) | Species | Yield |
---|---|---|---|
500 keV e− | 0% | 3.19 | |
21% | 3.21 | ||
90 MeV H | 0% | 3.12 | |
21% | 3.15 | ||
90 MeV/u 12C | 0% | 1.40 | |
21% | 1.56 |
Initial Conditions | (10 µs)—TRAX-CHEM 1 | (10 µs)—TRAX-CHEMxt | (1 ms)—TRAX-CHEMxt | Computational Gain (10 µs) |
---|---|---|---|---|
500 keV e−, 1% pO | ∼12 h | 75 s | 27 min | 1369 |
150 MeV/u 12C, 7% pO | >2 days | 80 s | 30 min | 2189 |
Time Interval | (ns) |
---|---|
–1 µs | 0.5 |
1 µs–10 µs | 1 |
10 µs–100 µs | 2.5 |
100 µs–1 ms | 5 |
1 ms– | 10 |
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Camazzola, G.; Boscolo, D.; Scifoni, E.; Dorn, A.; Durante, M.; Krämer, M.; Abram, V.; Fuss, M.C. TRAX-CHEMxt: Towards the Homogeneous Chemical Stage of Radiation Damage. Int. J. Mol. Sci. 2023, 24, 9398. https://doi.org/10.3390/ijms24119398
Camazzola G, Boscolo D, Scifoni E, Dorn A, Durante M, Krämer M, Abram V, Fuss MC. TRAX-CHEMxt: Towards the Homogeneous Chemical Stage of Radiation Damage. International Journal of Molecular Sciences. 2023; 24(11):9398. https://doi.org/10.3390/ijms24119398
Chicago/Turabian StyleCamazzola, Gianmarco, Daria Boscolo, Emanuele Scifoni, Alexander Dorn, Marco Durante, Michael Krämer, Valentino Abram, and Martina C. Fuss. 2023. "TRAX-CHEMxt: Towards the Homogeneous Chemical Stage of Radiation Damage" International Journal of Molecular Sciences 24, no. 11: 9398. https://doi.org/10.3390/ijms24119398