A step-by-step simulation code for estimating yields of water radiolysis species based on electron track-structure mode in the PHITS code

Matsuya, Yusuke; Yoshii, Yuji; Kusumoto, Tamon; Akamatsu, Ken; Hirata, Yuho; Sato, Tatsuhiko; Kai, Takeshi

A step-by-step simulation code for estimating yields of water radiolysis species based on electron track-structure mode in the PHITS code

Matsuya, Yusuke; Yoshii, Yuji; Kusumoto, Tamon et al.

Physics in medicine and biology, 2024, 69, 035005

Permalink : https://hdl.handle.net/2115/93935

このアイテムのアクセス数:203件（2026-08-17 02:24 集計）

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アクセス権	open access
URI	https://hdl.handle.net/2115/93935
タイトル	A step-by-step simulation code for estimating yields of water radiolysis species based on electron track-structure mode in the PHITS code
著者	Matsuya, Yusuke ; Yoshii, Yuji ; Kusumoto, Tamon ; Akamatsu, Ken ; Hirata, Yuho ; Sato, Tatsuhiko ; Kai, Takeshi
e-Rad_Researcher 20826929 著者名 Matsuya, Yusuke
著者名 Yoshii, Yuji
e-Rad_Researcher 90825499 著者名 Kusumoto, Tamon
e-Rad_Researcher 70360401 著者名 Akamatsu, Ken
e-Rad_Researcher 30881057 著者名 Hirata, Yuho
著者名 Sato, Tatsuhiko
e-Rad_Researcher 70403037 著者名 Kai, Takeshi
言語	英語
キーワード	electrons
	Monte Carlo simulation
	PHITS code
	water radiolysis
	DNA damage
発行日	2024-01-19
出版者	IOP Publishing
収録物名	Physics in medicine and biology
巻(号)	69
ページ	035005
抄録	Objective. 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. Approach. Here, we developed a chemical simulation code dedicated to the PHITS code, hereafter called PHITS-Chem code, which enables the calculation of the G values of water radiolysis species (center dot OH, eaq -, H2, H2O2 etc) by electron beams. Main results. The estimated G values during 1 mu s are in agreement with the experimental ones and other simulations. This PHITS-Chem 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. Significance. This chemical code coupled with PHITS could contribute to elucidating the mechanism of radiation effects by connecting physical, physicochemical, and chemical processes.
資源タイプ	学術雑誌論文
出版タイプ	Accepted Manuscript
権利情報	This is the Accepted Manuscript version of an article accepted for publication in Physics in Medicine & Biology. IOP Publishing Ltd is not responsible for any errors or omissions in this version of the manuscript or any version derived from it. The Version of Record is available online at https://doi.org/10.1088/1361-6560/ad199b
PISSN	0031-9155
NCID	AA00774048
関連情報	PMID 38157551
関連情報 (isVersionOf)	出版社版DOI https://doi.org/10.1088/1361-6560/ad199b