Miyabi Hiyama

Graduate School of Science and Technology, Gunma University

Profile

Research Interest:

Theoretical Chemistry, Computational Chemistry, Biochemistry, Atomic and Molecular Physics

Education

1993-1996 :

Ph.D The Graduate University for Advances Studies, Japan
Thesis Title: Characteristics and dynamics of superexcited states of diatomic molecules

1991-1993 :

MA in Science , Keio University, Japan
Thesis Title: Theoretical Assignment of the Correlation bands observed in the near- threshold photoelectron spectra of N2, CO and HCl

1987-1991 :

BA in Science, Keio University, Japan
Thesis Title: The excimer emission spectra and the interaction potential energy of the ground and excited states of He and alkali metal systems

Employment History

2017- :

Associate Professor of Gunma University, Japan

2023 :

Visiting Associate Professor of the Institute for Solid State Physics, The University of Tokyo, Japan

2020 :

Visiting Associate Professor of the Institute for Solid State Physics, The University of Tokyo, Japan

2017-2020 :

Part-time Lecturer of Chiba Institute of Technology, Japan

2017-2017 :

Part-time Lecturer of Toyo University, Japan

2013-2017 :

Project Researcher of The Institute for Solid State Physics, The University of Tokyo, Japan

Part-time Lecturer of Nihon University, Japan

2012-2014:

Part-time Lecturer of The University of Electro-Communications, Japan

2012-2013:

Researcher of Nagoya University, Japan

2011-2013:

Part-time Lecturer of Chukyo University, Japan

2010-2013:

Part-time Lecturer of Nagoya University of Commerce and Business, Japan

2010-2012:

Technical assistant of Nagoya University, Japan

2010-2011:

Researcher of Nagoya Institute of Technology, Japan
Joint researcher of Nagoya University, Japan

2006-2010:

Joint researcher of Toyota Central R&D Labs., Inc., Japan

2004-2006:

Research associate of Institute for Molecular Science, Japan

2001-2004:

Research Fellow for Young Scientists (PD) of Japan Society for the Promotion of Science, The university of Tokyo, Japan

1999-2001:

Researcher of University of Oxford, UK

1996-1999:

Post doctoral Fellow of Japan Science and Technology Corporation, The University of Tokyo, Japan

1993-1996:

Research Fellow for Young Scientists (DC1) of Japan Society for the Promotion of Science, Institute for Molecular Science, Japan

Association and Memberships (Committee Work)

• The Chemical Society of Japan
• The Physical Society of Japan
• The Society for Atomic Collision Research
• The Society for Theoretical Chemistry
• Japan Society for Molecular Science
• Institute for Quantum Chemical Exploration

Award

Research Activity

Productivity

Publications

Peer-Reviewed Journals

1. Tamotsu Uchiyama, Taiji Nakamura, Miyabi Hiyama, Takako Kudo, ”Theoretical study of the Si/C equally-mixed dodecahedrane analogues” Molecules 28(6), 2769 (2023) https://doi.org/10.3390/molecules28062769
2. Ryohei Ono, Keita Osawa, Yutaka Takahashi, Yoshifumi Noguchi, Nobuo Kitada, Ryohei Saito-Moriya, Takashi Hirano, Shojiro A. Maki, Keisei Shibata, Hidefumi Akiyama, Ken-ichiro Kanno, Hideyuki Itabashi, Miyabi Hiyama "Quantum Yield of Near-Infrared Bioluminescence with Firefly Luciferin Analog: AkaLumine" Journal of Photochemistry & Photobiology, A: Chemistry 434, 114270 (2023) https://doi.org/10.1016/j.jphotochem.2022.114270
3. Ryo Kumagai, Ryohei Ono, Shu Sakimoto, Chiharu Suzuki, Ken-ichiro Kanno, Hiroshi Aoyama, Junko Usukura, Masataka Kobayashi, Hidefumi Akiyama, Hideyuki Itabashi, Miyabi Hiyama, "Photo-cleaving and photo-bleaching quantum yields of coumarin-caged luciferin" Journal of Photochemistry & Photobiology, A: Chemistry 434, 114230 (2023) https://doi.org/10.1016/j.jphotochem.2022.114230
4. Ryo Kumagai, Ryohei Ono, Hidefumi Akiyama, Hideyuki Itabashi, Miyabi Hiyama: Photo-bleaching of Firefly Luciferin with UV Irradiation Chem. Phys. Lett.791, 139414 (2022) https://doi.org/10.1016/j.cplett.2022.139414
5. Akihiko Uchiyama, Chisako Fujiwara, Yuta Inoue, Miyabi Hiyama, Hideyuki Itabashi, Sei-ichiro Motegi: The effect of balneotherapy with natural mineral dissolved water on dry skin in atopic dermatitis: A phage IIa, non-randomized, controlled study Journal of Cutaneous Immunology and Allergy, 2021, in press
6. Haruhisa Ogawa, Ryohei Ono, Yoshifumi Noguchi, Nobuo Kitada, Ryohei Saito-Moriya, Shojiro A. Maki, Hidefumi Akiyama, Hideyuki Itabashi, Miyabi Hiyama*, Absorption Spectra for Firefly Bioluminescence Substrate Analog: TokeOni in Various pH Solutions Photochem. Photobiol. 97, 1016-1022 (2021)
7. Masaru Chiyomaru, Keiro Higuchi, Miyabi Hiyama, Hideyuki Itabashi: Automated Continuous Monitoring FIA System for Silicate and Its Application to Plant Water Quality Control Journal of Flow Injection Analysis Vol. 37, No. 2, 67 - 72 (2020)
8. Yoshifumi Noguchi, Miyabi Hiyama, Motoyuki Shiga, Hidefumi Akiyama, Osamu Sugino: Quantum-Mechanical Hydration Plays Critical Role in the Stability of Firefly Oxyluciferin Isomers: State-of-the-art Calculations of the Excited States J. Chem. Phys. 153,201103 (2020)
9. Di Gao, Konomi Omi, Nobuhiko Wada, Masanobu Mori, Miyabi Hiyama, Hideyuki Itabashi: All Injection Analysis to Determine Heavy Metal Speciation in Accumulated Soil in Japan J. Flow Injection Anal. Vol. 37, No. 2, 61 - 65 (2020)
10. Junko Usukura, Miyabi Hiyama, Maki Kurata, Yuji Hazama, Xingping Qiu, Francoise M. Winnik, Hidefumi Akiyamaa, Nobuaki Koga: Theoretical study of the wavelength selection for the photocleavage of coumarin-caged D-luciferin Photochem. Photobiol., 96, 805-814(2020)
11. Yoshifumi Noguchi, Miyabi Hiyama, Motoyuki Shiga, Hidefumi Akiyama, Osamu Sugino: Photoabsorption Spectra of Aqueous Oxyluciferin Anions Elucidated by Explicit Quantum Solvent Journal of Chemical Theory and Computation, 15, 5474-5482 (2019)
12. Maki Kurata, Miyabi Hiyama*, Takuma Narimatsu, Yuji Hazama, Takashi Ito, Yuhei Hayamizu, Xingping Qiu, Francoise M. Winnik, Hidehumi Akiyama: Synthesis and quantitative characterization of coumarin caged D-luciferin J. Photochem. Photobiol. B, 189, 81-86 (2018)
13. Miyabi. Hiyama, Motoyuki Shiga, Nobuaki Koga, Osamu Sugino, Hidefumi Akiyama, Yoshifumi Noguchi: Effect of dynamical fluctuations of hydration structures on the absorption spectra of oxyluciferin anions in aqueous solution Phys. Chem. Chem. Phys., 19, 10028-10035 (2017)
14. Miyabi Hiyama, Hidefumi Akiyama, Nobuaki Koga: Theoretical insights into the effect of pH values on oxidation processes in the emission of firefly luciferin in aqueous solution Luminescence: The Journal of Biological and Chemical Luminescence, 32, 1100-1108 (2017)
15. Yoshifumi Noguchi, Miyabi Hiyama, Motoyuki Shiga, Osamu Sugino, Hidefumi Akiyama: Reverse Stability of Oxyluciferin Isomers in Aqueous Solutions J. Phys. Chem. B, 120, 8776-8783 (2016)
16. Miyabi Hiyama, Yoshifumi Noguchi, Hidefumi Akiyama, Kenta Yamada, Nobuaki Koga: Vibronic structures in absorption and fluorescence spectra of firefly oxyluciferin in aqueous solutions Photochem. Photobiol., 91, 819-827 (2015)
17. Yoshifumi Noguchi, Miyabi Hiyama, Hidefumi Akiyama, Yoshihisa Harada, Nobuaki Koga: First-Principles Investigation of Strong Excitonic Effects in Oxygen 1s X-Ray Absorption Spectra J. Chem. Theo. Compt. 11, 1668-1673 (2015)
18. Miyabi Hiyama, T. Mochizuki, Hidefumi Akiyama, Nobuaki Koga: Analysis of Oxyluciferin Photoluminescence Pathways in Aqueous Solutions Photochem. Photobiol., 91,74-83 (2015)
19. Yoshifumi Noguchi, Miyabi Hiyama, Hidefumi Akiyama, Nobuaki Koga: First-Principles Investigation on Rydberg excitations of Firefly Luciferin Anion in Vacuum. J. Chem. Phys. 141, 044309 (2014)
20. Toshimitsu Mochizuki, Yu Wang, Miyabi Hiyama, Hidefumi Akiyama: Temperature-Sensitive Quantum Yields and Quantitative Spectra of Firefly Bioluminescence. Appl. Phys. Lett. 104, 213704 (2014)
21. Miyabi Hiyama, Hidefumi Akiyama, Toshimitsu Mochizuki, Kenta Yamada, Nobuaki Koga: Analysis of Photoexcitation Energy Dependence in the Photo Luminescence of Firefly Luciferin. Photochem. Photobiol.,90, 820-828 (2014)
22. Miyabi Hiyama, Hidefumi Akiyama, K. Yamada, Nobuaki Koga: Theoretical Study of Fluorescence Spectra Utilizing the pKa Values of Acids in Their Excited States. Photochem. Photobiol., 90,35-44 (2014)
23. Miyabi Hiyama, Kenta Yamada, Toshimitsu Mochizuki, Hidefumi Akiyama, Nobuaki Koga: Theoretical study of pH dependence on photoluminescence of firefly luciferin. Luminescence 29, 70 (2014)
24. Hidefumi Akiyama, Y. Wang, Miyabi Hiyama, Toshimitsu Mochizuki, Kanako Terakado, Toru Nakatsu: How can quantitative bioluminescence and in-situ fluorescence of firefly oxyluciferin in luciferase be compared with theoretical calculations? Luminescence 29, 7 - 8 (2014)
25. Yoshifumi Noguchi, Miyabi Hiyama, Hidefumi Akiyama, Nobuaki Koga: First-Principles Investigation on Optical Properties of Firefly Luciferin Anion. Luminescence 29, 86 - 87 (2014)
26. Yasuhiro Kajima, Shuji Ogata, Ryo Kobayashi, Miyabi Hiyama, Tomoyuki Tamura, Fluctuation Local Recrystallization of Quati-Luquid Layer of Sub-micrometer- scaled Ice: A Molecular Dynamics Study. J. Phys. Soc. Japan, 83, 083601-1 - 083601-4 (2014)
27. Miyabi Hiyama, Hidefumi Akiyama, Yu Wang, Nobuaki Koga: Theoretical Study of Oxyuciferin pKa Values; Relative Absorption Intensity in Aqueous Solutions. Chem. Phys. Lett., 577, 121-126 (2013)
28. Miyabi Hiyama, Hidefumi Akiyama, Kenta Yamada, Nobuaki Koga: Theoretical Study of Firefly Luciferin pKa Values - Relative Absorption Intensity in Aqueous Solutions. Photochem. Photobiol., 89,571-578 (2013)
29. Yasuhiro Kajima, Miyabi Hiyama, Shuji Ogata, Tomoyuki Tamura, Ryo Kobayashi: Fast Time-Reversible Molecular Dynamics Algorithm for Rigid-Body Systems. J. Chem. Phys. 136, 234105-1-234105-8 (2013)
30. Miyabi Hiyama, Hidefumi Akiyama, Kenta Yamada, Nobuaki Koga: Theoretical Study of Absorption and Fluorescence Spectra of Firefly Luciferin. Photochem. Photobiol., 88,889-898 (2012)
31. Miyabi Hiyama, Nobuaki Koga: Theoretical study of electron transfer in Rhodobacter sphaeroides reaction center. Photochem. Photobiol., 87, 1297-1307 (2011)
32. Yasuhiro Kajima, Miyabi Hiyama, Shuji Ogata, T. Tamura: Exactly Time-Reversible Molecular Dynamics Algorithm for Rigid-Body Systems, J. Phys. Soc. Japan, 80, 114002-1 - 114002-7 (2011)
33. Miyabi Hiyama, Tomoyuki Kinjo, Shiaki Hyodo: Angular Momentum Form of Verlet Algorithm for Rigid Molecules, J. Phys Soc. Japan, 77, 064001-1 - 064001-12 (2008)
34. Mark S. Child, Miyabi Hiyama: On the Choice of basis functions to eliminate false roots of the quantization condition in quantum defect theory, J. Phys., B40, 1233-1244 (2007)
35. Miyabi Hiyama, Nobuhiro Kosugi: Application of R matrix / MQDT method to valence and core excitations in NO, J. Phys. B39, 1797-1811 (2006)
36. Miyabi Hiyama, Nubohiro Kosugi: Ab initio R-Matrix/Multi-channel quantum defect theory applied to molecular core excitation and ionization, J. Electron Spectroscopy and Related Phenomena, 144-147, 1223-1226 (2005)
37. Suomi Masuda, Tatsuo Gejo, Miyabi Hiyama, Nobuhiro Kosugi: Vibronic couplings in the C 1s-Rydberg and valence excitations of C2H2, revealed by angle-resolved photoion yield spectroscopy, J. Electron Spectroscopy and Related Phenomena, 144-147, 215-218 (2005)
38. Miyabi Hiyama, Nobuhiro Kosugi: Ab initio R-Matrix/Multi-channel Quantum Defect Theory Approach to Study Molecular Core Excitation and Ionization: GSCF4R, J. Theoretical and Computational Chemistry, 4, 35-47 (2005)
39. Miyabi Hiyama, Nobuhiro Kosugi: Ab initio R-Matrix/MQDT method for near-edge x-ray absorption fine structure, Physica. Scripta, T115, 136-139 (2005)
40. Miyabi Hiyama, Mark S. Child: Ab initio R-matrix/ MQDT study of nitric oxide II. Analysis of valence/ Rydberg interactions, J. Phys., B36 4547-4559 (2003)
41. Miyabi Hiyama, Kiyohiko Someda: Photoelectron spectra in intense laser fields: The effect of resonance with autoionizing Rydberg states, Physical Review, A68, 043402-1 ? 043402-8 (2003)
42. Miyabi Hiyama, Mark S. Child: Ab initio R-matrix/ multichannel quantum defect theory study of nitric oxide, J. Phys. B35, 1337-1351 (2002)
43. Miyabi Hiyama, Mark S. Child: Computation of negative energy Coulomb functions, J. Phys., B34, 3935-3950 (2001)
44. Miyabi Hiyama, Kiyohiko Someda: Stabilization of diatomic molecules against ionization in intense laser fields: Effects of overlapping resonance, Physical Review, A61, 023411-1-023411-8 (2000)
45. Miyabi Hiyama, Kiyohiko Someda: Ionization of atoms in intense laser fields. Strong mixing of auto- and photoionizations, Chem. Phys. Lett., 287, 613-619 (1998)
46. Miyabi Hiyama, Nobohiro Kosugi, Hiroki Nakamura: Characteristics and dynamics of superexcited states of diatomic molecules: General theoretical procedure, J. Chem. Phys. 107,9379-9381 (1997)
47. Miyabi Hiyama, Hiroki Nakamura: Two-center Coulomb functions, Comp. Phys. Comm., 103, 209 - 216 (1997)
48. Miyabi Hiyama, Hiroki Nakamura: Gaussian expansions of the two-center Coulomb functions, Comp. Phys. Comm., 103, 197-208 (1997)
49. Miyabi Hiyama, Hiroki Nakamura: Superexcited states of CO near the first ionization threshold, Chem. Phys. Lett., 248, 316-320 (1996)
50. Miyabi Hiyama, Suehiro Iwata: Theoretical assignment of the vibronic bands in the photoelectron spectra of N2 below 30 eV, Chem. Phys. Lett., 211, 319-327 (1993)
51. Miyabi Hiyama, Suehiro Iwata: Assignment of the photoelectron spectrum of HCl above 20 eV, Chem. Phys. Lett., 210, 187-192 (1993)
52. Miyabi Hiyama, Sinkoh Nanbu, Suehiro Iwata: The excimer emission spectra and the interaction potential energy of the ground and excited states of He and alkali metal systems, Chem. Phys. Lett. 192, 443-450 (1992)

Review

1. Lucas Pichl, Miyabi Hiyama, Hiroki Nakamura: Analytical Treatment of the K matrix Integral Equation in the Dynamics of Superexcited Molecules, Dissociative Recombination of Molecular Ions with Electrons, (edited by S. L. Guberman, Kluwer Academic/Plenum Publishers) 167-176 (2003)
2. Miyabi Hiyama, Hiroki Nakamura: Characteristics and Dynamics of Superexcited States of Diatomic Molecules, Structure and Dynamics of Electronic Excited States, (edited by J. Laane, H. Takahashi, A. Bandrauk, Springer-Verlag) 296-317 (1998)
3. Miyabi Hiyama, Hiroki Nakamura: Characteristics and Dynamics of Superexcited States of CO, Dissociative Recombination: Theory, Experiment and Applications III, (edited by D. Zaifman, J. B. A. Mitchell, D. Schwalm, and B. R. Rowe, World Scientific), 212-215 (1995)

Invited talk

1. Miyabi Hiyama, Theoretical study for firefly bioluminescence related molecules in aqueous solutions, Joint Symposium of S-Membrane Project and F-Material Project, Gunma, invited (2022.10.21)
2. Ryohei Ono, Ryo Kumagai, Ken-ichiro Kanno, Hiroshi Aoyama, Junko Usukura, Masataka Kobayashi, Hidefumi Akiyama, Hideyuki Itabashi, Miyabi Hiyama, Photo-cleavage quantum yield of coumarin-caged luciferin, The 8th Quantum Science (QS) symposium, ICCMSE 2022-Computational Chemistry and Computational Physics, 2022, Greece, invited (2022.10.26)
3. M. Hiyama: Study for firefly bioluminescence related molecules. The 7th Quantum Science (QS) symposium, ICCMSE 2021-Computational Chemistry and Computational Physics, (2021.09.04) Plenary Lecture
4. M. Hiyama, Y. Noguchi, M. Shiga, O. Sugino, H. Akiyama, N. Koga: Theoretical study for firefly bioluminescence related molecules in aqueous solutions with first principle molecular dynamics simulations. The 6th Quantum Science (QS) symposium -The Main Symposium of 16th International Conference of Computational Methods in Science and Engineering (ICCMSE2020) -Computational Chemistry and Computational Physics, 29 April-3 May, Creta, Greece (2020/04/29-05/03)
5. M. Hiyama, Y. Noguchi, K. Yamada, H. Akiyama, N. Koga: Effects of vibronic transitions and water solvation on absorption and fluorescence spectra of firefly oxyluciferin 19th International Symposium on Bioluminescence and Chemiluminescence 2016, Tsukuba, Japan, (2016.5.31)
6. M. Hiyama, Y. Noguchi, T. Michizuki, K. Yamada, H. Akiyama, N. Koga: Theoretical study for photoluminescence of firefly-bioluminescence-related molecules Luciferin/Luciferase Engineering (# 410), THE INTERNATIONAL CHEMICAL CONGRESS OF PACIFIC BASIN SOCIETIES (Pacifichem 2015) Honolulu, Hawaii, USA, (2015.12.16)
7. H. Akiyama, M. Hiyama, T. Mochizuki, Y. Wang, Y. Ando: Quantitative Measurements, In-situ Spectroscopy, and Quantum-Chemistry Theoretical Studies on Firefly Bioluminescence.
The 2nd DYCE-ASIA / ISSP-international workshop on "Life Science and Photonics", Univ of Tokyo, Chiba, Japan, (2013. 12.18)
8. M. Hiyama, K. Yamada, T. Mochizuki, H. Akiyama, N. Koga: Theoretical study for excited states of firefly-bioluminescence-related molecules 5th JCS International Symposium on Theoretical Chemistry, Todai-ji Culture Center, Nara, Japan, (2013.12.4)
9. Y. Wang, Y. Ando, T. Mochizuki, M. Hiyama, H. Akiyama: In-situ and Quantitative Spectroscopy of Firefly Bioluminescence, 18th International Conference on Dynamical Processes in Excited States of Solids (DPC'13), Fuzhou, China, (2013.8.7)
10. Y. Ando, Y. Wang, Y. Hayamizu, M. Hiyama, H. Kubota, N. Koga, H. Akiyama: What should we learn about concerning the color change of firefly bioluminescence? The 49st Annual Meeting of the Biophysical Society of Japan, Hyogo Univ., Japan, (2011.9.17)
11. M. Hiyama: R matrix/MQDT study for diatomic molecules, International Symposium on Spectroscopy, Reaction Dynamics and Manipulation of Atoms and Molecules, Tohoku Univ., Japan, (2007.2.27)
12. M. Hiyama: Calculation for cross section of photoionization in molecules, Core University Program Workshop on Atomic and Molecular Databases, National Institute for Fusion Science,Japan (2006.2.17)
13. M. Hiyama: Application of ab initio R matrix /Multi-channel quantum defect theory: valence and core excitations in NO molecule, IWP2005, Brazil (2005.7.29)
14. M. Hiyama, M. S. Child: An ab initio R-matrix/MQDT Study of Nitric Oxide, Sixth International Conference on Dissociative Recombination: Theory, Experiments and Applications, MosBach, Germany (2004.6.12)
15. M. Hiyama, H. Nakamura: Characteristics and Dynamics of Superexcited States of Diatomic Molecules, Dissociative Recombination: Theory, Experiment and Application, Weizmann Inst. Sci. Ein Gedi, Israel (1995.5.29)

Research Grant/Subsidy

1993-1996

Research Fellowship for Young Scientists(DC1) Grants-Aid for Scientific Research of JSPS

2001-2003

Research Fellowship for Young Scientists(PD) Grants-Aid for Scientific Research of JSPS

2006

Institute for Molecular Science

2004-2005

JST, Study of Spin-forbidden Ionization and Excitation via Inner-shell Excitation (Prof. Kosugi)

2014-2016

Institute for Quantum Chemical Exploration Grant

2015-2017

15K05379 Grant-in-Aid for Scientific Research (C) of JSPS

2017-2019

17KT0094 Grant-in-Aid for Scientific Research (C) of JSPS

2021-2023

21K04989 Grant-in-Aid for Scientific Research (C) of JSPS

Review of research

1990 - 1993 : Excited states of diatomic molecules

1993 - 2006 : Super excited states of molecules

Autoionization

R matrix / multichannel quantum defect theory (R-matrix/MQDT)

2006-2014 : Molecular Dynamics Simulations for Rigid-Body Systems

Angular Momentum Verlet (AMV) algorithm

Fast Time-Reversible Molecular Dynamics Algorithm (FT)

2010 - : Mechanisms of Photochemistry in Biomolecules

Electron Transfer in Photochemical Reaction Center of Bacterial Photosystems

Emission Color in Firefly Bioluminescence

Firefly Luciferin

Firefly Oxyluciferin

2014 - : Core Absorption Spectra