川瀬 雅也
(かわせ・まさや)
Masaya Kawase
略歴
- 香川大学教育学部助教授、香川大学農学部助教授、大阪大学大学院薬学研究科助教授などを歴任し現在に至る。
固体物性の理論的解析
ケモインフォマティックス
- 研究の応用領域
- 物性研究、創薬、情報化学
Mathematical and statistical approaches are employed in my studies to clarify the properties of chemical compounds. The main topics of them are follows.
Quantum chemical calculation of solid state properties
For the evaluation of the properties of solids, it is essential to analyze the electronic state. Analysis of electronic state is performed by quantum chemical method. The main calculation method used is the DV-Xa method.
Chemoinfomatics
In this study, novel structural descriptors of chemical structures are developed by using graph theory and other geometric methods. These descriptors are used in describing quantitative structure-activity relationship.
Ikeda, M., Ueda-Wakagi, M., Hayashibara, K., Kitano, R., Kawase, M., Kaihatsu, K., Kato, N., Suhara, Y., Osakabe,N., and Ashida, H., The C-3 position of catechins influence on the binding affinities with serum albumin by interacting with the surface of serum albumin Molecules, 22, 314; doi:10.3390 (2017).
Asano, M., Sakaguchi, M., Tanaka, S., Kashimura, K., Mitani, T., Kawase, M., Matsumura, H., Yamaguchi, T., Fujita, Y., and Tabuse, K., Effects of Normothermic Conditioned Microwave Irradiation on Cultured Cells Using an Irradiation System with Semiconductor Oscillator and Thermoregulatory Applicator Sci. Rep., 7, article number 41244 (2017).
Kato, T., Janik, M, Kanda, R., Ishikawa, T., Kawase, M., and Kawamoto, T., Measurement of radon in air using a radon-218Po calibration curve determined by an absorption non-volatile liquid scintillator Radiat. Meas., 95, 25-30 (2016).