広島大学

Basic Information

Major Professional Backgrounds

• 2014/09, 2014/12, Yokohama City University
• 2015/01, 2015/05, Yokohama City University
• 2017/04, 2020/03, Hiroshima City University, Special Postdoctoral Researcher
• 2020/04/01, 2020/09/30, Hiroshima University, Graduate School of Advanced Science and Engineering, Researcher
• 2020/10/01, Hiroshima University, Graduate School of Advanced Science and Engineering, Assistant professor

Educational Backgrounds

• Yokohama City University, Japan, 2011/04, 2014/09
• Nagoya University, Japan, 2009/04, 2011/03
• Nagoya University, Japan, 2005/04, 2009/03

Academic Degrees

• Nagoya University
• Yokohama City University

Educational Activity

Course in Charge

1. 2024, Undergraduate Education, Second Semester, Basic Experiments in Chemistry
2. 2024, Undergraduate Education, Second Semester, Chemical Experiments II
3. 2024, Undergraduate Education, 3Term, Quantum Chemistry III
4. 2024, Undergraduate Education, Year, Graduation Thesis
5. 2024, Graduate Education (Master's Program) , 1Term, Special Exercises on Applied Chemistry A
6. 2024, Graduate Education (Master's Program) , 2Term, Special Exercises on Applied Chemistry A
7. 2024, Graduate Education (Master's Program) , 3Term, Special Exercises on Applied Chemistry B
8. 2024, Graduate Education (Master's Program) , 4Term, Special Exercises on Applied Chemistry B
9. 2024, Graduate Education (Master's Program) , 3Term, Special Exercises on Applied Chemistry B
10. 2024, Graduate Education (Master's Program) , 4Term, Special Exercises on Applied Chemistry B
11. 2024, Graduate Education (Master's Program) , Academic Year, Special Study on Applied Chemistry
12. 2024, Graduate Education (Master's Program) , 1Term, Special Exercises on Smart Innovation A
13. 2024, Graduate Education (Master's Program) , 2Term, Special Exercises on Smart Innovation A
14. 2024, Graduate Education (Master's Program) , 3Term, Special Exercises on Smart Innovation B
15. 2024, Graduate Education (Master's Program) , 4Term, Special Exercises on Smart Innovation B
16. 2024, Graduate Education (Master's Program) , Academic Year, Special Study on Smart Innovation
17. 2024, Graduate Education (Master's Program) , 2Term, Practice on Model-Based Systems Design I

Research Activities

Academic Papers

1. Structure of Heme-binding Pocket in Heme Protein is Generally Rigid and can be Predicted by AlphaFold2, Chemistry Letters, 51(7), 704-708, 20220701
2. Nuclear quantum effect and H/D isotope effect in excited state intramolecular proton transfer and electron-induced intramolecular proton transfer reactions in 8-hydroxyquinoline, International Journal of Quantum Chemistry, 20220101
3. Theoretical study of the H/D isotope effect on phase transition of hydrogen-bonded organic conductor kappa-H-3(Cat-EDT-TTF)(2), PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 18(43), 29673-29680, 20161006
4. H/D isotope effect between adsorbed water (H2O, D2O, and HDO) and H2O-and D2O-ice Ih(0001) basal surfaces based on the combined plane wave and localized basis set method, APPLIED SURFACE SCIENCE, 561, 20210930
   Link to Paper Search Results by DOI
5. Short-lived intermediate in N2O generation by P450 NO reductase captured by time-resolved IR spectroscopy and XFEL crystallography, Proceedings of the National Academy of Sciences of the United States of America, 118(21), 20210525
6. A computational examination of the electric-field-induced proton transfer along the interface hydrogen bond between proton donating and accepting self-assembled monolayers, Chemical Physics Letters, 741, 20200216
7. Computational study of distortion effect of Fe-porphyrin found as a biological active site, Japanese Journal of Applied Physics, 59(1), 20200101
8. Statistical and quantum-chemical analysis of the effect of heme porphyrin distortion in heme proteins: Differences between oxidoreductases and oxygen carrier proteins, Chemical Physics Letters, 710, 108-112, 20181016
9. Strong Hydrogen Bonds at the Interface between Proton-Donating and -Accepting Self-Assembled Monolayers on Au(111), Langmuir, 34(5), 2189-2197, 20180206
10. Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate, Nature Communications, 8(1), 20171201
11. Multicomponent DFT study of geometrical H/D isotope effect on hydrogen-bonded organic conductor, Κ-H3(Cat EDT-ST)2, Chemical Physics Letters, 674, 168-172, 20170101
12. Applicability of density functional tight binding method with dispersion correction to investigate the adsorption of porphyrin/porphycene metal complexes on graphene, Chemistry Letters, 46(1), 51-52, 20170101
13. Quantum Mechanics/Molecular Mechanics Study of the Sialyltransferase Reaction Mechanism, Biochemistry, 55(40), 5764-5771, 20161011
14. Inverse Ubbelohde effect in the short hydrogen bond of photosystem II: Relation between H/D isotope effect and symmetry in potential energy profile, Journal of Computational Chemistry, 37(23), 2140-2145, 20160905
15. Vibrational analysis on the revised potential energy curve of the low-barrier hydrogen bond in photoactive yellow protein, Computational and Structural Biotechnology Journal, 14, 16-19, 20160101
16. Isotope effect on the circular dichroism spectrum of methyl α-D-glucopyranoside in aqueous solution, Scientific Reports, 5, 20151214
17. Performance test of multicomponent quantum mechanical calculation with polarizable continuum model for proton chemical shift, Journal of Physical Chemistry A, 119(20), 4933-4938, 20150521
18. Theoretical analysis of geometry and NMR isotope shift in hydrogen-bonding center of photoactive yellow protein by combination of multicomponent quantum mechanics and ONIOM scheme, Journal of Chemical Physics, 141(18), 20141114
19. Development of multicomponent hybrid density functional theory with polarizable continuum model for the analysis of nuclear quantum effect and solvent effect on NMR chemical shift, Journal of Chemical Physics, 140(16), 20140428
20. Substrate-shielding and hydrolytic reaction in hydrolases, Proteins: Structure, Function and Bioinformatics, 81(6), 926-932, 20130601