2014年06月, BCSJ賞, 日本化学会
Hirotaka Kinuta;Hiroaki Takahashi;Mamoru Tobisu;and Naoto Chatani

2006年, Emerson Center Visiting Fellowship Awards, Emory University, Atlanta, GA, USA

2001年, 日本化学会若い世代の特別講演会講演者

NHC-Mediated Radical Acylation Catalyzed by Thiamine- and Flavin-Dependent Enzymes.
Shunsuke Kato; Shuto Fujisawa; Yuto Adachi; Mitsuhiro Bandai; Yutaro Mori; Seiji Mori; Tomokazu Shirai; Takashi Hayashi, Cross-coupling reactions between short-lifetime radicals are challenging reactions in organic chemistry. Here, we report the development of an N-heterocyclic carbene (NHC)-mediated radical coupling reaction based on the catalytic machinery of thiamine- and flavin-dependent enzymes. Through a series of enzyme screenings, we found that acetolactate synthase from Thermobispora bispora (TbALS) and its engineered variants exhibit promising catalytic activity toward abiotic radical acylation reactions of α-bromo carbonyl compounds. Notably, the TbALS variant has higher catalytic activity for small nonaromatic substrates despite forming less stable radical intermediates. Furthermore, the catalytic system of TbALS can be applied to photocatalytic reactions utilizing the photoredox properties of FAD. Nonbenzylic alkyl radicals generated from N-acyloxyphthalimides are efficiently converted into the corresponding dialkyl ketones under irradiation of a blue LED. These findings highlight the utility of thiamine- and flavin-dependent enzymes for achieving selective cross-coupling reactions of short-lifetime radicals.
Journal of the American Chemical Society, 2025年04月30日

Highly Enantioselective Organocatalytic Mannich Reaction of α-Benzylidene Succinimides with N-Boc Imines: Experimental and Theoretical Studies.
Kodai Kimura; Yuto Shimizu; Katsuya Kanno; Itaru Sato; Seiji Mori; Takeshi Oriyama, 責任著者, The development of efficient and practical methods for the construction of chiral succinimide frameworks, which are the backbone of various natural products and widely studied in the field of pharmaceuticals, attracts considerable research attention. In this study, an asymmetric Mannich reaction of α-benzylidene succinimides with N-Boc imines was successfully performed using a bifunctional squaramide-type organocatalyst derived from quinine, affording the corresponding Mannich adduct with two contiguous stereocenters in high yields (up to 98%) with high diastereoselectivities (up to >20:1 dr) and excellent enantioselectivities (up to 99% ee). This protocol provides a direct approach to prepare chiral succinimide derivatives from simple starting material. Density Functional Theory (DFT) calculations with conformational search using an autosampling program revealed that the enantioselectivity profile was dominated by the deformation of the organocatalyst.
The Journal of organic chemistry, 2025年04月04日, ［査読有り］

Unraveling the unfolding mechanism of pseudoazurin: Insights into stabilizing cupredoxin fold as a common domain of Cu-containing proteins.
Takahide Yamaguchi; Attila Taborosi; Kiyokazu Tsugane; Kathleen Wood; Andrew E Whitten; Seiji Mori; Takamitsu Kohzuma, Understanding protein unfolding mechanisms is crucial for comprehending protein-folding related diseases, developing diagnostic methods, and designing proteins with desired stability for medicinal or industrial applications. However, investigating structures at atomic resolution is often difficult due to the flexibility and transiency of unfolding intermediate states. Pseudoazurin (PAz) is a well-characterized simple cupredoxin composed of a small polypeptide (124 amino acids) and a single metal cofactor (Cu2+), making it suitable to study the unfolding mechanism. In this study, combining the merits of structure determination by small-angle neutron scattering (SANS) and molecular dynamics (MD) simulations enabled us to access the details of the unfolding mechanism. The unfolding of PAz proceeds through a two-step mechanism involving the "native", "open-domain", and "random-coil" states. Several amino acid residues at the vicinity of Cu2+ ion are involved in the structural transitions, where the interactions among these residues are important in controlling the stability of PAz. These findings may be applicable to stabilizing metalloproteins with cupredoxin domain structures.
Journal of inorganic biochemistry, 2025年04月02日

Decomposition Analysis for Visualization of Noncovalent Interactions Based on the Fragment Molecular Orbital Method.
Dmitri G Fedorov; Diego Inostroza; Bastien Courbiere; Fréderic Guegan; Julia Contreras-García; Seiji Mori, Many-body expansions of the electron density and Fock matrix in the fragment molecular orbital method (FMO) are used to reveal the role of polarization and charge transfer on noncovalent interactions (NCI). In addition to the physicochemical insight gained from these analyses, the use of FMO permits a rapid evaluation of electron densities to study NCI. The developed method is applied to a solvated sodium cation and a small polypeptide, validating the accuracy of the approach with respect to full calculations and revealing the role of polarization and charge transfer in NCI. In order to show the full potential of the approach, the FMO/NCI method is applied to a complex of the Trp-cage (PDB: 1L2Y) protein with a ligand, delivering fruitful insights into binding from both density and energy perspectives. NCI is shown to provide a comprehensive visual picture of interactions that might be missed without it, in particular, interactions between functional groups in a fragment.
Journal of chemical theory and computation, 2025年02月19日, ［査読有り］

Enantioselective Synthesis of Chiral Ferrocenyl Aminoalcohols: Simultaneous Induction of Multiple Types of Chirality by a Rhodium-Catalyzed Asymmetric Ring-Opening Strategy.
Takamu Isoda; Komei Jimba; Kyohei Kawashima; Takahiro Nishinoiri; Seiji Mori; Akihiro Tsurusaki; Ken Kamikawa, Chiral ferrocenyl aminoalcohols were enantioselectively synthesized via the rhodium-catalyzed asymmetric aminative ring- opening of 1,4-epoxy-1,4-dihydronaphthalenylferrocenes. A planar chiral phosphine-olefin ligand consisting of a cyclopentadienyl (Cp) manganese scaffold provided excellent catalytic performance, furnishing the ring-opening products in high yield and enantioselctivity (up to 99:1 enantiomeric ratio (e.r.)). The enantioselectivity could be further improved by changing the steric congestion in the cyclopentadienyl unit of the ferrocenyl fragment of the starting 1,4-epoxy-1,4-dihydronaphthalenylferrocene. Density functional theory (DFT) calculations confirmed the high enantioselective induction in the ring-opening reaction, estimating an e.r. of 99:1, which is in excellent agreement with the experimental results. The application of the thus obtained chiral ferrocenyl aminoalcohols as ligands in asymmetric reactions was also investigated.
Angewandte Chemie (International ed. in English), 2025年02月05日, ［査読有り］

Aggregation-induced enhanced fluorescence emission of chiral Zn(II) complexes coordinated by Schiff-base type binaphthyl ligands.
Daiki Tauchi; Katsuya Kanno; Masashi Hasegawa; Yasuhiro Mazaki; Kazunori Tsubaki; Ken-Ichi Sugiura; Takuya Shiga; Seiji Mori; Hiroyuki Nishikawa, A pair of novel chiral Zn(II) complexes coordinated by Schiff-base type ligands derived from BINOL (1,1'-bi-2-naphthol), R-/S-Zn, were synthesized. X-ray crystallography revealed the presence of two crystallographically independent complexes; one has a distorted trigonal-bipyramidal structure coordinated by two binaphthyl ligands and one disordered methanol molecule (molecule A), while the other has a distorted tetrahedral structure coordinated by two binaphthyl ligands (molecule B). Numerous CH⋯π and CH⋯O interactions were identified, contributing to the formation of a 3-dimensional rigid network structure. Both R-/S-Zn exhibited fluorescence in both CH2Cl2 solutions and powder samples, with the photoluminescence quantum yields (PLQYs) of powder samples being twice as large as those in solutions, indicating aggregation-induced enhanced emission (AIEE). The AIEE properties were attributed to the restraint of the molecular motion arising from the 3-dimensional intermolecular interactions. CD and CPL spectra were observed for R-/S-Zn in both solutions and powders. The dissymmetry factors, gabs and gCPL values, were within the order of 10-3 to 10-4 magnitudes, comparable to those reported for chiral Zn(II) complexes in previous studies.
Dalton transactions (Cambridge, England : 2003), 2024年05月28日

Asymmetric Cross Couplings of Trifluoromethyl Radical to Vinylarenes with N-Hydroxy-oxazinediones and Subsequent Aerobic Oxidative Homocoupling of 2-Naphthols Catalysed by Chiral Vanadyl Complexes
Chien-Tien Chen; Shiang-Fu Hung; Bang-You Tsai; Tsung-Cheng Chen; Chien-I Lein; Pin-Xuan Tseng; Yu-Chang Chang; Chin-Wei Chuang; Rachit Agarwal; Chan-Wei Hsu; Yuto Shimizu; Ryoma Fujii; Seiji Mori, ラスト(シニア)オーサー, Wiley-VCH
Advanced Synthesis & Catalysis, 2023年11月27日, ［査読有り］

〔主要な業績〕Theoretical Investigations of Palladium-Catalyzed [3+2] Annulation via Benzylic and meta C−H Bond Activation
Theoretical Investigations of Palladium-Catalyzed [3+2] Annulation via Benzylic and meta C-H Bond Activation, ラスト(シニア)オーサー, Abstract

The palladium‐catalyzed reaction of aromatic amides with maleimides results in the formation of a double C−H bond activation product, which occurs at both the benzylic and meta positions. Computational chemistry studies suggest that the first C−H bond activation unfolds via a six‐membered palladacycle, maleimide insertion, protonation of the Pd−N bond, and then activation of the meta C−H bond. The process concludes with reductive elimination, producing an annulation product. The energy decomposition analysis (EDA) showed that the deformation energy favors the ortho C−H bond activation process. However, this route is non‐productive. The interaction energy controls the site where the maleimide is inserted into the Pd−C(sp³) bond, which determines its site selectivity. The energetic span model indicates that the meta C−H bond activation step is the one that determines the turnover frequency. Regarding the directing group, it has been concluded that the strong Pd−S bonding and the destabilizing effect of the deformation energy allow the 2‐thiomethylphenyl to function effectively as a directing group., Wiley
Chemistry-An Asian Journal, 2023年08月03日, ［査読有り］, ［招待有り］

Systematic elucidation of the second coordination sphere effect on the structure and properties of a blue copper protein, pseudoazurin
Takahide Yamaguchi; Attila Taborosi; Chihiro Sakai; Kohei Akao; Seiji Mori; Takamitsu Kohzuma, Elsevier
Journal of Inorganic Biochemistry, 2023年06月15日, ［査読有り］

Incorporation of a bromine atom into DNA-related molecules changes their electronic properties
Misaki Hirato; Akinari Yokoya; * Yuji Baba; Seiji Mori; Kentaro Fujii; Shin-ichi Wada; Yudai Izumi; and Yoshinori Haga, To understand the mechanism underlying the high radio-sensitisation of living cells possessing brominated genomic DNA, X-ray photoelectron spectroscopy (XPS) using synchrotron X-rays with energies of 2000 or 2500 eV was used to study brominated and nonbrominated nucleobases, nucleosides and nucleotides. The bromine atom significantly reduced the energy gap between the valence and conduction states, although the core level states were not greatly affected. This finding was supported by quantum chemical calculation for the nucleobases and nucleosides. Our findings strongly indicate that the energy gaps between the valence and conduction levels of the molecules are significantly reduced by bromination. Furthermore, the brominated molecules are more likely to produce inelastic scattering low energy electrons upon exposure to 2000 or 3000 eV X-rays. This modification of electronic properties around the brominated group may both facilitate electron transfer to the brominated site in DNA and increase the probability of reaction with low energy electrons. These processes can induce DNA damage, presumably resulting in debromination of the uracil moiety and a subsequent cytotoxic effect., RSC publisher
Physical Chemistry Chemical Physics, 2023年05月11日, ［査読有り］

Experimental and theoretical studies of the rhodium(I)-catalysed C-H oxidative alkenylation/cyclization of N-(2-(methylthio)phenyl)benzamides with maleimides
Aymen SKHIRI; Attila Taborosi; Nozomi Ohara; Yusuke Ano; Seiji Mori; * and Naoto Chatani*, 責任著者, Royal Society of Chemistry
Organic Chemistry Frontiers, 2023年02月13日, ［査読有り］

Neutron crystallography and quantum chemical analysis of bilin reductase PcyA mutants reveal substrate and catalytic residue protonation states
Tatsuya Joutsuka; Ryota Nanasawa; Keisuke Igarashi; Kazuki Horie; Masakazu Sugishima; Yoshinori Hagiwara; Kei Wada; Keiichi Fukuyama; Naomine Yano; Seiji Mori; Andreas Ostermann; Katsuhiro Kusaka; Masaki Unno, Elsevier BV
Journal of Biological Chemistry, 2022年12月01日, ［査読有り］

Non-innocent redox behavior of CuII–p-dimethylaminophenolate complexes: formation and characterization of the CuI–phenoxyl radical species
Yuto Shima; Takashi Suzuki; Hitoshi Abe; Tatsuo Yajima; Seiji Mori and Yuichi Shimazaki
Chem.Commun., 2022年05月04日, ［査読有り］

Iridium(III)-Catalyzed Asymmetric Site-Selective Carbene C–H Insertion during Late-Stage Transformation
Yuki Yamakawa; Takashi Ikuta; Hiroki Hayashi; Keigo Hashimoto; Ryoma Fujii; Kyohei Kawashima; Seiji Mori; Tatsuya Uchida*; and Tsutomu Katsuki
The Journal of Organic Chemistry, 2022年05月03日, ［査読有り］

Lanostane triterpenoids from cultivated fruiting bodies of basidiomycete Ganoderma mbrekobenum
44.Arunrat Yangchum; Ryoma Fujii; Wilunda Choowong; Pranee Rachtawee; Maneerat Pobkwamsuk; Thitiya Boonpratuang; Seiji Mori; Masahiko Isaka
Phytochemistry, 2022年04月01日, ［査読有り］

Integrated Experimental and Computational Studies on the Organocatalytic Kinetic Resolution of β-Unfunctionalized Primary Alcohols Using a Chiral 1,2-Diamine: The Importance of Noncovalent Interactions
Naoki Sakai; Kohei Ojima; Seiji Mori*; and Takeshi Oriyama*, 責任著者, American Chemical Society
The Journal of Organic Chemistry, 2022年02月24日, ［査読有り］

〔主要な業績〕Reaction Path Determination of Rhodium(I)-Catalyzed C–H Alkylation of N-8-Aminoquinolinyl Aromatic Amides with Maleimides
Attila Taborosi; Oiyuan He; Yusuke Ano; Naoto Chatani; Seiji Mori, 責任著者, ACS Publications
The Journal of Organic Chemistry, 2021年12月28日, ［査読有り］

Solid State Characterization of One- and Two-Electron Oxidized CuII-salen Complexes with para-Substituents: Geometric Structure-Magnetic Property Relationship
Tomoyuki Takeyama; Takashi Suzuki; Misa Kikuchi; Misato Kobayashi; Hiromi Oshita; Kyohei Kawashima; Seiji Mori; Hitoshi Abe; Norihisa Hoshino; Satoshi Iwatsuki; Yuichi Shimazaki, Wiley
European Journal of Inorganic Chemistry, 2021年10月05日, ［査読有り］

H/D Isotope Effects in Keto-Enol Tautomerism of β-Dicarbonyl Compounds —Importance of Nuclear Quantum Effects of Hydrogen Nuclei—
Taro Udagawa; * Rhys B. Murphy; Tamim A. Darwish; Masanori Tachikawa; * and Seiji Mori *, ラスト(シニア)オーサー, 日本化学会
Bulletin of the Chemical Society of Japan, 2021年08月11日, ［査読有り］

Combined Computational and Experimental Studies on the Asymmetric Michael Addition of α-Aminomaleimides to β-Nitrostyrenes Using an Organocatalyst Derived from Cinchona Alkaloid
Naoki Sakai; Kyohei Kawashima; Masashi Kajitani; Seiji Mori; and Takeshi Oriyama, 責任著者, American Chemical Society
Organic Letters, 2021年07月13日, ［査読有り］

Calculation of CYP450 protein–ligand binding and dissociation free energy paths
Kuan-Hsuan Su; Chin-Teng Wu; Shang-Wei Lin; Seiji Mori; Wei-Min Liu; and Hsiao-Ching Yang
The Journal of Chemical Physics, 2021年07月09日, ［査読有り］, ［招待有り］

〔主要な業績〕Enantioselective Radical Type, 1,2-Oxytrifluoromethylation of Olefins Catalyzed by Chiral Vanadyl Complexes: Importance of Noncovalent Interactions
Chien-Tien Chen*; Yu-Cheng Su; Chia-Hao Lu; Chien-I Lien; Shiang-Fu Hung; Chan-Wei Hsu; Rachit Agarwal; Ramuasagar Modala; Hung-Min Tseng; Pin-Xuan Tseng; Ryoma Fujii; Kyohei Kawashima; and Seiji Mori*, ラスト(シニア)オーサー
ACS Catalysis, 2021年06月04日, ［査読有り］

〔主要な業績〕Combined MD and QM/MM Investigations of Hydride Reduction of 5α-Dihydrotestosterone Catalyzed by Human 3α-Hydroxysteroid Dehydrogenase Type 3: Importance of Noncovalent Interactions
Hiroaki Mitsuizumi; Seiji Mori, ラスト(シニア)オーサー, American Chemical Society
The Journal of Physical Chemistry B, 2021年05月09日, ［査読有り］, ［招待有り］

Front Cover Picture: Iridium‐Catalyzed Enantioselective Transfer Hydrogenation of Ketones Controlled by Alcohol Hydrogen‐Bonding and sp³‐C−H Noncovalent Interactions (Adv. Synth. Catal. 21/2020)
Hiroaki Murayama; Yoshito Heike; Kosuke Higashida; Yohei Shimizu; Nuttapon Yodsin; Yutthana Wongnongwa; Siriporn Jungsuttiwong; Seiji Mori; Masaya Sawamura, Wiley
Advanced Synthesis & Catalysis, 2020年09月15日

Highly Modified Lanostane Triterpenes from the Wood-Rot Basidiomycete Ganoderma colossus: Comparative Chemical Investigations of Natural and Artificially Cultivated Fruiting Bodies and Mycelial Cultures
Masahiko Isaka; Panida Chinthanom; Rattaket Choeyklin; Tuksaporn Thummarukcharoen; Pranee Rachtawee; Malipan Sappan; Kitlada Srichomthong; Ryoma Fujii; Kyohei Kawashima; Seiji Mori, ラスト(シニア)オーサー, American Chemical Society
Journal of Natural Products, 2020年07月08日, ［査読有り］

Iridium‐Catalyzed Enantioselective Transfer Hydrogenation of Ketones Controlled by Alcohol Hydrogen‐Bonding and sp³‐C–H Noncovalent Interactions
Hiroaki Murayama; Yoshito Heike; Kosuke Higashida; Yohei Shimizu; Nuttapon Yodsin; Yutthana Wongnongwa; Siriporn Jungsuttiwong; Seiji Mori; Masaya Sawamura, 責任著者, Wiley-VCH
Advanced Synthesis & Catalysis, 2020年06月23日, ［査読有り］

有機合成化学および錯体化学における非共有結合性相互作用の重要性　　　　　　　　　　　　　　　
森 聖治、川島恭平, 筆頭著者, 理論化学会
フロンティア, 2020年04月, ［査読有り］, ［招待有り］

Vanadyl Species-Catalyzed 1, 2-Oxidative Trifluoromethylation of Unactivated Olefins
Chien-Tien Chen; Ya-Pei Chen; Bang-You Tsai; Yi-Ya Liao; Yu-Cheng Su; Tsung-Cheng Chen; Chia-Hao Lu; Ryoma Fujii; Kyohei Kawashima; Seiji Mori, ラスト(シニア)オーサー, American Chemical Society
ACS Catalysis, 2020年02月21日, ［査読有り］

Benzophenone and chromone derivatives and their dimers from the scale-insect pathogenic fungus Orbiocrella petchii BCC 51377
Masahiko Isaka; Somporn Palasarn; WilundaChoowong; Kyohei Kawashima; SeijiMori; Suchada Mongkolsamrit; Donnay, Thanakitpipattana
Tetrahedron, 2019年11月08日, ［査読有り］

Design and characterization of a 2-(2-hydroxyphenyl)benzimidazole-based Sr²⁺-selective fluorescent probe in organic and micellar solution systems
Kazuhiro Akutsu-Suyama; Seiji Mori; Takayasu Hanashima, Royal Society of Chemistry
Photochemical & Photobiological Sciences, 2019年09月03日, ［査読有り］

The effect of π–π stacking interaction of the indole ring with the coordinated phenoxyl radical in a nickel(ii)-salen type complex. Comparison with the corresponding Cu(ii) complex
Hiromi Oshita; Takashi Suzuki; Kyohei Kawashima; Hitoshi Abe; Fumito Tani; Seiji Mori; Tatsuo Yajima; Yuichi Shimazaki
Dalton Transactions, 2019年08月, ［査読有り］

π‐π Stacking Interaction in an Oxidized CuII‐salen Complex with a Side Chain Indole Ring. An Approach to the Function of the Tryptophan in the Active Site of Galactose Oxidase
Hiromi Oshita; Takashi Suzuki; Kyohei Kawashima; Hitoshi Abe; Fumito Tani; Seiji Mori; Tatsuo Yajima; Yuichi Shimazaki
Chem. Eur. J., 2019年06月, ［査読有り］

Cavity Closure of 2-Hydroxypropyl-β-Cyclodextrin: Replica Exchange Molecular Dynamics Simulations
Khanittha Kerdpol; Jintawee Kicuntod; Peter Wolschann; Seiji Mori; Chompoonut Rungnim; Manaschai Kunaseth; Hisashi Okumura; Nawee Kungwan; Thanyada Rungrotmongkol, MDPI
Polymers, 2019年01月16日, ［査読有り］

Theoretical investigations of Rh‐catalyzed asymmetric 1, 4‐addition to enones using planar‐chiral phosphine‐olefin ligands
Kyohei Kawashima; Takehiro Sato; Masamichi Ogasawara; Ken Kamikawa; Seiji Mori, ラスト(シニア)オーサー, Wiley
Journal of computational chemistry, 2019年01月05日, ［査読有り］, ［招待有り］

密度汎関数法計算で解明された金属触媒による炭素不活性結合の活性化反応機構に関する最近の進展
森 聖治, 筆頭著者, 錯体化学会
Bull. Jpn. Soc. Coord. Chem., 2018年11月30日, ［査読有り］, ［招待有り］

QM/MM Investigation for Protonation States in a Bilin Reductase PcyA‐Biliverdin IXɑ Complex
Eri Iijima; M; Paul Gleeson; Masaki Unno; Seiji Mori, ラスト(シニア)オーサー, Wiley
ChemPhysChem, 2018年08月07日, ［査読有り］

Characterization of the one-electron oxidized Cu(II)-salen complexes with a side chain aromatic ring: the effect of the indole ring on the Cu(II)-phenoxyl radical species
Hiromi Oshita; Takayoshi Yoshimura; Seiji Mori; Fumito Tani; Yuichi Shimazaki; Osamu Yamauchi
JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY, 2018年01月, ［査読有り］, ［招待有り］

Enantiocontrol by assembled attractive interactions in copper-catalyzed asymmetric direct alkynylation of α-ketoesters with terminal alkynes: OH・・・O/sp3-CH・・・O two-point hydrogen-bonding combined with dispersive attractions
Martin C Schwarzer; Akane Fujioka; Takaoki Ishii; Hirohisa Ohmiya; Seiji Mori; Masaya Sawamura, Royal Society of Chemistry
Chemical Science, 2018年, ［査読有り］

Characterization of Group 10-Metal-p-Substituted Phenoxyl Radical Complexes with Schiff Base Ligands.
Hiromi Oshita; Misa Kikuchi; Kaoru Mieda; Takashi Ogura; Takayoshi Yoshimura; Fumito Tani; Tatsuo Yajima; Hitoshi Abe; Seiji Mori; Yuichi Shimazaki
CHEMISTRYSELECT, 2017年10月, ［査読有り］

Combined Theoretical and Experimental Studies of Nickel-Catalyzed Cross-Coupling of Methoxyarenes with Arylboronic Esters via C–O Bond Cleavage
Martin C. Schwarzer; Ryosuke Konno; Takayuki Hojo; Akimichi Ohtsuki; Keisuke Nakamura; Ayaka Yasutome; Hiroaki Takahashi; Toshiaki Shimasaki; Mamoru Tobisu; Naoto Chatani; Seiji Mori
J. Am. Chem. Soc., 2017年08月, ［査読有り］

Asymmetric Synthesis of β‐Lactams through Copper‐Catalyzed Alkyne‐Nitrone Coupling with Prolinol‐Phosphine Chiral Ligand
Yurie Takayama; Takaoki Ishii; Hirohisa Ohmiya; Tomohiro Iwai; Martin C Schwarzer; Seiji Mori; Tohru Taniguchi; Kenji Monde; Masaya Sawamura
Chem. Eur. J., 2017年06月, ［査読有り］

Exploring the full catalytic cycle of rhodium(I)BINAP-catalysed isomerisation of allylic amines: a graph theory approach for path optimisation
Takayoshi Yoshimura; Satoshi Maeda; Tetsuya Taketsugu; Masaya Sawamura; Keiji Morokuma; Seiji Mori
CHEMICAL SCIENCE, 2017年06月, ［査読有り］

Investigation of substitution effect on fluorescence properties of Zn2+-selective ratiometric fluorescent compounds: 2-(2 '-Hydroxyphenyl)benzimidazole derivatives
Kazuhiro Akutsu; Seiji Mori; Kenichi Shinmei; Hiroki Iwase; Yoshiharu Nakano; Yuki Fujii
TALANTA, 2016年01月, ［査読有り］

The molecular mechanism of palladium-catalysed cyanoesterification of methyl cyanoformate onto norbornene
Takuya Ishitsuka; Yasuhiro Okuda; Robert K. Szilagyi; Seiji Mori; Yasushi Nishihara
DALTON TRANSACTIONS, 2016年, ［査読有り］

Copper-Catalyzed γ-Selective and Stereospecific Allylic Cross-Coupling with Secondary Alkylboranes
Yuto Yasuda; Kazunori Nagao; Yoshinori Shido; Seiji Mori; Hirohisa Ohmiya; Masaya Sawamura
Chem. Eur. J., 2015年, ［査読有り］

Copper-catalyzed enantioselective allylic cross-coupling with alkylboranes
Hojoh, K.; Shido, Y.; Nagao, K.; Mori, S.; Ohmiya, H.; Sawamura, M.
Tetrahedron, 2015年, ［査読有り］

Skeletal Rearrangement of Cyano-Substituted Iminoisobenzofurans into Alkyl 2-Cyanobenzoates Catalyzed by B(C6F5)(3)
Jing Li; Yasuhiro Okuda; Jiaji Zhao; Seiji Mori; Yasushi Nishihara
ORGANIC LETTERS, 2014年10月, ［査読有り］

Mechanistic insights into the catalytic reaction of plant allene oxide synthase (pAOS) via QM and QM/MM calculations
Tuanjai Somboon; Jun Ochiai; Witcha Treesuwan; M. Paul Gleeson; Supa Hannongbua; Seiji Mori
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2014年07月

Facile Estimation of Catalytic Activity and Selectivities in Copolymerization of Propylene Oxide with Carbon Dioxide Mediated by Metal Complexes with Planar Tetradentate Ligand
Takahiro Ohkawara; Kohei Suzuki; Koji Nakano; Seiji Mori; Kyoko Nozaki
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2014年07月, ［査読有り］

Redox Chemistry of Nickel(II)-Complexes Supported by a Series of Non-innocent β-Diketiminate Ligands
June Takaichi; Yuma Morimoto; Kei Ohkubo; Chizu Shimokawa; Takayuki Hojo; Seiji Mori; Haruyasu Asahara; Hideki Sugimoto; Nobutaka Fujieda; Nagatoshi Nishiwaki; Shunichi Fukuzumi; Shinobu Itoh
Inorg. Chem., 2014年06月

Theoretical Studies of Rhodium-Catalyzed Borylation of Nitriles through Cleavage of Carbon-Cyano Bonds
Hirotaka Kinuta; Hiroaki Takahashi; Mamoru Tobisu; Seiji Mori; Naoto Chatani
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 2014年06月, ［査読有り］

Experimental and Theoretical Studies on the Platinum-Mediated Selective C(sp)−Si Bond Cleavage of Alkynylsilanes
Yasuhiro Okuda; Yuya Ishiguro; Seiji Mori; Kiyohiko Nakajima; Yasushi Nishihara
Organometallics, 2014年04月, ［査読有り］

The origin of exo-selectivity in methyl cyanoformate addition onto the C=C bond of norbornene in Pd-catalyzed cyanoesterification
Yasuhiro Okuda; Robert K. Szilagyi; Seiji Mori; Yasushi Nishihara
DALTON TRANSACTIONS, 2014年, ［査読有り］

Cooperative Catalysis of Metal and O-H・・・O/sp3-C-H・・・O Two-point Hydrogen Bonds in Alcoholic Solvents: Copper-catalyzed Enantioselective Direct Alkynylation of Aldehydes with Terminal Alkynes
Takaoki Ishii; Ryo Watanabe; Toshimitsu Moriya; Hirohisa Ohmiya; Seiji Mori; Masaya Sawamura
Chem. Eur. J., 2013年09月, ［査読有り］

An Efficient Access to Aspermytin A and Oblongolide C through an Intramolecular Nitrile Oxide-Alkene [3+2] Cycloaddition
Atsushi Inoue; Makoto Kanematsu; Seiji Mori; Masahiro Yoshida; Kozo Shishido
SYNLETT, 2013年01月, ［査読有り］

An Osmium(III)/Osmium(V) Redox Couple Generating Os-V(O)(OH) Center for cis-1,2-Dihydroxylation of Alkenes with H2O2: Os Complex with a Nitrogen-Based Tetradentate Ligand
Hideki Sugimoto; Kazuhiro Kitayama; Seiji Mori; Shinobu Itoh
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2012年11月, ［査読有り］

Quantum chemical studies on the role of water microsolvation in interactions between group 12 metal species (Hg2+, Cd2+, and Zn2+) and neutral and deprotonated cysteines
Seiji Mori; Takahiro Endoh; Yuki Yaguchi; Yuuhei Shimizu; Takayoshi Kishi; Tetsuya K. Yanai
THEORETICAL CHEMISTRY ACCOUNTS, 2011年10月, ［招待有り］

Theoretical studies on model reaction pathways of prostaglandin H-2 isomerization to prostaglandin D-2/E-2
Naoto Yamaguchi; Tatsuya Naiki; Takamitsu Kohzuma; Toshikazu Takada; Fumihiko Sakata; Seiji Mori
THEORETICAL CHEMISTRY ACCOUNTS, 2011年01月, ［査読有り］

UV resonance Raman studies on the activation mechanism of human hematopoietic prostaglandin D-2 synthase by a divalent cation, Mg2+
Yoshiko Uchida; Yoshihiro Urade; Seiji Mori; Takamitsu Kohzuma
JOURNAL OF INORGANIC BIOCHEMISTRY, 2010年03月, ［査読有り］

Regioselective Synthesis of Heterocycles Containing Nitrogen Neighboring an Aromatic Ring by Reductive Ring Expansion Using Diisobutyl aluminum Hydride and Studies on the Reaction Mechanism
Hidetsura Cho; Yusuke Iwama; Kenji Sugimoto; Seiji Mori; Hidetoshi Tokuyama
JOURNAL OF ORGANIC CHEMISTRY, 2010年02月, ［査読有り］

2SC1013 Theoretical analysis for structures and reaction mechanisms of atypical cytochrome P450(2SC Structure and Function of Weak Interaction in Metalloproteins-Protein Field and Highly Organized Specific Reaction,The 48th Annual Meeting of the Biophysical Society of Japan)
森 聖治, 一般社団法人 日本生物物理学会
生物物理, 2010年

The effects of C–S and C–Se bonds on torquoselectivity: stereoselective olefination of alpha-thio and alpha-selenoketones with ynolates
Takashi Yoshikawa; Seiji Mori; Mitsuru Shindo
Tetrahedron, 2009年10月, ［査読有り］

Regioselective synthesis of unsubstituted basic skeletons of heterocycles containing nitrogen neighboring an aromatic ring by the reductive ring expansion reaction using diisobutylaluminum hydride (DIBAH)
Hidetsura Cho; Yusuke Iwama; Kenji Sugimoto; Seiji Mori; Eunsang Kwon; Hidetoshi Tokuyama
The 23rd International Congress on Heterocyclic Chemistry (ICHC2009), 2009年07月

Equilibrium and ab initio computational studies on the adduct formation of 1,3-diketonato-lithium(I), -sodium(I) and -potassium(I) with 1, 10-phenanthroline and its 2,9-dimethyl derivatives
Ken-ichiro Ishimori; Seiji Mori; Yuji Ito; Kousaburo Ohashi; Hisanori Imura
TALANTA, 2009年06月, ［査読有り］

The Effect of Alkynyl Groups on Torquoselectivity. Highly Stereoselective Olefination of Alkynyl Ketones with Ynolates
Takashi Yoshikawa; Seiji Mori; Mitsuru Shindo
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2009年02月, ［査読有り］

Theoretical Study of the Cycloaddition Reaction of a Tungsten-Containing Carbonyl Ylide
Kazuta Ito; Yoshihiro Hara; Seiji Mori; Hiroyuki Kusama; Nobuharu Iwasawa
CHEMISTRY-A EUROPEAN JOURNAL, 2009年, ［査読有り］

Density Functional Studies on Isomerization of Prostaglandin H-2 to Prostacyclin Catalyzed by Cytochrome P450
Tetsuya K. Yanai; Seiji Mori
CHEMISTRY-A EUROPEAN JOURNAL, 2009年, ［査読有り］

Torquoselective olefination of carbonyl compounds with ynolates: Highly efficient stereoselective synthesis of tetrasubstituted alkenes
Mitsuru Shindo; Seiji Mori
SYNLETT, 2008年09月, ［査読有り］

イノラートによる回転選択的オレフィン化反応
新藤 充; 森 聖治
有機合成化学協会誌, 2008年01月, ［査読有り］

Density Functional Studies on Thromboxane Biosynthesis: Mechanism and Role of the Heme-Thiolate System
Tetsuya K. Yanai; Seiji Mori
CHEMISTRY-AN ASIAN JOURNAL, 2008年, ［査読有り］

Quantum treatment of hydrogen nuclei in primary kinetic isotope effects in a thermal [1,5]-sigmatropic hydrogen (or deuterium) shift from (Z)-1,3-pentadiene
Yasuaki Itou; Seiji Mori; Taro Udagawa; Masanori Tachikawa; Takayoshi Ishimoto; Umpei Nagashima
JOURNAL OF PHYSICAL CHEMISTRY A, 2007年01月, ［査読有り］

Transition states of binap-rhodium(I)-catalyzed asymmetric hydrogenation: Theoretical studies on the origin of the enantioselectivity
Seiji Mori; Thom Vreven; Keiji Morokuma
CHEMISTRY-AN ASIAN JOURNAL, 2006年09月, ［査読有り］

Heteroatom-guided torquoselective olefination of alpha-oxy and alpha-amino ketones via ynolates
M Shindo; T Yoshikawa; Y Itou; S Mori; T Nishii; K Shishido
CHEMISTRY-A EUROPEAN JOURNAL, 2005年12月, ［査読有り］

Elucidation of the mechanism of the 1,6-cuprate addition to acceptor-substituted enynes through C-13 kinetic isotope effects: Experimental and theoretical studies
S Mori; M Uerdingen; N Krause; K Morokuma
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2005年, ［査読有り］

Hyperconjugative Effects in the Stereoselective Ring Opening Reactions of Oxetenoxides　　　　　　　　　　　　　　　
Seiji Mori; Mitsuru Shindo
Org. Lett., 2004年10月, ［査読有り］

Mechanism of addition of organocuprates to alkynyl carbonyl compounds. A mechanistic bridge between carbocupration and conjugate addition
S Mori; E Nakamura; K Morokuma
ORGANOMETALLICS, 2004年03月, ［査読有り］

Quantum chemical studies on interactions between heavy metal species and biomolecules　　　　　　　　　　　　　　　
Seiji Mori; Takahiro Endoh; Takayoshi Kishi
RMZ-Materials and Geoenvironment, Part 3, 2004年

Iron(III) chloride-catalyzed convenient one-pot synthesis of homoallyl benzyl ethers starting from aldehydes
T Watahiki; Y Akabane; S Mori; T Oriyama
ORGANIC LETTERS, 2003年08月, ［査読有り］

Mechanistic studies on organometallic reactions with the aid of high-precision quantum chemical calculations
Seiji Mori; Eiichi Nakamura, Society of Synthetic Organic Chemistry
Yuki Gosei Kagaku Kyokaishi/Journal of Synthetic Organic Chemistry, 2003年, ［査読有り］

高精度量子化学計算を用いた有機金属反応の解明　　　　　　　　　　　　　　　
森 聖治、中村栄一
有機合成化学協会誌, 2003年

Density functional studies on kinetic reactivity of "higher order" Lipshutz cuprate in addition reaction to acetylene
M Yamanaka; S Mori; E Nakamura
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 2002年08月, ［査読有り］

The first general method for Z-selective olefination of acylsilanes via ynolate anions providing multisubstituted alkenes
M Shindo; K Matsumoto; S Mori; K Shishido
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2002年06月, ［査読有り］

Kinetic reactivity of "higher order cuprates" in S(N)2 alkylation reactions
E Nakamura; M Yamanaka; N Yoshikai; S Mori
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2001年, ［査読有り］

Mechanism of S(N)2 alkylation reactions of lithium organocuprate clusters with alkyl halides and epoxides. Solvent effects, BF3 effects, and trans-diaxial epoxide opening
Seiji Mori; Eiichi Nakamura; Keiji Morokuma, American Chemical Society
Journal of the American Chemical Society, 2000年08月02日, ［査読有り］

Mechanism of S(N)2 alkylation reactions of lithium organocuprate clusters with alkyl halides and epoxides. Solvent effects, BF3 effects, and trans-diaxial epoxide opening
S Mori; E Nakamura; K Morokuma
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2000年08月, ［査読有り］

Correlation of reactivities of organocuprate(I) and zincate(II) with d-orbital energies of ate complexes
S Mori; A Hirai; M Nakamura; E Nakamura
TETRAHEDRON, 2000年04月, ［査読有り］

Mechanism of S_N2 Alkylation Reactions of Lithium Organocuprate Clusters with Alkyl Halides and Epoxides
Seiji Mori; E. Nakamura; K. Morokuma
J. Am. Chem. Soc., 2000年, ［査読有り］

Complexation of Lewis Acid on Trialkylcopper(III) Species. On the Origin of BF₃ Effects on Cuprate Conjugate Addition　　　　　　　　　　　　　　　
Eiichi Nakamura; Masahiro Yamanaka; Seiji Mori
J. Am. Chem. Soc., 2000年, ［査読有り］

Wherefore art thou copper? Structures and reaction mechanisms of organocuprate clusters in organic chemistry
E Nakamura; S Mori
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2000年, ［査読有り］

Correlation of coordination geometry of copper atom to reactivities of organocuprate. Molecular orbital analysis of dimethylcuprate anion
S Mori; E Nakamura
TETRAHEDRON LETTERS, 1999年07月, ［査読有り］

Theoretical studies on pi-complex formation of organocopper compounds with acetylene. The origin of nucleophilicity of organocuprates
S Mori; E Nakamura
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1999年04月, ［査読有り］, ［招待有り］

Density Functional Studies on Conjugate Addition of (Me₂CuLi)₂ to Cyclohexenone. Diastereoselectivity and Rate Limiting Step.　　　　　　　　　　　　　　　
Seiji Mori; Eiichi Nakamura
Chem. Eur. J., 1999年, ［査読有り］

Olefin carbometalation with (alkoxy)allylic lithium and zinc reagents. Four-centered vs six-centered mechanism of allylmetalation reaction
K Kubota; S Mori; M Nakamura; E Nakamura
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1998年12月, ［査読有り］

Theoretical Studies on S_N2-Reaction of MeBr with Me₂CuLi•LiCl. Solvent and Cluster Effects on Oxidative Addition/Reductive Elimination Pathway
Eiichi Nakamura; Seiji Mori; Keiji Morokuma
J. Am. Chem. Soc., 1998年08月, ［査読有り］

S(N)2 substitution on sp(2) nitrogen of protonated oxime
S Mori; K Uchiyama; Y Hayashi; K Narasaka; E Nakamura
CHEMISTRY LETTERS, 1998年, ［査読有り］

Endohedral homoconjugation in cyclopentadiene embedded in C60. Theoretical and electrochemical evidence
H Iikura; S Mori; M Sawamura; E Nakamura
JOURNAL OF ORGANIC CHEMISTRY, 1997年11月, ［査読有り］

Theoretical studies on the addition of polymetallic lithium organocuprate clusters to acetylene. Cooperative effects of metals in a trap-and-bite reaction pathway
Eiichi Nakamura; Seiji Mori; Masaharu Nakamura; Keiji Morokuma
Journal of the American Chemical Society, 1997年05月28日, ［査読有り］

Reaction pathway of the conjugate addition of lithium organocuprate clusters to acrolein
E Nakamura; S Mori; K Morokuma
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1997年05月, ［査読有り］

Unusually stable organomercury hydrides and radicals
E Nakamura; Y Yu; S Mori; S Yamago
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1997年03月, ［査読有り］

Fullerene that binds a metal on the pentagon
E Nakamura; M Sawamura; W Iikura; S Mori
PROCEEDINGS OF THE SYMPOSIUM ON RECENT ADVANCES IN THE CHEMISTRY AND PHYSICS OF FULLERENES AND RELATED MATERIALS, VOL 4, 1997年

Open dimer participation in chelation controlled addition of methyllithium dimer to alpha- and beta-alkoxy aldehydes
S Mori; BH Kim; M Nakamura; E Nakamura
CHEMISTRY LETTERS, 1997年, ［査読有り］

Theoretical Studies on Chelation Controlled Carbonyl Addition Me₂Mg Addition to α-and β-Alkoxy Ketones and Aldehydes.
Seiji Mori; Masaharu Nakamura; Eiichi Nakamura; Nobuaki Koga; Keiji Morokuma
J. Am. Chem. Soc., 1995年05月, ［査読有り］

Unusual Reactions Catalyzed by Cytochrome P450: Computational Studies on lsomerizations of Prostaglandin H(2)
Mori Seiji; Yanai K. Tetsuya
16TH INTERNATIONAL CONFERENCE ON CYTOCHROME P450, PROCEEDINGS, 2009年

Complexation of Lewis acid with trialkylcopper(III): On the origin of BF3-aceeleration of cuprate conjugate addition [13]
Eiichi Nakamura; Masahiro Yamanaka; Seiji Mori
Journal of the American Chemical Society, 2000年03月01日

(Z)‐1,3‐Pentadieneの熱的[1,5]‐水素転移反応における水素同位体効果に関する理論的研究
伊藤康昭; 森聖治; 宇田川太郎; 立川仁典; 石元孝佳; 長嶋雲兵
有機反応化学討論会研究発表・講演予稿集

計算化学 第３版　　　　　　　　　　　　　　　
後藤仁志 (監修); 後藤仁志 (訳); 立川仁典 (監修); 立川仁典 (訳); 長嶋雲兵 (監修); 長嶋雲兵 (訳); 五十幡康弘 (訳); 内田希 (訳); 神谷 浩二 (訳); 北 幸海 (訳); 小林 正人 (訳); 佐藤 啓文 (訳); 重田 育照 (訳); 砂賀 彩光 (訳); 武次 徹也 (訳); 常田 貴夫 (訳); 長谷川 淳也 (訳); 波田 雅彦 (訳); 森 聖治 (訳), 共訳, フランク・ジェンセン
森北出版, 2023年03月31日, ［査読有り］
9784627242333

Advances in Medicine and Biology, Volume 15　　　　　　　　　　　　　　　
T.K.Yanai; S.Mori, 共著
Nova Science Publishers, 2011年07月
9781611224672

量子物理化学入門　　　　　　　　　　　　　　　
寺阪利孝,森 聖治, 共著
三共出版, 2007年

有機化学概説　　　　　　　　　　　　　　　
Paula Y. Bruice著,大船,香月,西郷,富岡監訳, 共訳
化学同人, 2006年09月

ブルース有機化学（上）第4版　　　　　　　　　　　　　　　
共訳
化学同人, 2004年10月

第５版 実験化学講座,「計算化学」　　　　　　　　　　　　　　　
森 聖治、中村栄一, 共著
丸善, 2004年

Modern organocopper Chemistry(N. Krause, Ed.)　　　　　　　　　　　　　　　
Seiji Mori; Eiichi Nakamura, 共著
Wiley-VCH, 2002年

有機量子化学（藤本博編，共著）　　　　　　　　　　　　　　　
森 聖治、中村栄一, 共著
朝倉書店, 2001年

Introduction to Quantum Beam Science and Computational Studies on Enzymatic and Homogeneous Catalysis　　　　　　　　　　　　　　　
Seiji Mori
SMARTMAT 2024, 2024年11月07日, ［招待有り］
20241105, 20241108

Introduction to Quantum Beam Science and Quantum Chemical Studies on homogeneous catalysis　　　　　　　　　　　　　　　
Seiji Mori
International Symposium on Science and Education, 2024年06月06日, ［招待有り］
20240606, 20240606

Molybdenum−germanium triple−bonded complex as catalyst for hydroboration of carbonyl substrates　　　　　　　　　　　　　　　
C. Fontanilla; K. Nagata; Y. Shimizu; S. Mori; H. Hashimoto
The 9th Asian Silicon Symposium, 2024年05月16日
20240512, 20240517

〔主要な業績〕Importance of noncovalent interactions in homogeneous and enzymatic catalysis
Seiji Mori
PACCON2024, 2024年01月27日, ［招待有り］
20240126, 20240127

モリブデン-ゲルミリン錯体によるカルボニル化合物のヒドロホウ素化反応の理論的研究
清水 雄仁; Christof Israel Marbella Fontanilla; 長田浩一; 橋本 久子; 森 聖治
日本化学会第103春季年会(2023), 2023年03月22日
20230322, 20230325

ビリン還元酵素PcyA-ビリベルジンⅨα複合体の計算科学的研究
萬代充裕; 飯島愛璃; 圷優佳; 海野昌喜; 城塚達也; 森聖治
スーパーコンピュータワークショップ2022, 2023年01月17日, 自然科学研究機構 岡崎共通研究施設 計算科学研究センター
20230116, 20230117

ニッケル触媒による脱カルボニル化を含む塩化アシルのシアノ化反応に関する理論的研究　　　　　　　　　　　　　　　
穂積 玲於; 川島 恭平; 西原 康師; 森 聖治
錯体化学会第72回討論会, 2022年09月26日
20220926, 20220928

パラジウム触媒による[3+2]環化付加反応を含むベンジル及びメタ炭素-水素結合活性化反応に関する理論的研究　　　　　　　　　　　　　　　
吉元 理江、Attila Taborosi、Qiyuan He、阿野 勇介、茶谷 直人、森 聖治
錯体化学会第72回討論会, 2022年09月26日
20220926, 20220928

〔主要な業績〕Combined DFT and experimental studies on the importance of noncovalent interactions in vanadium-catalyzed oxidative trifluoromethylation reactions of olefins
Seiji Mori and Chien-Tien Chen
WATOC 2020, 2022年07月05日, ［招待有り］
20220703, 20220708

Theoretical Investigations of Palladium-Catalyzed Cross-Coupling of Alkenyl Carboxylates
岡本 優悟; 森 聖治
日本コンピュータ化学会2021秋季年会, 2021年11月02日, 日本コンピュータ化学会
20211102, 20211103

〔主要な業績〕Computational Perspectives of Non-covalent Interactions in Transition Metal- and Enzyme-catalyzed Reactions
Seiji Mori
錯体化学会第７1回討論会, 2021年09月16日, 錯体化学会, ［招待有り］
20210916, 20210919

バナジウム触媒によるオレフィンの1,2-酸化的トリフルオロメチル化反応における実験的・理論的研究
藤井 稜馬・川島 恭平・森 聖治・Su Yu-Cheng・Lu Chia-Hao・Lien Chien-I・Sagar Ramu・Chen Chien-Tien
第10回CSJ化学フェスタ2020, 2020年10月22日, 日本化学会
20201020, 20201022

Computational Insights into Structures and Reactions of Homogeneous and Enzymatic Catalysts　　　　　　　　　　　　　　　
Seiji Mori
The Organic & Biomolecular Chemistry conference co-organised by The Royal Australian Chemical Institute (RACI), Royal Melbourne Institute of Technology (RMIT) and the National Organic Symposium Trust (NOST), 2019年11月07日, ［招待有り］
20191106, 20191108

〔主要な業績〕Bridges between experiment and theory on catalytic functions
Seiji Mori
31st IUPAP Conference on Computational Physics (CCP2019), 2019年08月01日, ［招待有り］
20190728, 20190801

Mechanistic Insights into Metal-Catalyzed Highly Selective Homogeneous Organic Transformation Reactions　　　　　　　　　　　　　　　
Seiji Mori
The 10th International Conference of the Asian Consortium on Computational Materials Science (ACCMS-10), 2019年07月23日, ［招待有り］
20190722, 20190726

Bridges between Experiment and Theory on Catalytic functions　　　　　　　　　　　　　　　
Seiji Mori
23rd International Annual Symposium on Computational Science and Engineering (ANSCSE23), 2019年06月27日, ［招待有り］
20190627, 20190629

Bridges Between Experiment And Theory On Catalytic Functions　　　　　　　　　　　　　　　
Seiji Mori
Computer Aided Drug Design (CADD) 2018 Seminar and Workshop, 2018年11月28日, ［招待有り］
20181128, 20181130

Mechanistic Insights into MetalCatalyzed Highly Selective Organic Transformation Reactions　　　　　　　　　　　　　　　
Seiji Mori
22nd International Annual Symposium on Computational Science and Engineering, 2018年08月02日, ［招待有り］
20180802, 20180804

Mechanistic Insights into Metal-Catalyzed Highly Selective Organic Transformation Reactions
Seiji Mori
The 28th Canadian Symposium on Theoretical and Computational Chemistry (CSTCC 2018), 2018年07月15日, ［招待有り］
20180725, 20180729

Mechanistic Insights Into Transition Metal-Catalyzed Molecular Activation Reactions
Seiji Mori
8th Asia-Pacific Conference of Theoretical and Computational Chemistry (APCTCC-8), 2017年12月15日, ［招待有り］
20171215, 20171217

Graph theory approach in exploration of reaction path networks: Rh(I)BINAP-catalyzed isomerization of allylic amine　　　　　　　　　　　　　　　
Takayoshi Yoshimura; Satoshi Maeda; Tetsuya Taketsugu; Masaya Sawamura; Keiji Morokuma; Seiji Mori
11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC), 2017年08月28日
20170827, 20170901

Computational Studies of Biosyntheses of Prostaglandins and Related Signaling Compounds　　　　　　　　　　　　　　　
Seiji Mori
6th Georgian Bay International Conference on Bioinorganic Chemistry (CANBIC-6), 2017年05月23日, ［招待有り］
20170523, 20170527

Mechanistic Insights into Molecular Activation Reactions Based on Computational Chemistry　　　　　　　　　　　　　　　
Seiji Mori
10th International Conference on Computational Physics (ICCP10), 2017年01月16日, ［招待有り］
20170116, 20170120

Theoretical Insights into Molecular Activation Reactions　　　　　　　　　　　　　　　
Seiji Mori
Thai-Japan Symposium in Chemistry, 2016年11月15日, ［招待有り］
20161115, 20161115

Theoretical Study on Ni(0)-Catalyzed Cross-Coupling of Methoxyarenes with Arylboronic Esters via C-O Bond Activation　　　　　　　　　　　　　　　
Seiji Mori; Ryosuke Konno; Martin C. Schwarzer; H. Takahashi; Mamoru Tobisu; Naoto Chatani
10th congress on Electronic Structure: Principles and Applications (ESPA2016), 2016年06月28日

Introduction of Quantum Beam Science and Applications to Chemistry and Related Sciences　　　　　　　　　　　　　　　
Seiji Mori
8th International Kasetsart University Science and Technology Annual Research Symposium (i-KUStars), 2016年06月02日, ［招待有り］

Theoretical Studies of Molecular Activation Reactions-Mechanistic Insights and Rational Design of Catalysis-　　　　　　　　　　　　　　　
Seiji Mori
APCTCC7, 2016年01月25日, APCTCC7, ［招待有り］

Theoretical Studies of Molecular Activation Reactions -Mechanistic Insights and Rational Design of Catalysis-　　　　　　　　　　　　　　　
Seiji Mori
List of Participants for Molecular Design for Advanced Material : Workshop and Conference 2015, 2015年11月24日, ［招待有り］

Theoretical Studies of Molecular Activation Reactions,-Mechanistic Insights and Rational Design of Catalysis-　　　　　　　　　　　　　　　
Seiji Mori
List of Participants for Molecular Design for Advanced Material : Workshop and Conference 2015, 2015年11月24日, ［招待有り］

Computational Studies on Mechanistic Insights Into Prostaglandin Synthases　　　　　　　　　　　　　　　
Seiji Mori
ICoBio 2015, 2015年08月05日, ［招待有り］

Computational studies on complex mechanisms of organic and biological reactions　　　　　　　　　　　　　　　
Theoretical Chemistry on Functional Biomolecular Systems, 2015年02月10日, ［招待有り］

Theoretical Studies of Molecular Activation Reactions -Mechanistic Insights and Rational Design of Catalysis-　　　　　　　　　　　　　　　
Seiji Mori
The Second International Workshop on Computational Science and Engineering (IWCSE), 2014年12月14日, ［招待有り］

Computational Studies of Mechanistic Insight into Synthases of Prostaglandins and Related Signaling Compounds　　　　　　　　　　　　　　　
Seiji Mori
Vietnam Malaysian International Chemical Congress, 2014年11月07日, ［招待有り］

Theoretical studies on biosynthesis of prostaglandin G2 by cyclooxygenase-2　　　　　　　　　　　　　　　
Seiji Mori
ANSCSE 18, 2014年03月17日, ［招待有り］

Computational studies on C-C and C-H bond activation reactions in organic and biological chemistry　　　　　　　　　　　　　　　
Seiji Mori
2013 WFTCPC, 2013年12月09日, ［招待有り］

Quantum Chemical and Experimental Studies on Copper-catalyzed Enantioselective Direct Alkynylation of Aldehydes with Terminal Alkynes　　　　　　　　　　　　　　　
Seiji Mori; R. Watanabe; T.Ishii; T. Moriya; H. Ohmiya; M. Sawamura
APCTCC-6, 2013年07月10日, ［招待有り］

Computational studies on mechanistic insight into prostaglandin synthases　　　　　　　　　　　　　　　
Seiji Mori
Pure and Applied Chemistry International Conference 2013, 2013年01月23日, Chemical Society of Thailand, ［招待有り］

Computational Studies of Mechanistic Insight into Prostaglandin Synthases　　　　　　　　　　　　　　　
Seiji Mori; Takayuki Houjou; Ryo Watanabe; Tetsuya K. Yanai
TACC 2012, 2012年09月02日

分子動力学的手法を用いたプロスタサイクリン合成酵素と基質の複合体に関する研究　　　　　　　　　　　　　　　
渡部 良,吉村 誠慶,北條 貴之,森 聖治
第5回分子科学討論会2011札幌, 2011年09月21日

Computational Studies on Complex Organic/Biological Reaction Mechanisms　　　　　　　　　　　　　　　
Seiji Mori
14th Asian Chemical Congress, 2011年09月05日, ［招待有り］

AMBER force field parameterization of model iron-porphyrin complexes with density functional methods　　　　　　　　　　　　　　　
Takayoshi Yoshimura; Seiji Mori
14th Asian Chemical Congress, 2011年09月05日

Theoretical analysis for structures and reaction mechanisms of atypical cytochrome P450　　　　　　　　　　　　　　　
Seiji Mori
第４８回日本生物物理学会, 2010年09月21日, 日本生物物理学会, ［招待有り］

鉄(III)ポルフィリン錯体とエンドペルオキシドとの反応に関する理論的研究　　　　　　　　　　　　　　　
落合 純,野内 哲也,岡村 賢太,鈴木 潤,樋口 恒彦
第４回分子科学討論会2010大阪, 2010年09月15日

シトクロムP450 によるプロスタグランジンH2 の異性化反応に関する理論的研究　　　　　　　　　　　　　　　
森 聖治、渡部 良、野内哲也
日本化学会 第4 回関東支部大会, 2010年08月31日, 日本化学会

Computational Studies on Unusual Mechanisms of Reactions of Prostaglandin H2 Catalyzed by Cytochrome P450　　　　　　　　　　　　　　　
Seiji Mori; Tetsuya K. Yanai; Ryo Watanabe
Sixth international conference on porphyrins and phthalocyanines (ICPP-6), 2010年07月06日, Society of Porphyrins and Phthalocyanines (SPP)

Theoretical Studies on Endoperoxide O-O Bond Cleavage Catalyzed by Iron Porphyrin Complexes　　　　　　　　　　　　　　　
Seiji Mori; Jun Ochiai; Tetsuya K. Yanai; Tsunehiko Higuchi
14th International conference on biological inorganic chemistry (ICBIC 14), 2009年07月27日

Important insight into Reaction Mechanisms of Organic Syntheses and Biosyntheses from View of Computational Chemistry　　　　　　　　　　　　　　　
Seiji Mori
The International Symposium on Theory of Molecular Structure, Function and Reactivity ,Celebrating Prof. Morokuma's 75th birthday, 2009年07月20日, ［招待有り］

Unusual Reactions Catalyzed by Cytochrome P450: Density Functional Studies on Prostaglandin H2 Isomerizations　　　　　　　　　　　　　　　
Seiji Mori; Tetsuya K. Yanai
16th International Conference on Cytochrome P450, 2009年06月22日

Unusual Reactions Catalyzed by Cytochrome P450: Density Functional Studies on Prostaglandin H2 Isomerizations　　　　　　　　　　　　　　　
Tetsuya K. Yanai; Seiji Mori
4th Asian Biological Inorganic Chemistry Conference, 2008年11月10日

シクロペンタジエンの1,5-水素転移反応における速度同位体効果に関する理論的研究　　　　　　　　　　　　　　　
内記 達哉,伊藤 康昭,宇田川 太郎,立川 仁典,石元 孝佳,長嶋 雲兵,森 聖治
第２回分子科学討論会, 2008年09月24日

鉄化合物に対する密度汎関数法の信頼性に関する研究　　　　　　　　　　　　　　　
野内 哲也,落合 純,森 聖治
第２回分子科学討論会, 2008年09月24日

シトクロムP450 によるプロスタサイクリン生合成のモデル反応機構に関する理論的研究　　　　　　　　　　　　　　　
森 聖治・野内 哲也
第５８回錯体化学討論会, 2008年09月20日

Density functional studies on model isomerization reactions of prostaglandin H2 catalyzed by cytochrome P450　　　　　　　　　　　　　　　
Seiji Mori; Tetsuya K. Yanai
International Symposium on Molecular Theory for Real Systems, 2008年08月04日

Theoretical and UV Resonance Raman Spectroscopic Studies on Prostaglandin D2 Synthase: A Role of Glutathione and Active Site Structures in the Reaction Mechanisms.　　　　　　　　　　　　　　　
Naoto Yamaguchi; Tatsuya Naiki; Yoshiko Uchida; Takamitsu Kohzuma; Toshikazu Takada; Fumihiko Sakata; Yoshihiro Urade; Seiji Mori
International Symposium on Molecular Theory for Real Systems, 2008年08月04日

イノラートによるケトンの高立体選択的オレフィン化反応 －α位置換基の立体電子効果による回転選択性の制御　　　　　　　　　　　　　　　
吉川 孝、伊藤康昭、森 聖治、新藤 充
第6回次世代を担う有機化学シンポジウム, 2008年05月30日

12族金属イオンとシステインの相互作用における水和の影響に関する理論的研究　　　　　　　　　　　　　　　
矢口友貴; 熊谷衣莉; 遠藤崇浩; 野内哲也,森 聖治
日本化学会第88春季年会, 2008年03月

Theoretical Studies on Model Reaction Mechanisms of Prostanoid Synthases　　　　　　　　　　　　　　　
Seiji Mori; Tetsuya Yanai; Naoto Yamaguchi; Takamitsu Kohzuma; Toshikazu Takada; Fumihiko Sakata
Third Asian-Pacific Conference of Theoretical and Computational Chemistry, 2007年09月22日

プロスタグランジンD2/E2合成酵素反応機構のモデル系に関する理論的研究　　　　　　　　　　　　　　　
山口 直人,森 聖治,高妻 孝光,高田 俊和,坂田 文彦
分子科学討論会2007, 2007年09月18日, 分子科学会

(Z)-1,3-Pentadieneの熱的[1,5]-水素転移反応における水素同位体効果に関する理論的研究　　　　　　　　　　　　　　　
伊藤康昭,森 聖治,宇田川太郎,立川仁典,石元孝佳,長嶋雲兵
有機反応化学討論会, 2007年09月

シトクロムP450モデルによる、トロンボキサン生合成反応機構の理論的研究　　　　　　　　　　　　　　　
野内哲也,森 聖治
第５７回錯体化学討論会, 2006年11月

Theoretical studies on metal-mediated organic reactions in industry and biochemistry　　　　　　　　　　　　　　　
Seiji Mori
Japan-China Crossover Science Workshop (Bio-chemical-physics), 2006年10月15日, Ibaraki University, ［招待有り］

Quantum Mechanical Studies on the Role of Metals in Chemistry　　　　　　　　　　　　　　　
Seiji Mori
Japan-China Crossover Science Workshop (Bio-chemical-physics), 2005年02月26日, Ibaraki University, ［招待有り］

Resonance Between Computational Quantum Chemistry and Metal Chemistry　　　　　　　　　　　　　　　
Seiji Mori
19th Philippine Chemistry Congress, 2004年05月, Philippines Chemical Society, ［招待有り］

Theoretical Exploration of Copper-Mediated Reaction Mechanisms. Not Only Directed to Organic Syntheses but also to Environmental Chemistry　　　　　　　　　　　　　　　
Seiji Mori
International Symposium on Modern Organocopper Chemistry (plenary lecture), 2002年10月, University of Dortmund, ［招待有り］

有機銅化学の新展開　　　　　　　　　　　　　　　
森 聖治
第16回若い世代の特別講演会、日本化学会第80秋季年会, 2001年09月, 日本化学会, ［招待有り］

2020年04月 - 現在, 理論化学会

2005年, 分子科学会

日本コンピュータ化学会

有機合成化学協会

日本化学会

ESIPT型蛍光プローブを用いた水素結合力定量分析法の構築
基盤研究(C)
一般財団法人総合科学研究機構(総合科学研究センター(総合科学研究室)及び中性子科学センター(研究開発
2021年04月01日 - 2024年03月31日

量子化学・情報科学融合アプローチによる金属及び酵素触媒反応機構の解明
基盤研究(C)
茨城大学
2021年04月01日 - 2024年03月31日

分子活性化を基軸とする次世代型触媒反応の開発
特別推進研究
大阪大学
2017年04月25日 - 2022年03月31日

高難度高選択的物質変換反応の計算化学的・情報科学的解析
新学術領域研究（研究領域提案型）
2018年04月 - 2020年03月

位置選択的天然物生合成反応メカニズムにおける酵素の役割に関する理論的研究　　　　　　　　　　　　　　　
基盤研究(C)（一般）
2018年04月 - 2020年03月

中性子構造解析を中心とした多角的な手法によるビリン還元酵素の反応機構解明
基盤研究(C)
茨城大学
2016年04月01日 - 2019年03月31日

高難度高選択的物質変換反応の理論的設計　　　　　　　　　　　　　　　
新学術領域研究
2016年04月 - 2018年03月

プロスタグランジン合成酵素の機能と反応に関する計算科学的解明　　　　　　　　　　　　　　　
基盤研究(C)一般
2015年04月 - 2018年03月

量子シミュレーションに基づく不斉C–H活性化触媒の開発　　　　　　　　　　　　　　　
JST ACT-C（先導的物質変換領域）
2012年10月 - 2018年03月

多元素が関わる酵素反応機構の計算化学的解明　　　　　　　　　　　　　　　
特定領域研究（公募）
2015年04月 - 2017年03月

量子化学計算に基づく分子活性化の活性種および反応機構の解明　　　　　　　　　　　　　　　
特定領域研究（公募）
2013年04月 - 2015年03月

金属触媒による不活性結合開裂に関する理論的研究　　　　　　　　　　　　　　　
2011年04月 - 2013年03月

生理活性物質の生合成反応における酵素の役割
特定領域研究
茨城大学
2008年 - 2009年

プロスタノイド合成酵素による反応機構に関する理論的研究
基盤研究(C)
茨城大学
2007年 - 2009年

有機化学反応における電子状態および溶媒の制御に関する理論的研究
若手研究(B)
茨城大学
2002年 - 2003年

有機金属会合体の反応理論構築と反応設計
特別研究員奨励費
1998年 - 2000年

令和3年度茨城県中性子ビームライン等の量子線を活用した人材育成業務　　　　　　　　　　　　　　　
講師
茨城県, 茨城県中性子ビームライン等の量子線を活用した人材育成業務 基礎コース, 2022年01月28日 - 2022年01月28日

　　　「さくらサイエンスプログラム」友情と感激 茨城大学の活動報告　　　　　　　　　　　　　　　
文教ニュース社, 文教ニュース 第２７９３号, 2024年03月11日, 新聞・雑誌