Development of a chemical code applicable to ions based on the PHITS code for efficient and visual radiolysis simulations

Matsuya, Yusuke; Yoshii, Yuji*; Kusumoto, Tamon*; Ogawa, Tatsuhiko; Onishi, Seiki*; Hirata, Yuho; Sato, Tatsuhiko; Kai, Takeshi

Physical Chemistry Chemical Physics, 27(14), p.6887 - 6898, 2025/04

https://doi.org/10.1039/D4CP04216F

Radicals by water radiolysis play an important role in evaluating radiation-induced biological effects, such as DNA damage induction, chromosomal aberrations, and carcinogenesis. In the Particle and Heavy Ion Transport code System (PHITS), a track-structure simulation mode enabling the estimation of each atomic interactions in water and a chemical simulation code (PHITS-Chem) dedicated to electron beams that can simulate radical dynamics have been developed in our previous study. Here, we developed the PHITS-Chem code applicable to any ion species, considering a space partitioning method to detect radical reactions more efficiently and the 4D visualization function. The updated PHITS-Chem code was verified by comparing the simulated G values of proton beams, particle beams, and carbon ion beams to the corresponding values in the literature. We succeeded in intuitively evaluating the diffusion dynamics of radicals using the PHITS 3D drawing software, PHIG-3D. The time to calculate the G values was reduced (e.g., about 28 times faster) while maintaining its calculation accuracy. The developed PHITS-Chem code is expected to contribute to precise and intuitive understanding of the biological effects induced by radicals in ion-beam radiotherapy.

Improved multicomponent analysis method for electron spin resonance spectra of gamma-irradiated tooth enamel

Yamashita, Takuma*; Iwami, Satone*; Mitsuyasu, Yusuke*; Ono, Kenta*; Oka, Toshitaka; Takahashi, Atsushi*; Kino, Yasushi*; Sekine, Tsutomu*; Shimizu, Yoshinaka*; Chiba, Mirei*; et al.

KEK Proceedings 2024-6, p.85 - 90, 2024/12

To clarify the radiation effects of the accident at the TEPCO's Fukushima Daiichi NPP on living organisms, it is important to accurately estimate the dose to each individual. We have developed a multi-component analysis program using random number optimization to extract only the components derived from carbonate radicals from the ESR spectra.

Overview of PHITS Ver.3.34 with particular focus on track-structure calculation

Ogawa, Tatsuhiko; Hirata, Yuho; Matsuya, Yusuke; Kai, Takeshi; Sato, Tatsuhiko; Iwamoto, Yosuke; Hashimoto, Shintaro; Furuta, Takuya; Abe, Shinichiro; Matsuda, Norihiro; et al.

EPJ Nuclear Sciences & Technologies (Internet), 10, p.13_1 - 13_8, 2024/11

https://doi.org/10.1051/epjn/2024012

The latest updates on PHITS, a versatile radiation transport code, focusing specifically on track-structure models are presented. Track structure calculations are methods used to simulate the movement of charged particles while explicitly considering each atomic reaction. Initially developed for radiation biology, these calculation methods aimed to analyze the radiation-induced damage to DNA and chromosomes. Several track-structure calculation models, including PHITS-ETS, PHITS-ETS for Si, PHITS-KURBUC, ETSART, and ITSART, have been developed and implemented to PHITS. These models allow users to study the behavior of various particles at the nano-scale across a wide range of materials. Furthermore, potential applications of track-structure calculations have also been proposed so far. This collection of track-structure calculation models, which encompasses diverse conditions, opens up new avenues for research in the field of radiation effects.

Application of radiation transport code PHITS to life sciences

Matsuya, Yusuke; Kai, Takeshi; Sato, Tatsuhiko

Shototsu, 21(3), p.R008_1 - R008_8, 2024/11

https://doi.org/10.50847/collision.21.R008

Particle and Heavy Ion Transport code System PHITS is a Monte Carlo code that enables the simulation of the behavior of radiation using a computer. Since 2018, a track-structure mode has been developed that allows the simulation of each atomic interaction in liquid water, which is a main component of living organisms. This development has made it possible to perform high-spatial resolution radiation track-structure analysis on the DNA scale. Meanwhile, based on the spatial information of atomic interactions calculated in the track-structure mode, we have also succeeded in developing an analysis code that enables the estimate of the various types of DNA damage yields efficiently and with high accuracy. In this review, we introduce an overview of the track-structure mode and DNA damage estimation model implemented in the latest version of PHITS, and show examples of applications of PHITS in the field of life sciences.

Evaluation of relative biological effectiveness for diseases of the circulatory system based on microdosimetry

Sato, Tatsuhiko; Matsuya, Yusuke; Hamada, Nobuyuki*

Journal of Radiation Research (Internet), 65(4), p.500 - 506, 2024/07

https://doi.org/10.1093/jrr/rrae051

We therefore evaluated the mean and uncertainty of relative biological effectiveness (RBE) for diseases of the circulatory system (DCS) by applying a microdosimetric kinetic model specialized for RBE estimation of tissue reactions. For this purpose, we analyzed several RBE data for DCS determined by past animal experiments and evaluated the radius of the subnuclear domain best fit to each experiment as a single free parameter included in the model. Our analysis suggested that RBE for DCS tends to be lower than that for skin reactions, and their difference was borderline significant due to large variances of the evaluated parameters. These findings will help determine RBE by ICRP for preventing tissue reactions.

Monte Carlo simulation study on the dose and dose-averaged linear energy transfer distributions in carbon ion radiotherapy

Ishikawa, Akihisa; Koba, Yusuke*; Furuta, Takuya; Chang, W.*; Yonai, Shunsuke*; Matsumoto, Shinnosuke*; Hashimoto, Shintaro; Hirai, Yuta*; Sato, Tatsuhiko

Radiological Physics and Technology, 17(2), p.553 - 560, 2024/06

https://doi.org/10.1007/s12194-024-00798-7

Changes in molecular conformation and electronic structure of DNA under C ions based on first-principles calculations

Sekikawa, Takuya; Matsuya, Yusuke; Hwang, B.*; Ishizaka, Masato*; Kawai, Hiroyuki*; Ono, Yoshiaki*; Sato, Tatsuhiko; Kai, Takeshi

Nuclear Instruments and Methods in Physics Research B, 548, p.165231_1 - 165231_6, 2024/03

https://doi.org/10.1016/j.nimb.2023.165231

One of the main causes of radiation effects on the human body is thought to be damage to DNA, which carries genetic information. However, it is not fully understood what kind of molecular structural changes DNA undergoes upon radiation damage. Since it has been reported that various types of DNA damage are formed when DNA is irradiated, our group has investigated the relationship between DNA damage and various patterns of radiation-induced ionization induced by radiation. Although we have so far analyzed DNA damage in a simple system using a rigid body model of DNA, more detailed calculations are required to analyze the molecular structural changes in DNA, which are considered to be important in considering the effects on the human body. In this study, we attempted to clarify the molecular conformational changes of DNA using OpenMX, a first-principles calculation software that can discuss electronic states based on molecular structures. Specifically, we calculated the most stable structure, band dispersion, and wave function of DNA under the assumption that one and two electrons are ionized by various radiation. In the presentation, we will discuss the relationship between the energy dependence of each incident radiation type and the molecular conformational change of DNA. In addition, the radiation-induced changes in the basic physical properties of DNA (corresponding to the initial stage of DNA damage) will be discussed from the viewpoints of both radiation physics and solid state physics.

Development of a model for evaluating the luminescence intensity of phosphors based on the PHITS track-structure simulation

Hirata, Yuho; Kai, Takeshi; Ogawa, Tatsuhiko; Matsuya, Yusuke; Sato, Tatsuhiko

Nuclear Instruments and Methods in Physics Research B, 547, p.165183_1 - 165183_7, 2024/02

https://doi.org/10.1016/j.nimb.2023.165183

The luminescence efficiency of the phosphors for swift ions is known to decrease because of the quenching effects. To obtain the precise dose distributions using phosphor detectors, understanding the mechanisms of quenching effects is mandatory. Here, we developed a new model for estimating the luminescence intensity of phosphors based on the track-structure modes for arbitrary materials implemented in PHITS. The developed model enabled the simulation of the quenching effects of the BaFBr detector and was verified by comparing the results to the corresponding measured data. The present model is expected to contribute to developing phosphor detectors worldwide.

Recent improvements of the Particle and Heavy Ion Transport code System; PHITS version 3.33

Sato, Tatsuhiko; Iwamoto, Yosuke; Hashimoto, Shintaro; Ogawa, Tatsuhiko; Furuta, Takuya; Abe, Shinichiro; Kai, Takeshi; Matsuya, Yusuke; Matsuda, Norihiro; Hirata, Yuho; et al.

Journal of Nuclear Science and Technology, 61(1), p.127 - 135, 2024/01

https://doi.org/10.1080/00223131.2023.2275736

The Particle and Heavy Ion Transport code System (PHITS) is a general-purpose Monte Carlo radiation transport code that can simulate the behavior of most particle species with energies up to 1 TeV (per nucleon for ions). Its new version, PHITS3.31, was recently developed and released to the public. In the new version, the compatibility with high-energy nuclear data libraries and the algorithm of the track-structure modes have been improved. In this paper, we summarize the upgraded features of PHITS3.31 with respect to the physics models, utility functions, and application software introduced since the release of PHITS3.02 in 2017.

Development of an areal density imaging for boron and other elements

Tsuchikawa, Yusuke; Kai, Tetsuya; Abe, Yuta; Oikawa, Kenichi; Parker, J. D.*; Shinohara, Takenao; Sato, Ikken

Journal of Physics; Conference Series, 2605, p.012022_1 - 012022_6, 2023/10

https://doi.org/10.1088/1742-6596/2605/1/012022

We developed a method to obtain the areal density distribution of boron, which has a large neutron cross section, by means of an energy resolved neutron imaging. Commonly in a measurement of elements with very high neutron sensitivity, the quantitative measurement becomes more difficult with the amount of element due to the neutron self-shielding effect. To avoid this effect, an energy-resolved method using known cross section data was attempted, and a quantitative imaging of such elements was demonstrated at the MLF of J-PARC. This presentation introduces a measurement of melted simulated-fuel assemblies obtained in the research of the Fukushima Daiichi Nuclear Power Plant after the severe accident. Energy-dependent neutron transmission rates of the samples were measured by a neutron imaging detector, and were analyzed to obtained the areal density of boron at each position.