Seiji MORIProfessor
■Researcher basic information
Organization
Research Areas
- Nanotechnology/Materials, Biochemistry, computational biochemistry
- Nanotechnology/Materials, Inorganic and coordination chemistry, theoretical inorganic chemistry
- Nanotechnology/Materials, Structural/physical organic chemistry, Theoretical Organic Chemistry
- Nanotechnology/Materials, Basic physical chemistry, Computational/theoretical chemistry
- Life sciences, Bioorganic chemistry, Theoretical Organic Chemistry
Research Keyword
Educational Background
Career
- Apr. 2012 - Present, Ibaraki University, College of Science, Professor
- Apr. 2022 - Mar. 2025, Graduate School of Science and Engineering, Institute of Quantum Beam Science, Director
- Apr. 2021 - Mar. 2022, 茨城大学理学部理学科長・大学院理工学研究科（理学野）化学領域長
- Apr. 2018 - Mar. 2021, Graduate School of Science and Engineering, Ibaraki University, Institute of Quantum Beam Science, Deputy Director
- Apr. 2015 - Mar. 2017, Ibaraki University, Assistant Vice President
- Apr. 2014 - Mar. 2015, Ibaraki University, College of Science, Chairperson of Chemistry Domain
- Apr. 2007 - Mar. 2012, Ibaraki University, College of Science, Associate professor
- Apr. 2005 - Mar. 2007, Ibaraki University, College of Science, Associate Professor
- Jun. 2006 - Jul. 2006, Emory University, Atlanta, GA, USA, Cherry L. Emerson center visiting fellow
- Jul. 2005 - Sep. 2005, Mindanao Institute of Technology-Iligan Institute of Technology, 理学部, Visiting professor
- Sep. 2005, JSPS-DAAD exchange fellow
- Apr. 2001 - Mar. 2005, Ibaraki University, Department of Environmental Science, College of Science, Associate Professor
- Oct. 2000 - Mar. 2001, Ibaraki University, Department of Environmental Science, College of Science, Assistant Professor
- 1998 - 2000, JSPS, Postdoctoral fellow
- 1998 - 2000, Emory University, USA, Postdoctoral fellow,
- 1996 - 1998, JSPS, Predoctoral fellow
Member History
External link
Message from Researchers
(Message from Researchers)
(研究経歴),Theoretical studies on the reaction mechanisms on biosyntheses of biological active compounds and organic/inorganic/organometallic reactions.
■Research activity information
Award
Paper
- 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, 30 Apr. 2025 - 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, Corresponding, 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, 04 Apr. 2025, [Reviewed] - 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, 02 Apr. 2025 - 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, 19 Feb. 2025, [Reviewed] - 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), 05 Feb. 2025, [Reviewed] - 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), 28 May 2024 - 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, Last, Wiley-VCH
Advanced Synthesis & Catalysis, 27 Nov. 2023, [Reviewed] - 〔Major achievements〕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, Last, 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, 03 Aug. 2023, [Reviewed], [Invited] - 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, 15 Jun. 2023, [Reviewed] - 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, 11 May 2023, [Reviewed] - 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*, Corresponding, Royal Society of Chemistry
Organic Chemistry Frontiers, 13 Feb. 2023, [Reviewed] - 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, 01 Dec. 2022, [Reviewed] - 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., 04 May 2022, [Reviewed] - 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, 03 May 2022, [Reviewed] - 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, 01 Apr. 2022, [Reviewed] - 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*, Corresponding, American Chemical Society
The Journal of Organic Chemistry, 24 Feb. 2022, [Reviewed] - 〔Major achievements〕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, Corresponding, ACS Publications
The Journal of Organic Chemistry, 28 Dec. 2021, [Reviewed] - 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, 05 Oct. 2021, [Reviewed] - 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 *, Last, Chemical Society of Japan
Bulletin of the Chemical Society of Japan, 11 Aug. 2021, [Reviewed] - 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, Corresponding, American Chemical Society
Organic Letters, 13 Jul. 2021, [Reviewed] - 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, 09 Jul. 2021, [Reviewed], [Invited] - 〔Major achievements〕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*, Last
ACS Catalysis, 04 Jun. 2021, [Reviewed] - 〔Major achievements〕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, Last, American Chemical Society
The Journal of Physical Chemistry B, 09 May 2021, [Reviewed], [Invited] - 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, 15 Sep. 2020 - 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; and Seiji Mori, Last, American Chemical Society
Journal of Natural Products, 08 Jul. 2020, [Reviewed] - 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, Corresponding, Wiley-VCH
Advanced Synthesis & Catalysis, 23 Jun. 2020, [Reviewed] - Importance of Non-Covalent Interactions in Synthetic Organic Chemistry and,Coordination Chemistry
森 聖治; 川島恭平, Lead, 理論化学会
フロンティア, Apr. 2020, [Reviewed], [Invited] - 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*, Last, American Chemical Society
ACS Catalysis, 21 Feb. 2020, [Reviewed] - 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, 08 Nov. 2019, [Reviewed] - 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 and Takayasu Hanashima, Royal Society of Chemistry
Photochemical & Photobiological Sciences, 03 Sep. 2019, [Reviewed] - The effect of pi-pi 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, Aug. 2019, [Reviewed] - pi-pi Stacking Interaction in an Oxidized Cu-II-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
CHEMISTRY-A EUROPEAN JOURNAL, Jun. 2019, [Reviewed] - 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; and Thanyada Rungrotmongkol, MDPI
Polymers, 16 Jan. 2019, [Reviewed] - 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, Last, Wiley
Journal of computational chemistry, 05 Jan. 2019, [Reviewed], [Invited] - Recent Advances for Reaction Mechanisms of Metal-Catalyzed Activations of Carbon-Containing Bonds with the Aid of Density Functional Calculations
Seiji Mori, Lead, 錯体化学会
錯体化学会誌, 30 Nov. 2018, [Reviewed], [Invited] - QM/MM Investigation for Protonation States in a Bilin Reductase PcyA‐Biliverdin IXɑ Complex
Eri Iijima M. Paul Gleeson Masaki Unno Seiji Mori, Last, Wiley
ChemPhysChem, 07 Aug. 2018, [Reviewed] - 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, Jan. 2018, [Reviewed], [Invited] - 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, [Reviewed] - 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, Oct. 2017, [Reviewed] - 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; Takayulu Hojo; Alumichi Ohtsuki; Keisuke Nakamura; Ayaka Yasutome; Hiroaki Takahashi; Toshiaki Shimasaki; Mamoru Tobisu; Naoto Chatani; Seiji Mori
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Aug. 2017, [Reviewed] - Asymmetric Synthesis of beta-Lactams through Copper-Catalyzed Alkyne-Nitrone Coupling with a Prolinol-Phosphine Chiral Ligand
Yurie Takayama; Takaoki Ishii; Hirohisa Ohmiya; Tomohiro Iwai; Martin C. Schwarzer; Seiji Mori; Tohru Taniguchi; Kenji Monde; Masaya Sawamura
CHEMISTRY-A EUROPEAN JOURNAL, Jun. 2017, [Reviewed] - 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, Jun. 2017, [Reviewed] - 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, Jan. 2016, [Reviewed] - 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, [Reviewed] - Copper-Catalyzed γ-Selective and Stereospecific Allylic Cross-Coupling with Secondary Alkylboranes
Yasuda, Y.; Nagao, K.; Shido, Y.; Mori, S.; Ohmiya, H.; Sawamura, M.
Chemistry - A European Journal, 2015, [Reviewed] - Copper-catalyzed enantioselective allylic cross-coupling with alkylboranes
Hojoh, K.; Shido, Y.; Nagao, K.; Mori, S.; Ohmiya, H.; Sawamura, M.
Tetrahedron, 2015, [Reviewed] - 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, Oct. 2014, [Reviewed] - 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, Jul. 2014 - 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, Jul. 2014, [Reviewed] - Redox Chemistry of Nickel(II) Complexes Supported by a Series of Noninnocent beta-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
INORGANIC CHEMISTRY, Jun. 2014 - 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, Jun. 2014, [Reviewed] - 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, Apr. 2014, [Reviewed] - 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, [Reviewed] - Cooperative Catalysis of Metal and O-H center dot center dot center dot O/sp(3)-C-H center dot center dot center dot O Two-Point Hydrogen Bonds in Alcoholic Solvents: Cu-Catalyzed Enantioselective Direct Alkynylation of Aldehydes with Terminal Alkynes
Takaoki Ishii; Ryo Watanabe; Toshimitsu Moriya; Hirohisa Ohmiya; Seiji Mori; Masaya Sawamura
CHEMISTRY-A EUROPEAN JOURNAL, Sep. 2013, [Reviewed] - 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, Jan. 2013, [Reviewed] - 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, Nov. 2012, [Reviewed] - 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, Oct. 2011, [Invited] - 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, Jan. 2011, [Reviewed] - 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, Mar. 2010, [Reviewed] - 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, Feb. 2010, [Reviewed] - 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)
Mori Seiji, The Biophysical Society of Japan General Incorporated Association
Seibutsu Butsuri, 2010 - 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, Oct. 2009, [Reviewed] - 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), Jul. 2009 - 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, Jun. 2009, [Reviewed] - 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, Feb. 2009, [Reviewed] - 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, [Reviewed] - 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, [Reviewed] - Torquoselective olefination of carbonyl compounds with ynolates: Highly efficient stereoselective synthesis of tetrasubstituted alkenes
Mitsuru Shindo; Seiji Mori
SYNLETT, Sep. 2008, [Reviewed] - Torquoselective olefination with ynolates
Mitsuru Shindo; Seiji Mori
JOURNAL OF SYNTHETIC ORGANIC CHEMISTRY JAPAN, Jan. 2008, [Reviewed] - Density Functional Studies on Thromboxane Biosynthesis: Mechanism and Role of the Heme-Thiolate System
Tetsuya K. Yanai; Seiji Mori
CHEMISTRY-AN ASIAN JOURNAL, 2008, [Reviewed] - 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, Jan. 2007, [Reviewed] - 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, Sep. 2006, [Reviewed] - 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, Dec. 2005, [Reviewed] - 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, [Reviewed] - Hyperconjugative Effects in the Stereoselective Ring Opening Reactions of Oxetenoxides
Seiji Mori; * Mitsuru Shindo
Org. Lett., Oct. 2004, [Reviewed] - Mechanism of addition of organocuprates to alkynyl carbonyl compounds. A mechanistic bridge between carbocupration and conjugate addition
S Mori; E Nakamura; K Morokuma
ORGANOMETALLICS, Mar. 2004, [Reviewed] - Quantum chemical studies on interactions between heavy metal species and biomolecules
Seiji Mori; * Takahiro Endoh; Takayoshi Kishi
RMZ-Materials and Geoenvironment, Part 3, 2004 - 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, Aug. 2003, [Reviewed] - 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, [Reviewed] - 高精度量子化学計算を用いた有機金属反応の解明
Seiji Mori; Eiichi Nakamura
J. Syn. Org. Chem. Jpn., 2003 - 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, Aug. 2002, [Reviewed] - 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, Jun. 2002, [Reviewed] - 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, [Reviewed] - 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, 02 Aug. 2000, [Reviewed] - 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, Aug. 2000, [Reviewed] - 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, Apr. 2000, [Reviewed] - Mechanism of SN2 Alkylation Reactions of Lithium Organocuprate Clusters with Alkyl Halides and Epoxides
Seiji Mori; E. Nakamura; * K. Morokuma*
J. Am. Chem. Soc., 2000, [Reviewed] - 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, [Reviewed] - Wherefore art thou copper? Structures and reaction mechanisms of organocuprate clusters in organic chemistry
E Nakamura; S Mori
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2000, [Reviewed] - Correlation of coordination geometry of copper atom to reactivities of organocuprate. Molecular orbital analysis of dimethylcuprate anion
S Mori; E Nakamura
TETRAHEDRON LETTERS, Jul. 1999, [Reviewed] - 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, Apr. 1999, [Reviewed], [Invited] - Density Functional Studies on Conjugate Addition of (Me2CuLi)2 to Cyclohexenone. Diastereoselectivity and Rate Limiting Step.
Seiji Mori; Eiichi Nakamura*
Chem. Eur. J., 1999, [Reviewed] - 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, Dec. 1998, [Reviewed] - Theoretical studies on S(N)2-reaction of MeBr with Me2CuLi center dot LiCl. Solvent and cluster effects on oxidative addition/reductive elimination pathway
E Nakamura; S Mori; K Morokuma
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Aug. 1998, [Reviewed] - S(N)2 substitution on sp(2) nitrogen of protonated oxime
S Mori; K Uchiyama; Y Hayashi; K Narasaka; E Nakamura
CHEMISTRY LETTERS, 1998, [Reviewed] - Endohedral homoconjugation in cyclopentadiene embedded in C60. Theoretical and electrochemical evidence
H Iikura; S Mori; M Sawamura; E Nakamura
JOURNAL OF ORGANIC CHEMISTRY, Nov. 1997, [Reviewed] - 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, 28 May 1997, [Reviewed] - Reaction pathway of the conjugate addition of lithium organocuprate clusters to acrolein
E Nakamura; S Mori; K Morokuma
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, May 1997, [Reviewed] - Unusually stable organomercury hydrides and radicals
E Nakamura; Y Yu; S Mori; S Yamago
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, Mar. 1997, [Reviewed] - 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 - 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, [Reviewed] - THEORETICAL-STUDIES ON CHELATION-CONTROLLED CARBONYL ADDITION - ME(2)MG ADDITION TO ALPHA-ALKOXY AND BETA-ALKOXY KETONES AND ALDEHYDES
S MORI; M NAKAMURA; E NAKAMURA; N KOGA; K MOROKUMA
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, May 1995, [Reviewed]
MISC
- 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 - 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, 01 Mar. 2000 - (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
Books and other publications
- 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), Joint translation, フランク・ジェンセン
森北出版, 31 Mar. 2023, [Reviewed]
9784627242333 - Advances in Medicine and Biology, Volume 15
T.K.Yanai; S.Mori, Joint work
Nova Science Publishers, Jul. 2011
9781611224672 - 量子物理化学入門
寺阪利孝; 森 聖治, Joint work
三共出版, 2007 - 有機化学概説
Paula Y; Bruice著; 大船; 香月,西郷; 富岡監訳, Joint translation
化学同人, Sep. 2006 - ブルース有機化学（上）第4版
Joint translation
化学同人, Oct. 2004 - 第５版 実験化学講座,「計算化学」
森 聖治; 中村栄一, Joint work
丸善, 2004 - Modern organocopper Chemistry(N. Krause, Ed.)
Seiji Mori; Eiichi Nakamura, Joint work
Wiley-VCH, 2002 - 有機量子化学（藤本博編，共著）
森 聖治; 中村栄一, Joint work
朝倉書店, 2001
Lectures, oral presentations, etc.
- Introduction to Quantum Beam Science and Computational Studies on Enzymatic and Homogeneous Catalysis
Seiji Mori
SMARTMAT 2024, 07 Nov. 2024, [Invited]
20241105, 20241108 - Introduction to Quantum Beam Science and Quantum Chemical Studies on homogeneous catalysis
Seiji Mori
International Symposium on Science and Education, 06 Jun. 2024, [Invited]
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, 16 May 2024
20240512, 20240517 - 〔Major achievements〕Importance of noncovalent interactions in homogeneous and enzymatic catalysis
Seiji Mori
PACCON2024, 27 Jan. 2024, [Invited]
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), 22 Mar. 2023
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, 17 Jan. 2023, 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, 26 Sep. 2022
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, 26 Sep. 2022
20220926, 20220928 - 〔Major achievements〕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, 05 Jul. 2022, [Invited]
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, 02 Nov. 2021, 日本コンピュータ化学会
20211102, 20211103 - 〔Major achievements〕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, 16 Sep. 2021, 錯体化学会, [Invited]
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, 22 Oct. 2020, 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), 07 Nov. 2019, [Invited]
20191106, 20191108 - 〔Major achievements〕Bridges between experiment and theory on catalytic functions
Seiji Mori
31st IUPAP Conference on Computational Physics (CCP2019), 01 Aug. 2019, [Invited]
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), 23 Jul. 2019, [Invited]
20190722, 20190726 - Bridges between Experiment and Theory on Catalytic functions
Seiji Mori
23rd International Annual Symposium on Computational Science and Engineering (ANSCSE23), 27 Jun. 2019, [Invited]
20190627, 20190629 - Bridges Between Experiment And Theory On Catalytic Functions
Seiji Mori
Computer Aided Drug Design (CADD) 2018 Seminar and Workshop, 28 Nov. 2018, [Invited]
20181128, 20181130 - Mechanistic Insights into MetalCatalyzed Highly Selective Organic Transformation Reactions
Seiji Mori
22nd International Annual Symposium on Computational Science and Engineering, 02 Aug. 2018, [Invited]
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), 15 Jul. 2018, [Invited]
20180725, 20180729 - Mechanistic Insights Into Transition Metal-Catalyzed Molecular Activation Reactions
Seiji Mori
8th Asia-Pacific Conference of Theoretical and Computational Chemistry (APCTCC-8), 15 Dec. 2017, [Invited]
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), 28 Aug. 2017
20170827, 20170901 - Computational Studies of Biosyntheses of Prostaglandins and Related Signaling Compounds
Seiji Mori
6th Georgian Bay International Conference on Bioinorganic Chemistry (CANBIC-6), 23 May 2017, [Invited]
20170523, 20170527 - Mechanistic Insights into Molecular Activation Reactions Based on Computational Chemistry
Seiji Mori
10th International Conference on Computational Physics (ICCP10), 16 Jan. 2017, [Invited]
20170116, 20170120 - Theoretical Insights into Molecular Activation Reactions
Seiji Mori
Thai-Japan Symposium in Chemistry, 15 Nov. 2016, [Invited]
20161115, 20161115 - Theoretical Study on Ni(0)-Catalyzed Cross-Coupling of Methoxyarenes with Arylboronic Esters via C-O Bond Activation
20.Seiji Mori; Ryosuke Konno; Martin C. Schwarzer; H. Takahashi; Mamoru Tobisu; Naoto Chatani
10th congress on Electronic Structure: Principles and Applications (ESPA2016), 28 Jun. 2016 - 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), 02 Jun. 2016, [Invited] - Theoretical Studies of Molecular Activation Reactions-Mechanistic Insights and Rational Design of Catalysis-
Seiji Mori
APCTCC7, 25 Jan. 2016, APCTCC7, [Invited] - 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, 24 Nov. 2015, [Invited] - 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, 24 Nov. 2015, [Invited] - Computational Studies on Mechanistic Insights Into Prostaglandin Synthases
Seiji Mori
ICoBio 2015, 05 Aug. 2015, [Invited] - Computational studies on complex mechanisms of organic and biological reactions
Theoretical Chemistry on Functional Biomolecular Systems, 10 Feb. 2015, [Invited] - 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), 14 Dec. 2014, [Invited] - Computational Studies of Mechanistic Insight into Synthases of Prostaglandins and Related Signaling Compounds
Seiji Mori
Vietnam Malaysian International Chemical Congress, 07 Nov. 2014, [Invited] - Theoretical studies on biosynthesis of prostaglandin G2 by cyclooxygenase-2
Seiji Mori
ANSCSE 18, 17 Mar. 2014, [Invited] - Computational studies on C-C and C-H bond activation reactions in organic and biological chemistry
Seiji Mori
2013 WFTCPC, 09 Dec. 2013, [Invited] - 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, 10 Jul. 2013, [Invited] - Computational studies on mechanistic insight into prostaglandin synthases
Seiji Mori
Pure and Applied Chemistry International Conference 2013, 23 Jan. 2013, Chemical Society of Thailand, [Invited] - Computational Studies of Mechanistic Insight into Prostaglandin Synthases
Seiji Mori; Takayuki Houjou; Ryo Watanabe; Tetsuya K. Yanai
TACC 2012, 02 Sep. 2012 - 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, 21 Sep. 2011 - Computational Studies on Complex Organic/Biological Reaction Mechanisms
Seiji Mori
14th Asian Chemical Congress, 05 Sep. 2011, [Invited] - AMBER force field parameterization of model iron-porphyrin complexes with density functional methods
Takayoshi Yoshimura; Seiji Mori
14th Asian Chemical Congress, 05 Sep. 2011 - Theoretical analysis for structures and reaction mechanisms of atypical cytochrome P450
Seiji Mori
第４８回日本生物物理学会, 21 Sep. 2010, 日本生物物理学会, [Invited] - 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, 15 Sep. 2010 - 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, 31 Aug. 2010, 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), 06 Jul. 2010, 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), 27 Jul. 2009 - 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, 20 Jul. 2009, [Invited] - Unusual Reactions Catalyzed by Cytochrome P450: Density Functional Studies on Prostaglandin H2 Isomerizations
Seiji Mori; Tetsuya K. Yanai
16th International Conference on Cytochrome P450, 22 Jun. 2009 - Unusual Reactions Catalyzed by Cytochrome P450: Density Functional Studies on Prostaglandin H2 Isomerizations
Tetsuya K. Yanai; Seiji Mori
4th Asian Biological Inorganic Chemistry Conference, 10 Nov. 2008 - 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, 24 Sep. 2008 - 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, 24 Sep. 2008 - 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, 20 Sep. 2008 - 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, 04 Aug. 2008 - 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, 04 Aug. 2008 - 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, 30 May 2008 - 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, Mar. 2008 - Theoretical Studies on Model Reaction Mechanisms of Prostanoid Synthases
Seiji Mori; Tetsuya Yanai; Naoto Yamaguchi; Takamitsu Kohzuma; Toshikazu Takada; and Fumihiko Sakata
Third Asian-Pacific Conference of Theoretical and Computational Chemistry, 22 Sep. 2007 - 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, 18 Sep. 2007, 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, Sep. 2007 - 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, Nov. 2006 - Theoretical studies on metal-mediated organic reactions in industry and biochemistry
Seiji Mori
Japan-China Crossover Science Workshop (Bio-chemical-physics), 15 Oct. 2006, Ibaraki University, [Invited] - Quantum Mechanical Studies on the Role of Metals in Chemistry
Seiji Mori
Japan-China Crossover Science Workshop (Bio-chemical-physics), 26 Feb. 2005, Ibaraki University, [Invited] - Resonance Between Computational Quantum Chemistry and Metal Chemistry
Seiji Mori
19th Philippine Chemistry Congress, May 2004, Philippines Chemical Society, [Invited] - 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), Oct. 2002, University of Dortmund, [Invited] - 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, Sep. 2001, 日本化学会, [Invited]
Affiliated academic society
Research Themes
- Fluorescence detection of hydrogen-bonding strength using ESIPT-type fluorescent probe
Grant-in-Aid for Scientific Research (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
01 Apr. 2021 - 31 Mar. 2024 - Mechanistic Insights into metal- and enzyme-catalyzed reactions using hybrid quantum chemical and information science approaches
Grant-in-Aid for Scientific Research (C)
Ibaraki University
01 Apr. 2021 - 31 Mar. 2024 - Development of Next-Generation Transformation Involving Molecular Activation as a Key Step
Grant-in-Aid for Specially Promoted Research
Osaka University
25 Apr. 2017 - 31 Mar. 2022 - 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）
Apr. 2018 - Mar. 2020 - Elucidation of Reaction Mechanism of Bili Reductase by Multiple Methods Mainly Neutron Structure Analysis
Grant-in-Aid for Scientific Research (C)
Ibaraki University
01 Apr. 2016 - 31 Mar. 2019 - 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
Apr. 2016 - Mar. 2018 - 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
Grant-in-Aid for Scientific Research(C)
Apr. 2015 - Mar. 2018 - 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）
Oct. 2012 - Mar. 2018 - 多元素が関わる酵素反応機構の計算化学的解明
Grant-in-Aid for Scientific Research on Priority Areas
Apr. 2015 - Mar. 2017 - 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
Grant-in-Aid for Scientific Research on Priority Areas
Apr. 2013 - Mar. 2015 - 金属触媒による不活性結合開裂に関する理論的研究
Apr. 2011 - Mar. 2013 - Theoretical Studies on Mechanisms of Prostanoid Biosyntheses
Grant-in-Aid for Scientific Research (C)
Ibaraki University
2007 - 2009
Social Contribution Activities
Academic Contribution Activities
- 〔Major achievements〕7th International Symposium of Quantum Beam Science at Ibaraki University
Planning etc
茨城大学・量子線科学専攻長・森 聖治（組織実行委員長）, 茨城大学水戸キャンパス・ハイブリッド, 02 Dec. 2022 - 04 Dec. 2022 - The Fourth Asian Workshop of Experiment and Theory in Quantum Beam Molecular Sciences
Planning etc
茨城大学大学院理工学研究科・量子線科学専攻・森 聖治, Online, 28 Oct. 2021 - 12 Nov. 2021
