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Prof. Hiroshi Fujii's
Bioinorganic Chemistry Laboratory

Nara Women's University


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Publications

2022
How do the Axial and Equatrial Ligands Modulate Reactivity of Metal-Bound Terminal Oxidant? An Answer from Hypochlorite Adduct of Iron(III) Porphyrin
Sawako Yokota, Yuna Suzuki, Sachiko Yanagisawa, Sunsuke Nozawa, Masahiko Hada, Hiroshi Fujii*
ACS Catalysis in press
DOI:10.1021/acs


2021
Rate Limiting Step of Epoxidation Reaction of Oxoiron(IV) Porphyrin ƒΞ-Cation Radical Complex: Electron Transfer Coupled Bond Formation Mechanism
Yuri Ishimizu, Zhifeng Ma, Masahiko Hada, Hiroshi Fujii*
Inorg. Chem. 2021, 60, 17687-17698. published 2021. 12. 5.
DOI: DOI:10.1021/acs.inorgchem.1c02287
This paper was selected as a Featured Artic

Synthesis, Characterization and Reactivity of Oxoiron(IV) Porphyrin ƒΞ-Cation Radical Complexes bearing Cationic N-Methyl-2-pyridinium Group
Yuna Suzuki, Masahiko Hada, Hiroshi Fujii*
J. Inorg. Biochem. 2021, 223, 111542. published 2021. 10. 1.
DOI:10.1016/j.jinorgbio.2021.111542

Significant Solvent Effetc on Reactivity of Oxoiron(IV) Porphyrin ƒΞ-Cation Radical Complex: Activation in n-Alkane Solvent
Kanako Ueno, Yuri Ishimizu, Hiroshi Fujii*
Inorg. Chem. 2021, 9243-9247. published 2021. 7. 5.
DOI:10.1021/acs.inorgchem.1c01018

Meso-Substitution Activates Oxoiron(IV) Porphyrin ƒΞ-Cation Radical Complex More Than Pyrrole-ß -Substitution for Atom Transfer Reaction
Nami Fukui, Kanako Ueno, Masahiko Hada, and Hiroshi Fujii*
Inorg. Chem. 2021, 60, 3207-3217. published 2020. 3.1.
DOI:10.1021/acs.inorgchem.0c03548

2020
Unique Electronic Structures of the Highly Ruffled Hemes in Heme-Degrading Enzymes of Staphylococcus aureus, IsdG and IsdI, by Resonance Raman and Electron Paramagnetic Resonance Spectroscopies .
Satoshi Takahashi, Shusuke Nambu, Toshitaka Matsui, Hiroshi Fujii, Haruto Ishikawa, Yasuhisa Mizutani, Kouhei Tsumoto, Masao Ikeda-Saito
Biochemistry 2020, 59, 3918-3928. published 2020. 10.13.
DOI:10.1021/acs.biochem.0c00731

Photo-biohydrogen Production by Photosensitization with Biologically Precipitated Cadmium Sulfide in Hydrogen-Forming Recombinant Escherichia coli
Yuki Honda, Yuka Shinohara, Motonori Watanabe, Tatsumi Ishihara, and Hiroshi Fujii
ChemBioChem. 2020, 21, 3389-3397. published 2020.12.1.
DOI:10.1002/cbic.202000383

Visible light-driven, external mediator-free H2 production by a combination of a photosensitizer and a whole-cell biocatalyst: Escherichia coli expressing [FeFe]-hydrogenase and muturase genes
Yuki Honda, Yuka Shimonhara, and Hiroshi Fujii
Catalysis Science & Technology 2020, 10, 6006-6012. published 2020.9.7.
DOI:10.1039/D0CY01099E

DFT insight into axial ligand effects on electronic structure and mechanistic reactivity of oxoiron(IV) porphyrin
Zhifeng Ma, Naoki Nakatani, Hiroshi Fujii, and Masahiko Hada
Physical Chemistry Chemical Physics. 2020, 22, 12173-12179. published 2020.7.7.
DOI:10.1039/D0CP01867H

 Spectroscopic Evidence for Acid-Catalyzed Disproportionation Reaction of Oxoiron(IV) Porphyrin to Oxoiron(IV) Porphyrin ƒΞ-Cation Radical and Iron(III) Porphyrin
Kana Nishikawa, Yuki Honda, Hiroshi Fujii*
J. Am. Chem. Soc. 2020, 142, 4980-4984. published 2020/3/18 
DOI: https://doi.org/10.1021/jacs.9b13503

Effect of External Electric Fields on the Oxidation Reaction of Olefins by Fe(IV)OCl­Porphyrin Complexes
Zhifeng Ma, Naoki Nakatani, Hiroshi Fujii, and Masahiko Hada
Bull. Chem Soc. Jpn. 2020, 93, 187-193. published 2020/2/15.  
DOI:10.1246/bcsj.20190293

Dioxygen-Binding in Metalloproteins and Corresponding Models
Shinobu Itoh* and Hiroshi Fujii*
Comprehesive Coordination Chemsitry III 2020
DOI:10.1016/B978-0-12-409547-2.14904-2

2019
Small Reorganization Energy for Ligand-Centered Electron-Transfer Reduction of Compound I to Compound II in Heme Model Study
Fukui Nami, Li Xiao-Xi, Nam Wonwoo,* Fukuzumi Shunichi,* Fujii Hiroshi*
Inorg. Chem. 2019, 58, 8263-8266.  DOI: 10.1021/acs.inorgchem.9b01051

Direct Observation of Primary C–H Bond Oxidation by An Oxido-iron(IV) Porphyrin ƒΞ-Radical Cation Complex in a Fluorinated Carbon Solvent
Yuma Morimoto,* Yuki, Shimaoka, Yuri, Ishimizu, Hiroshi Fujii,* and Shinobu Itoh*
Angew. Chem. Int. Ed. 2019, 58, 10863-10866.  DOI: 10.1002/anie.201901608

Experimental and Theoretical Studies of the Porphyrin Ligand Effect on the Electronic Structure and Reactivity of Oxoiron(IV) porphyrin ƒΞ-Cation Radical Complexes
Yuri Ishimizu, Zhifeng Ma, Masahiko Hada, and Hiroshi Fujii*
J. Biol. Inrog. Chem. 2019, 24, 483-494.  DOI: 10.1007/s00775-019-01664-3

Substitution Effects on Olefin Epoxidation Catalyzed by Oxoiron(IV) Porphyrin ƒΞ-Cation Radical Complexes: A DFT Study
Zhifeng Ma, Kasumi Ukaji, Naoki Nakatani, Hiroshi Fujii, and Masahiko Hada,
J. Cmput. Chem. 2019, 40, 1780-1788.  DOI: 10.1002/jcc.25831

Site-Selective Supramolecular Complexation Activates Catalytic Ethane-Oxidation of m-Nitrido-Bridged Iron Porphyrinoid Dimer
Yasuyuki Yamada, Nozomi Mihara, Hikaru Takaya, Yasutaka Kitagawa, Kazunobu Igawa, Katsuhiko Tomooka Hiroshi Fujii, and Kentaro Tanaka
Chem. Eur. J. 2019, 25, 3369-3375.  DOI: 10.1002/chem.201805580

2018
Coexpression of 5-aminolevulinic Acid Synthase Gene Facilitates Heterologous Production of Thermostable@Cytochrome P450, CYP119, in Holo Form in Escherichia coli
Yuki Honda, Ki Nanasawa, and Hiroshi Fujii
ChemBioChem 2018, 19, 2156-2159.  DOI: 10.1002/cbic.201800331

Critical Factors in Determining the Heterolytic versus Homolytic Bond Cleavage of Terminal Oxidants by Iron(III) Porphyrin Complexes
Sawako Yokota and Hiroshi Fujii*
J. Am. Chem. Soc. 2018, 140, 5127-5137.  DOI: 10.1021/jacs.7b13037

Preparation, Characterization and Reactivity of a Bis-Hypochlorite Adduct of a Chiral Manganese(IV)-Salen Complex
Ikuko Araki, Kaoru Fukui, and Hiroshi Fujii*
Inorg. Chem. 2018, 57, 1685-1688.  DOI: 10.1021/acs.inorgchem.7b02661

2016
Participation of Electron-Transfer Process in Rate-Limiting Step of Aromatic Hydroxylation Reactions by Compound I Models of Heme Enzymes
Maaya Asaka and Hiroshi Fujii*
J. Am. Chem. Soc. 2016, 138, 8048-8051.

Unique coupling of mono- and dioxygenase chemistries in a single active site promotes heme degradation
Toshitaka Matsui, Shusuke Nambu, Celia W. Goulding, Satoshi Takahashi, Hiroshi Fujii, and Masao Ikeda- Saito
Proc. Natl. Acad. Sci. USA 2016, 113, 3779-3784.

The Functional Role of the structure of the Dioxo-isobacteriochlorin Structure in the Catalytic Site of Cytochrome cd1 for the Reduction of Nitrite
Hiroshi Fujii*, Daisuke Yamaki, Takashi Ogura, and Masahiko Hada
Chem. Sci. 2016, 7, 2896-2906.

The Origin of Relative Stability of Di-ƒΚ-oxo M-M Chiral Salen Complexes [M-M = Ti (IV)-Ti(IV), V(IV)-V(IV), Cr(IV)-Cr(IV) and Mn(IV)-Mn(IV)]: A Quantum-Chemical Analysis
Radhika Narayanan, Archana Velloth, Takuya Kurahashi, Hiroshi Fujii, Masahiko Hada*
Bull. Chem. Soc. Jp. 2016, 89, 447-454.

2015
Model Complexes of Heme Peroxidases
Hiroshi Fujii
"Heme Peroxidases", Ed‚“. Emma Ravan and Brian Dunford, RSC  Chapter 9, pp  181-217

2014
Factors Affecting Hydrogen-Tunneling Contribution in Hydroxylation Reactions Promoted by Oxoiron(IV) Porphyrin ƒΞ-Cation Radical Complexes
Zhiqi Cong, Haruki Kinemuchi, Takuya Kurahashi, and Hiroshi Fujii*
Inorg. Chem. 2014, 53, 10632-10641.

Theoretical Study of One-Electron- Oxidized Mn(III)- and Ni(II)-Salen Complexes: Localized vs. Delocalized Ground and Excited States in Solution
Shinji Aono, Masayuki Nakagaki, Takuya Kurahashi, Hiroshi Fujii, and Shigeyoshi Sakaki
J. Chem. Theory and Comput. 2014, 10, 1062-1073

Di-µ-Oxo Dimetal Core of MnIV and TiIV as a Linker Between Two Chiral Salen Complexes Leading to the Stereoselective Formation of Different M- and P-Helical Structure
Takuya Kurahashi, Masahiko Hada, and Hiroshi Fujii*
Inorg. Chem. 2014, 53, 1070-1079

2013
Oxygen-Atom Transfer from Iodosylarene Adducts of a Manganese(IV) Salen Complex:  Effect of Arenes and Anions on I(III) of the Coordinated Iodosylarene
Chunlan Wang, Takuya Kurahashi, Kensuke Inomata, Masahiko Hada, and Hiroshi Fujii*
Inorg. Chem. 2013, 52, 9557-9566.

Unique Ligand-Radical Character of an Activated Cobalt Salen Catalyst that is Generated by Aerobic Oxidation of a Cobalt(II) Salen Complex
Takuya Kurahashi and Hiroshi Fujii*
Inorg. Chem. 2013, 52, 3908-3919.

2012
Synthesis, Characterization, and Reactivity of Hypochloritoiron(III) Porphyrin Complexes
Zhiqi Cong, Sachiko Yanagisawa, Takuya Kurahashi, Takashi Ogura, Satoru Nakashima, and Hiroshi Fujii*
J. Am. Chem. Soc. 2012, 134, 20617-20620.

Comparative Spectroscopic Studies of Iron(III) and Manganese(III) Salen Complexes Having a Weakly Coordinating Triflate Axial Ligand
Takuya Kurahashi and Hiroshi Fujii*
Bull. Chem. Soc. Jpn. 2012, 85, 940-947.
(BCSJ Award Article)

Structure and Reactivity of an Iodosylarene Adduct of a Manganese(IV)-Salen Complex
Chunlan Wang, Takuya Kurahashi, and Hiroshi Fujii*
Angew. Chemie. Int. Ed. 2012, 51, 7809-7811.

Effect of the Axial Ligand on the Reactivity of the Oxoiron(IV) Porphyrin ƒΞ-Cation Radical Complex: Higher Stabilization of the Product State Relative to the Reactant State
Akihiro Takahashi, Daisuke Yamaki, Kenichiro Ikemura, Takuya Kurahashi, Takashi Ogura, Masahiko Hada, and Hiroshi Fujii*
Inorg. Chem. 2012, 51, 7296-7305.

Coordination and Electronic Structure of Ruthenium(II)-tris-2,2'-bipyridine in the Triplet Metal-to-Ligand Charge-Transfer Excited State Observed by Picosecond Time-Resolved Ru K-Edge XAFS
Tokushi Sato*, Shunsuke Nozawa, Ayana Tomita, Manabu Hoshino, Shin-ya Koshihara, Hiroshi Fujii, and Sin-ichi Adachi
J. Phys. Chem. C, 2012, 116, 14232-14236.

Formation of Iron(III) meso-Chloro-isoporphyrin as a Reactive Chlorinating Agent from Oxoiron(IV) Porphyrin ƒΞ-Cation Radical
Zhiqi Cong, Takuya Kurahashi, and Hiroshi Fujii*
J. Am. Chem. Soc. 2012, 134, 4469-4472.

Solid-state 17O NMR and computational studies of terminal transition metal oxo compounds
Jianfeng Zhu, Takuya Kurahashi, Hiroshi Fujii, and Gang Wu*
Chem. Sci. 2012, 3, 391-397.

2011
Oxidation of Chloride and Subsequent Chlorination of Organic Compounds by Oxoiron(IV) Porphyrin ƒΞ-Cation Radicals
Zhiqi Cong, Takuya Kurahashi, and Hiroshi Fujii*
Angew. Chemie. Int. Ed. 2011, 50, 9935-9939.

Redox Potentials of Oxoiron(IV) Porphyrin ƒΞ-Cation Radical Complexes: Participation of Electron Transfer Process in Oxygenation Reactions
Akihiro Takahashi, Takuya Kurahashi, and Hiroshi Fujii*
Inorg. Chem. 2011, 50, 6922-6928.

One-Electron Oxidation of Electronically Diverse Manganese(III) and Nickel(II) Salen Complexes: Transition from Localized to Delocalized Mixed-Valence Ligand Radicals
Takuya Kurahashi and Hiroshi Fujii*
J. Am. Chem. Soc. 2011, 133, 8307-8316.

2010
Unique Properties and Reactivity of High-Valent Manganese-Oxo versus Manganese-Hydroxo in the Salen Platform
Takuya Kurahashi, Akihiro Kikuchi, Yoshitsugu Shiro, Masahiko Hada, and Hiroshi Fujii*
Inorg. Chem. 2010, 49, 6664-6672.

Resonance Raman Study of a High-valent Fe=O Porphyrin Complex as a Model for Peroxidase Compound II
Hirohito Ishimaru, Hiroshi Fujii, and Takashi Ogura*
Chemistry Letters 2010, 39, 332-333.

Direct Probing of Spin State Dynamics Coupled with Electronic and Structural Modifications by Picosecond Time-Resolved XAFS
Shunsuke Nozawa*, Tokushi Sato, Matthieu Chollet, Kouhei Ichiyanagi, Ayana Tomita, Hiroshi Fujii, Shin-ichi Adachi, and Shin-ya Koshihara
J. Am. Chem. Soc. 2010, 132, 61-63.

Paramagnetic 13C and 15N NMR Analyses of the Push and Pull Effects in Cytochrome c Peroxidase and Coprinus cinereus Peroxidase Variants: Functional Roles of Highly Conserved Amino Acids around Heme
Daisuke Nonaka, Hiroyuki Wariishi, Karen G. Welinder, and Hiroshi Fujii*
Biochemistry 2010, 49, 49-57.

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