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    Impact of DNA geometry and scoring on Monte Carlo track-structure simulations of initial radiation-induced damage

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    Authors
    Bertolet, A.
    Ramos-Méndez, J.
    McNamara, A.
    Yoo, D.
    Ingram, Samuel
    Henthorn, Nicholas
    Warmenhoven, John J
    Faddegon, B.
    Merchant, Michael
    McMahon, S. J.
    Paganetti, H.
    Schuemann, J.
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    Affiliation
    Department of Radiation Oncology, Massachusetts General Hospital and Harvard Medical School, Boston, Massachusetts
    Issue Date
    2022
    
    Metadata
    Show full item record
    Abstract
    Track structure Monte Carlo simulations are a useful tool to investigate the damage induced to DNA by ionizing radiation. These simulations usually rely on simplified geometrical representations of the DNA subcomponents. DNA damage is determined by the physical and physico-chemical processes occurring within these volumes. In particular, damage to the DNA backbone is generally assumed to result in strand breaks. DNA damage can be categorized as direct (ionization of an atom part of the DNA molecule) or indirect (damage from reactive chemical species following water radiolysis). We also consider quasi-direct effects, i.e., damage originated by charge transfers after ionization of the hydration shell surrounding the DNA. DNA geometries are needed to account for the damage induced by ionizing radiation, and different geometry models can be used for speed or accuracy reasons. In this work, we use the Monte Carlo track structure tool TOPAS-nBio, built on top of Geant4-DNA, for simulation at the nanometer scale to evaluate differences among three DNA geometrical models in an entire cell nucleus, including a sphere/spheroid model specifically designed for this work. In addition to strand breaks, we explicitly consider the direct, quasi-direct, and indirect damage induced to DNA base moieties. We use results from the literature to determine the best values for the relevant parameters. For example, the proportion of hydroxyl radical reactions between base moieties was 80%, and between backbone, moieties was 20%, the proportion of radical attacks leading to a strand break was 11%, and the expected ratio of base damages and strand breaks was 2.5-3. Our results show that failure to update parameters for new geometric models can lead to significant differences in predicted damage yields.
    Citation
    Bertolet A, Ramos-Méndez J, McNamara A, Yoo D, Ingram S, Henthorn N, et al. Impact of DNA Geometry and Scoring on Monte Carlo Track-Structure Simulations of Initial Radiation-Induced Damage. Radiation research. 2022 Jun 29. PubMed PMID: 35767729. Epub 2022/06/30. eng.
    Journal
    Radiation Research
    URI
    http://hdl.handle.net/10541/625404
    DOI
    10.1667/rade-21-00179.1
    PubMed ID
    35767729
    Additional Links
    https://dx.doi.org/10.1667/rade-21-00179.1
    Type
    Article
    Language
    en
    ae974a485f413a2113503eed53cd6c53
    10.1667/rade-21-00179.1
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