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@ARTICLE{Camazzola:363834,
      author       = {Camazzola, G. and Boscolo, D. and Abram, V. and Scifoni, E.
                      and Dorn, A. and Durante, Marco and Krämer, M. and Fuss, M.
                      C.},
      title        = {{I}ncluding medium effects and longer temporal scales in
                      {TRAX}-{CHEM}xt},
      journal      = {Physics in medicine and biology},
      volume       = {70},
      number       = {24},
      issn         = {0031-9155},
      address      = {Bristol},
      publisher    = {IOP Publ.},
      reportid     = {GSI-2026-00044},
      pages        = {245023 -},
      year         = {2025},
      abstract     = {Objective. Radiation biophysical modelling of the
                      spatio-temporal events following energy deposition in a
                      tissue-like medium is a useful tool for investigating
                      mechanistic features of radiobiological processes. The
                      present study focuses on the description of complex milieux
                      and long time domains.Approach. Monte Carlo (MC) chemical
                      track structure algorithms allow the formation, transport,
                      and recombination of radical species under various
                      irradiation conditions to be followed. This feature has been
                      proposed to have outermost relevance, e.g. in the
                      comprehension of the FLASH effect. Nevertheless, to extend
                      the simulations predictability range in both temporal scales
                      and realistic environments, while avoiding prohibitive
                      running times, computationally lighter approaches have to be
                      used in combination with the accurate step-by-step
                      descriptions provided by MC. To this end, TRAX-CHEMxt has
                      been implemented.Main results. We propose here an upgraded
                      version of the code, capable now to investigate the chemical
                      effects of radiation up to 1 s and in a more complex
                      environment, featured not only by oxygenated water, but also
                      by a representative biomolecule, RH, and an antioxidant
                      component, XSH. The robustness of the code in this new
                      configuration has been proven. Its predictions are compared
                      with both full MC counterparts at the overlapping time
                      scale, (1-10) µs, and available experimental data at longer
                      temporal points, showing in all cases good agreements. The
                      change in the chemical yields due to the presence of RH and
                      XSH is then investigated, as a function of primary particle
                      type, energy, LET, and target oxygenation.Significance.
                      TRAX-CHEMxt can thus be effectively applied to study the
                      impact of radiation-induced radicals at larger time scales
                      on more complex systems, allowing for specific biological
                      targets simulations.},
      keywords     = {Monte Carlo Method / Time Factors / Monte Carlo track
                      structure (Other) / TRAX-CHEMxt (Other) / antioxidants and
                      biomolecules (Other) / homogeneous chemical stage (Other) /
                      ion radiation (Other) / radiation chemistry (Other)},
      cin          = {BIO},
      ddc          = {530},
      cid          = {I:(DE-Ds200)BIO-20160831OR354},
      pnm          = {633 - Life Sciences – Building Blocks of Life: Structure
                      and Function (POF4-633) / SUC-GSI-Darmstadt - Strategic
                      university cooperation GSI-TU Darmstadt (SUC-GSI-DA)},
      pid          = {G:(DE-HGF)POF4-633 / G:(DE-Ds200)SUC-GSI-DA},
      experiment   = {$EXP:(DE-Ds200)no_experiment-20200803$},
      typ          = {PUB:(DE-HGF)16},
      doi          = {10.1088/1361-6560/ae29e1},
      url          = {https://repository.gsi.de/record/363834},
}