| 研究分担者 |
田中 宏昌 名古屋大学, 低温プラズマ科学研究センター, 教授 (00508129)
栗田 弘史 豊橋技術科学大学, 工学(系)研究科(研究院), 准教授 (70512177)
竹内 希 東京工業大学, 工学院, 准教授 (80467018)
白谷 正治 九州大学, システム情報科学研究院, 教授 (90206293)
古閑 一憲 九州大学, システム情報科学研究院, 教授 (90315127)
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| 研究実績の概要 |
For the potential use of plasma in biomedical applications like cancer treatment, it is important to develop the plasma device and control reactive species generated, along with changes in pH and temperature of the solution. In Frontiers of Physics 2023, we analyzed how the concentration of ROS and RNS changes with feed gases like CO2 and N2. The formation of CO in CO2 plasma is the main key point between the two processes. Therefore, in another study published in Plasma Processes and Polymers 2024, we focused on the formation of CO in the gas phase. Additionally, to understand the dynamics of plasma streamers, we performed a 2D particle-in-cell/Monte Carlo collision model. This helps simulate the high-intensity discharge and streamer propagation better and work published in Plasma 2023. In Biomolecules 2023, we conducted molecular dynamics simulations to investigate the permeation capabilities of RONS across modified cell membranes. The simulation results showed that less hydrophilic species, i.e., NO, NO2, N2O4, and O3, have a higher penetration ability through nitro-oxidized PLB compared to hydrophilic RONS, i.e., HNO3, s-cis-HONO, s-trans-HONO, H2O2, HO2, and OH. In another study, we synthesized benzimidazole-2-ones and checked the anti-inflammatory and anti-cancer properties using computer simulation. In-silico docking studies demonstrated promising binding interactions with Heat Shock Protein 60 (HSP60), and molecular dynamics simulations supported these results. These results were published in Environmental Research 2024.
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| 現在までの達成度 (区分) |
現在までの達成度 (区分)
2: おおむね順調に進展している
理由
According to the project's work package, I have developed a new plasma device, a streamer plasma, that suits this study, as it can operate at low power and we can treat solutions in different environmental conditions. Secondly, I also developed the 0D and 1D models to detect the reactive species that can’t be detected in the liquids (short-lived reactive species), along with developing the 2D fluid model. Now, I am working on using a 2D fluid model with chemistry input. Further molecular dynamics simulation was also developed to study the cellular membrane for both oxidized and non-oxidized. I have also simulated the protein binding drug molecules to study the combined effect of protein and drug in future in-vitro studies. Currently, I simulated one heat shock protein HSP60, but later, I plan to simulate more proteins.
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| 今後の研究の推進方策 |
To understand the nature of the induced changes in amino acid modification in a complex state. Further, we will use co-solvents like Ionic liquids to understand the effect of co-solvents on biomolecules in the presence of plasma analytical techniques like circular dichroism, fluorescence spectroscopy, and UV-visible spectroscopy, supported by computational methods. This will help mimic the cellular processes. In the biological system, many types of complicity can affect plasma action. Additionally, we will continuously analyze the possible changes in the protein structure by mimicking plasma oxidized amino acids and performing the Molecular dynamics simulations. Through this, we can know the possible structure changes and binding capacities of proteins that are hard to extract and check their binding with drugs.
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