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Med. Biol."],"published-print":{"date-parts":[[2024,2,7]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    <jats:italic>Objective<\/jats:italic>\n                    . Time-dependent yields of chemical products resulting from water radiolysis play a great role in evaluating DNA damage response after exposure to ionizing radiation. Particle and Heavy Ion Transport code System (PHITS) is a general-purpose Monte Carlo simulation code for radiation transport, which simulates atomic interactions originating from discrete energy levels of ionizations and electronic excitations as well as molecular excitations as physical stages. However, no chemical code for simulating water radiolysis products exists in the PHITS package.\n                    <jats:italic>Approach.<\/jats:italic>\n                    Here, we developed a chemical simulation code dedicated to the PHITS code, hereafter called\n                    <jats:italic>PHITS-Chem<\/jats:italic>\n                    code, which enables the calculation of the\n                    <jats:italic>G<\/jats:italic>\n                    values of water radiolysis species (\n                    <jats:sup>\u2022<\/jats:sup>\n                    OH, e\n                    <jats:sub>aq<\/jats:sub>\n                    <jats:sup>\u2212<\/jats:sup>\n                    , H\n                    <jats:sub>2<\/jats:sub>\n                    , H\n                    <jats:sub>2<\/jats:sub>\n                    O\n                    <jats:sub>2<\/jats:sub>\n                    etc) by electron beams.\n                    <jats:italic>Main results.<\/jats:italic>\n                    The estimated\n                    <jats:italic>G<\/jats:italic>\n                    values during 1 \u03bcs are in agreement with the experimental ones and other simulations. This\n                    <jats:italic>PHITS-Chem<\/jats:italic>\n                    code also simulates the radiolysis in the presence of OH radical scavengers, such as tris(hydroxymethyl)aminomethane and dimethyl sulfoxide. Thank to this feature, the contributions of direct and indirect effects on DNA damage induction under various scavenging capacities can be analyzed.\n                    <jats:italic>Significance.<\/jats:italic>\n                    This chemical code coupled with PHITS could contribute to elucidating the mechanism of radiation effects by connecting physical, physicochemical, and chemical processes.\n                  <\/jats:p>","DOI":"10.1088\/1361-6560\/ad199b","type":"journal-article","created":{"date-parts":[[2023,12,29]],"date-time":"2023-12-29T17:22:56Z","timestamp":1703870576000},"page":"035005","update-policy":"https:\/\/doi.org\/10.1088\/crossmark-policy","source":"Crossref","is-referenced-by-count":11,"title":["A step-by-step simulation code for estimating yields of water radiolysis species based on electron track-structure mode in the PHITS code"],"prefix":"10.1088","volume":"69","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-4556-6150","authenticated-orcid":false,"given":"Yusuke","family":"Matsuya","sequence":"first","affiliation":[{"name":"Nuclear Science and Engineering Center, Research Group for Radiation Transport Analysis, Japan Atomic Energy Agency (JAEA), 2-4 Shirakata, Tokai, Ibaraki, 319-1195,"},{"name":"Hokkaido University"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0000-7234-541X","authenticated-orcid":false,"given":"Yuji","family":"Yoshii","sequence":"additional","affiliation":[{"name":"Hokkaido University"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2145-4496","authenticated-orcid":false,"given":"Tamon","family":"Kusumoto","sequence":"additional","affiliation":[{"name":"National Institutes for Quantum Science and Technology, 4-9-1 Anagawa, Inage-ku, 263-8555 Chiba,"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ken","family":"Akamatsu","sequence":"additional","affiliation":[{"name":"Institute for Quantum life Science, Quantum Life and Medical Science Directorate, National Institutes of Quantum and Radiological Science and Technology (QST), 8-1-7 Umemidai, Kizugawa-shi, Kyoto, 619-0215,"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yuho","family":"Hirata","sequence":"additional","affiliation":[{"name":"Nuclear Science and Engineering Center, Research Group for Radiation Transport Analysis, Japan Atomic Energy Agency (JAEA), 2-4 Shirakata, Tokai, Ibaraki, 319-1195,"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9902-7083","authenticated-orcid":false,"given":"Tatsuhiko","family":"Sato","sequence":"additional","affiliation":[{"name":"Nuclear Science and Engineering Center, Research Group for Radiation Transport Analysis, Japan Atomic Energy Agency (JAEA), 2-4 Shirakata, Tokai, Ibaraki, 319-1195,"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Takeshi","family":"Kai","sequence":"additional","affiliation":[{"name":"Nuclear Science and Engineering Center, Research Group for Radiation Transport Analysis, Japan Atomic Energy Agency (JAEA), 2-4 Shirakata, Tokai, Ibaraki, 319-1195,"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"266","published-online":{"date-parts":[[2024,1,19]]},"reference":[{"key":"pmbad199bbib1","doi-asserted-by":"publisher","first-page":"1524","DOI":"10.1038\/s41598-021-81215-6","type":"journal-article","article-title":"Quantitative estimation of track segment yields of water radiolysis species under heavy ions around Bragg peak energies using Geant4-DNA","volume":"11","author":"Baba","year":"2021","journal-title":"Sci. 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