Kazunari Yoshizawa &ndash; Research Output

2015

11 Citations (Scopus)

A QSAR study on the inhibition mechanism of matrix metalloproteinase-12 by arylsulfone analogs based on molecular orbital calculations

Hitaoka, S., Chuman, H. & Yoshizawa, K., Jan 21 2015, In : Organic and Biomolecular Chemistry. 13, 3, p. 793-806 14 p.

Research output: Contribution to journal › Article

Matrix Metalloproteinase 12

Hydroxamic Acids

Orbital calculations

Quantitative Structure-Activity Relationship

Molecular orbitals

14 Citations (Scopus)

Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex

Su, S. Q., Kamachi, T., Yao, Z. S., Huang, Y. G., Shiota, Y., Yoshizawa, K., Azuma, N., Miyazaki, Y., Nakano, M., Maruta, G., Takeda, S., Kang, S., Kanegawa, S. & Sato, O., Nov 4 2015, In : Nature communications. 6, 8810.

Research output: Contribution to journal › Article

assembling

Cobalt

rotors

cobalt

Rotors

109 Citations (Scopus)

Catalytic reduction of dinitrogen to ammonia by use of molybdenum-nitride complexes bearing a tridentate triphosphine as catalysts

Arashiba, K., Kinoshita, E., Kuriyama, S., Eizawa, A., Nakajima, K., Tanaka, H., Yoshizawa, K. & Nishibayashi, Y., May 6 2015, In : Journal of the American Chemical Society. 137, 17, p. 5666-5669 4 p.

Research output: Contribution to journal › Article

Bearings (structural)

Molybdenum

Ammonia

Nitrides

Catalysts

5 Citations (Scopus)

Cis -1,2-Aminohydroxylation of Alkenes Involving a Catalytic Cycle of Osmium(III) and Osmium(V) Centers: Os^V(O)(NHTs) Active Oxidant with a Macrocyclic Tetradentate Ligand

Sugimoto, H., Mikami, A., Kai, K., Sajith, P. K., Shiota, Y., Yoshizawa, K., Asano, K., Suzuki, T. & Itoh, S., Jul 20 2015, In : Inorganic Chemistry. 54, 14, p. 7073-7082 10 p.

Research output: Contribution to journal › Article

Osmium

osmium

Alkenes

Oxidants

alkenes

44 Citations (Scopus)

Cobalt-catalyzed transformation of molecular dinitrogen into silylamine under ambient reaction conditions

Imayoshi, R., Tanaka, H., Matsuo, Y., Yuki, M., Nakajima, K., Yoshizawa, K. & Nishibayashi, Y., Jun 1 2015, In : Chemistry - A European Journal. 21, 24, p. 8905-8909 5 p.

Research output: Contribution to journal › Article

Cobalt

Discrete Fourier transforms

Bearings (structural)

Reducing Agents

Catalyst activity

17 Citations (Scopus)

Computational exploration of the mechanism of the hydrogenation step of the anthraquinone process for hydrogen peroxide production

Kamachi, T., Ogata, T., Mori, E., Iura, K., Okuda, N., Nagata, M. & Yoshizawa, K., Apr 23 2015, In : Journal of Physical Chemistry C. 119, 16, p. 8748-8754 7 p.

Research output: Contribution to journal › Article

Anthraquinones

anthraquinones

hydrogen peroxide

Hydrogen peroxide

Hydrogen Peroxide

4 Citations (Scopus)

Controlling the redox properties of a pyrroloquinolinequinone (PQQ) derivative in a ruthenium(ii) coordination sphere

Mitome, H., Ishizuka, T., Shiota, Y., Yoshizawa, K. & Kojima, T., Feb 21 2015, In : Dalton Transactions. 44, 7, p. 3151-3158 8 p.

Research output: Contribution to journal › Article

Ruthenium

Ligands

Derivatives

Oxidation-Reduction

X ray crystallography

15 Citations (Scopus)

Formation and characterization of a reactive chromium(V)-oxo complex: Mechanistic insight into hydrogen-atom transfer reactions

Kotani, H., Kaida, S., Ishizuka, T., Sakaguchi, M., Ogura, T., Shiota, Y., Yoshizawa, K. & Kojima, T., Feb 1 2015, In : Chemical Science. 6, 2, p. 945-955 11 p.

Research output: Contribution to journal › Article

Chromium

Hydrogen

Atoms

Electrons

Oxidation

11 Citations (Scopus)

Formation and nitrile hydrogenation performance of Ru nanoparticles on a K-doped Al₂O₃ surface

Muratsugu, S., Kityakarn, S., Wang, F., Ishiguro, N., Kamachi, T., Yoshizawa, K., Sekizawa, O., Uruga, T. & Tada, M., Aug 14 2015, In : Physical Chemistry Chemical Physics. 17, 38, p. 24791-24802 12 p.

Research output: Contribution to journal › Article

Nitriles

nitriles

Hydrogenation

hydrogenation

Nanoparticles

20 Citations (Scopus)

Mechanistic aspects in the direct synthesis of hydrogen peroxide on PdAu catalyst from first principles

Li, J. & Yoshizawa, K., Jun 15 2015, In : Catalysis Today. 248, p. 142-148 7 p.

Research output: Contribution to journal › Review article

Hydrogen peroxide

Hydrogen Peroxide

Catalysts

Catalyst selectivity

Catalyst activity

Mechanistic study of methanol oxidation by Ru^IV-oxo complexes

Shiota, Y., Takahashi, S., Ohzu, S., Ishizuka, T., Kojima, T. & Yoshizawa, K., Jan 1 2015, In : Journal of Porphyrins and Phthalocyanines. 19, 1-3, p. 417-426 10 p.

Research output: Contribution to journal › Article

Methanol

Oxidation

Formaldehyde

Density functional theory

Chemical activation

16 Citations (Scopus)

Molecular design of electron transport with orbital rule: Toward conductance-decay free molecular junctions

Tada, T. & Yoshizawa, K., 2015, In : Physical Chemistry Chemical Physics. 17, 48, p. 32099-32110 12 p.

Research output: Contribution to journal › Review article

Benzene

orbitals

decay

electrons

Electron Transport

52 Citations (Scopus)

Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum-dinitrogen complexes: Unique behavior of ferrocene moiety as redox active site

Kuriyama, S., Arashiba, K., Nakajima, K., Tanaka, H., Yoshizawa, K. & Nishibayashi, Y., Jul 1 2015, In : Chemical Science. 6, 7, p. 3940-3951 12 p.

Research output: Contribution to journal › Article

Nitrogen fixation

Ammonia

Catalysts

Molybdenum

Atoms

10 Citations (Scopus)

Proton-Assisted Mechanism of NO Reduction on a Dinuclear Ruthenium Complex

Suzuki, T., Tanaka, H., Shiota, Y., Sajith, P. K., Arikawa, Y. & Yoshizawa, K., Aug 3 2015, In : Inorganic Chemistry. 54, 15, p. 7181-7191 11 p.

Research output: Contribution to journal › Article

Ruthenium

ruthenium

Protons

retraining

Protonation

9 Citations (Scopus)

Redox-Noninnocent Behavior of Tris(2-pyridylmethyl)amine Bound to a Lewis Acidic Rh(III) Ion Induced by C-H Deprotonation

Kotani, H., Sugiyama, T., Ishizuka, T., Shiota, Y., Yoshizawa, K. & Kojima, T., Sep 9 2015, In : Journal of the American Chemical Society. 137, 35, p. 11222-11225 4 p.

Research output: Contribution to journal › Article

Deprotonation

Oxidation-Reduction

Amines

Ligands

Ions

17 Citations (Scopus)

Selective carbon dioxide adsorption of ε-Keggin-type zincomolybdate-based purely inorganic 3D frameworks

Zhang, Z., Sadakane, M., Noro, S. I., Murayama, T., Kamachi, T., Yoshizawa, K. & Ueda, W., Jan 14 2015, In : Journal of Materials Chemistry A. 3, 2, p. 746-755 10 p.

Research output: Contribution to journal › Article

Carbon Dioxide

Carbon dioxide

Adsorption

Molecules

Cations

51 Citations (Scopus)

Synergic Catalysis of PdCu Alloy Nanoparticles within a Macroreticular Basic Resin for Hydrogen Production from Formic Acid

Mori, K., Tanaka, H., Dojo, M., Yoshizawa, K. & Yamashita, H., Aug 1 2015, In : Chemistry - A European Journal. 21, 34, p. 12085-12092 8 p.

Research output: Contribution to journal › Article

formic acid

Formic acid

Carbon Monoxide

Hydrogen production

Catalysis

2014

4 Citations (Scopus)

Binding of Scandium Ions to Metalloporphyrin-Flavin Complexes for Long-Lived Charge Separation

Kojima, T., Kobayashi, R., Ishizuka, T., Yamakawa, S., Kotani, H., Nakanishi, T., Ohkubo, K., Shiota, Y., Yoshizawa, K. & Fukuzumi, S., Nov 1 2014, In : Chemistry - A European Journal. 20, 47, p. 15518-15532 15 p.

Research output: Contribution to journal › Article

Scandium

Metalloporphyrins

Ions

Electrons

Porphyrins

89 Citations (Scopus)

Catalytic formation of ammonia from molecular dinitrogen by use of dinitrogen-bridged dimolybdenum-dinitrogen complexes bearing pnp-pincer ligands: Remarkable effect of substituent at pnp-pincer ligand

Kuriyama, S., Arashiba, K., Nakajima, K., Tanaka, H., Kamaru, N., Yoshizawa, K. & Nishibayashi, Y., Jul 9 2014, In : Journal of the American Chemical Society. 136, 27, p. 9719-9731 13 p.

Research output: Contribution to journal › Article

Bearings (structural)

Ammonia

Ligands

Molybdenum

Catalysts

52 Citations (Scopus)

Cleavage and Formation of Molecular Dinitrogen in a Single System Assisted by Molybdenum Complexes Bearing Ferrocenyldiphosphine

Miyazaki, T., Tanaka, H., Tanabe, Y., Yuki, M., Nakajima, K., Yoshizawa, K. & Nishibayashi, Y., Oct 20 2014, In : Angewandte Chemie - International Edition. 53, 43, p. 11488-11492 5 p.

Research output: Contribution to journal › Article

Bearings (structural)

Molybdenum

Nitrides

Ligands

Irradiation

3 Citations (Scopus)

Computational mutation design of diol dehydratase: Catalytic ability toward glycerol beyond the wild-type enzyme

Doitomi, K., Tanaka, H., Kamachi, T., Toraya, T. & Yoshizawa, K., Jan 1 2014, In : Bulletin of the Chemical Society of Japan. 87, 9, p. 950-959 10 p.

Research output: Contribution to journal › Article

Propanediol Dehydratase

Glycerol

Enzymes

Dehydration

Conformations

16 Citations (Scopus)

Enantioselective Alkylation by Binaphthyl Chiral phase-transfer catalysts: A DFT-based conformational analysis

Kamachi, T. & Yoshizawa, K., Mar 17 2014, In : Organic Letters. 16, 2, p. 472-475 4 p.

Research output: Contribution to journal › Article

alkylation

Alkylation

Density functional theory

density functional theory

catalysts

15 Citations (Scopus)

Hydrogen atom abstraction reactions independent of C-H bond dissociation energies of organic substrates in water: Significance of oxidant-substrate adduct formation

Ishizuka, T., Ohzu, S., Kotani, H., Shiota, Y., Yoshizawa, K. & Kojima, T., Apr 1 2014, In : Chemical Science. 5, 4, p. 1429-1436 8 p.

Research output: Contribution to journal › Article

Oxidants

Hydrogen

Atoms

Water

Methanol

19 Citations (Scopus)

Mechanism of N-h bond cleavage of aniline by a dearomatized PNP-pincer type phosphaalkene complex of Iridium(I)

Chang, Y. H., Nakajima, Y., Tanaka, H., Yoshizawa, K. & Ozawa, F., Feb 10 2014, In : Organometallics. 33, 3, p. 715-721 7 p.

Research output: Contribution to journal › Article

Iridium

iridium

aniline

cleavage

Ammonia

37 Citations (Scopus)

Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex

Yao, Z. S., Mito, M., Kamachi, T., Shiota, Y., Yoshizawa, K., Azuma, N., Miyazaki, Y., Takahashi, K., Zhang, K., Nakanishi, T., Kang, S., Kanegawa, S. & Sato, O., Jan 1 2014, In : Nature Chemistry. 6, 12, p. 1079-1083 5 p.

Research output: Contribution to journal › Article

Oxalates

Single crystals

Crystalline materials

Crystals

Molecules

27 Citations (Scopus)

Photoswitching of conductance through salicylidene methylamine

Staykov, A. T., Watanabe, M., Ishihara, T. & Yoshizawa, K., Jan 1 2014, In : Journal of Physical Chemistry C. 118, 47, p. 27539-27548 10 p.

Research output: Contribution to journal › Article

Photodiodes

Isomers

Benzene

Molecular electronics

Proton transfer

17 Citations (Scopus)

Role of acidic proton in the decomposition of NO over dimeric Cu(I) active sites in Cu-ZSM-5 catalyst: A QM/MM study

Sajith, P. K., Shiota, Y. & Yoshizawa, K., Jun 6 2014, In : ACS Catalysis. 4, 6, p. 2075-2085 11 p.

Research output: Contribution to journal › Article

Protons

Decomposition

Catalysts

Chemical activation

Zeolites

8 Citations (Scopus)

Roles of carboxylate donors in O-O bond scission of peroxodi-iron(iii) to high-spin oxodi-iron(iv) with a new carboxylate-containing dinucleating ligand

Kodera, M., Tsuji, T., Yasunaga, T., Kawahara, Y., Hirano, T., Hitomi, Y., Nomura, T., Ogura, T., Kobayashi, Y., Sajith, P. K., Shiota, Y. & Yoshizawa, K., Jan 1 2014, In : Chemical Science. 5, 6, p. 2282-2292 11 p.

Research output: Contribution to journal › Article

Iron

Ligands

Oxygenases

Methane

Chemical activation

Tetranuclear ruthenium(II) complex with a dinucleating ligand forming multi-mixed-valence states

Ohzu, S., Ishizuka, T., Kotani, H., Shiota, Y., Yoshizawa, K. & Kojima, T., Dec 15 2014, In : Inorganic Chemistry. 53, 24, p. 12677-12679 3 p.

Research output: Contribution to journal › Article

Ruthenium

ruthenium

Ligands

valence

Oxidation

76 Citations (Scopus)

Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia

Tanaka, H., Arashiba, K., Kuriyama, S., Sasada, A., Nakajima, K., Yoshizawa, K. & Nishibayashi, Y., Apr 28 2014, In : Nature communications. 5, 3737.

Research output: Contribution to journal › Article

Bearings (structural)

Ammonia

ammonia

Molybdenum

Ligands

2013

2 Citations (Scopus)

A bipodal dicyano anchor unit for single-molecule spintronic devices

Tsuji, Y., Semoto, T. & Yoshizawa, K., Aug 5 2013, In : ChemPhysChem. 14, 11, p. 2470-2475 6 p.

Research output: Contribution to journal › Article

Magnetoelectronics

Anchors

Molecules

electrodes

molecular energy levels

98 Citations (Scopus)

A light-induced spin crossover actuated single-chain magnet

Liu, T., Zheng, H., Kang, S., Shiota, Y., Hayami, S., Mito, M., Sato, O., Yoshizawa, K., Kanegawa, S. & Duan, C., Jan 1 2013, In : Nature communications. 4, 2826.

Research output: Contribution to journal › Article

Magnets

crossovers

magnets

Iron

Light

4 Citations (Scopus)

Asymmetric diarylethene as a dual-functional device combining switch and diode

Tsuji, Y., Koga, J. & Yoshizawa, K., Aug 29 2013, In : Bulletin of the Chemical Society of Japan. 86, 8, p. 947-954 8 p.

Research output: Contribution to journal › Article

Diodes

Switches

Silicon

Electron transport properties

Molecular electronics

6 Citations (Scopus)

Complete photochromic structural changes in ruthenium(II)-diimine complexes, based on control of the excited states by metalation

Sawaki, T., Ishizuka, T., Kawano, M., Shiota, Y., Yoshizawa, K. & Kojima, T., Jul 1 2013, In : Chemistry - A European Journal. 19, 27, p. 8978-8990 13 p.

Research output: Contribution to journal › Article

Ruthenium

Excited states

Ligands

Metals

Derivatives

168 Citations (Scopus)

Computational prediction for singlet- and triplet-transition energies of charge-transfer compounds

Huang, S., Zhang, Q., Shiota, Y., Nakagawa, T., Kuwabara, K., Yoshizawa, K. & Adachi, C., Sep 10 2013, In : Journal of Chemical Theory and Computation. 9, 9, p. 3872-3877 6 p.

Research output: Contribution to journal › Article

Excited states

Charge transfer

charge transfer

predictions

atomic energy levels

20 Citations (Scopus)

DFT study of the mechanism for methane hydroxylation by soluble methane monooxygenase (sMMO): Effects of oxidation state, spin state, and coordination number

Huang, S. P., Shiota, Y. & Yoshizawa, K., Jan 28 2013, In : Dalton Transactions. 42, 4, p. 1011-1023 13 p.

Research output: Contribution to journal › Article

methane monooxygenase

Hydroxylation

Methane

Density functional theory

Oxidation

63 Citations (Scopus)

Facile N-H bond cleavage of ammonia by an iridium complex bearing a noninnocent PNP-pincer type phosphaalkene ligand

Chang, Y. H., Nakajima, Y., Tanaka, H., Yoshizawa, K. & Ozawa, F., Aug 14 2013, In : Journal of the American Chemical Society. 135, 32, p. 11791-11794 4 p.

Research output: Contribution to journal › Article

Bearings (structural)

Iridium

Ammonia

Ligands

Discrete Fourier transforms

3 Citations (Scopus)

Heteronuclear Ru^IIAg^I complexes having a pyrroloquinolinequinone derivative as a bridging ligand

Mitome, H., Ishizuka, T., Shiota, Y., Yoshizawa, K. & Kojima, T., Mar 11 2013, In : Inorganic Chemistry. 52, 5, p. 2274-2276 3 p.

Research output: Contribution to journal › Article

Ligands

Derivatives

ligands

Acetone

acetone

26 Citations (Scopus)

Multiply-fused porphyrins - Effects of extended π-conjugation on the optical and electrochemical properties

Ishizuka, T., Saegusa, Y., Shiota, Y., Ohtake, K., Yoshizawa, K. & Kojima, T., Jul 7 2013, In : Chemical Communications. 49, 53, p. 5939-5941 3 p.

Research output: Contribution to journal › Article

Porphyrins

Electrochemical properties

Optical properties

Fusion reactions

Physical properties

41 Citations (Scopus)

Multi-step spin crossover accompanied by symmetry breaking in an Fe ^III complex: Crystallographic evidence and DFT studies

Li, Z. Y., Dai, J. W., Shiota, Y., Yoshizawa, K., Kanegawa, S. & Sato, O., Sep 23 2013, In : Chemistry - A European Journal. 19, 39, p. 12948-12952 5 p.

Research output: Contribution to journal › Article

Magnetic structure

Discrete Fourier transforms

Magnetic properties

Single crystals

X ray diffraction

9 Citations (Scopus)

Oxidation of silanes to silanols on Pd nanoparticles: H₂ desorption accelerated by surface oxygen atom

Kamachi, T., Shimizu, K. I., Yoshihiro, D., Igawa, K., Tomooka, K. & Yoshizawa, K., Nov 7 2013, In : Journal of Physical Chemistry C. 117, 44, p. 22967-22973 7 p.

Research output: Contribution to journal › Article

Silanes

silanes

oxygen atoms

Desorption

desorption

8 Citations (Scopus)

Quantum chemical studies on dioxygen activation and methane hydroxylation by diiron and dicopper species as well as related metaloxo species

Yoshizawa, K., Nov 4 2013, In : Bulletin of the Chemical Society of Japan. 86, 10, p. 1083-1116 34 p.

Research output: Contribution to journal › Article

Hydroxylation

Methane

Chemical activation

Oxygen

Metals

21 Citations (Scopus)

Role of edge oxygen atoms on the adhesive interaction between carbon fiber and epoxy resin

Semoto, T., Tsuji, Y., Tanaka, H. & Yoshizawa, K., Nov 27 2013, In : Journal of Physical Chemistry C. 117, 47, p. 24830-24835 6 p.

Research output: Contribution to journal › Article

Epoxy Resins

epoxy resins

carbon fibers

Epoxy resins

resins

39 Citations (Scopus)

Role of tyrosine residue in methane activation at the dicopper site of particulate methane monooxygenase: A density functional theory study

Shiota, Y., Juhász, G. & Yoshizawa, K., Jul 15 2013, In : Inorganic Chemistry. 52, 14, p. 7907-7917 11 p.

Research output: Contribution to journal › Article

methane monooxygenase

tyrosine

Methane

particulates

Density functional theory

Special issue: Seventh congress of the international society for theoretical chemical physics

Nakai, H., Yoshizawa, K., Ando, K., Nakajima, T. & Brändas, E. J., Feb 5 2013, In : International Journal of Quantum Chemistry. 113, 3, p. 171-172 2 p.

Research output: Contribution to journal › Editorial

14 Citations (Scopus)

Thiophene-fused bisdehydro[12]annulene that undergoes transannular alkyne cycloaddition by either light or heat

Fukazawa, A., Oshima, H., Shiota, Y., Takahashi, S., Yoshizawa, K. & Yamaguchi, S., Feb 6 2013, In : Journal of the American Chemical Society. 135, 5, p. 1731-1734 4 p.

Research output: Contribution to journal › Article

Thiophenes

Alkynes

Cycloaddition

Cycloaddition Reaction

Thiophene

2012

(6)金属と樹脂界面の接着に関する分子論

Translated title of the contribution: Molecular Theory of the Adhesion between Metal and Resin瀬本貴之, 辻雄太 & 吉澤一成, Apr 1 2012, In : 日本接着学会誌 = Journal of the Adhesion Society of Japan : adhesion. 48, 4, p. 144-149 6 p.

Research output: Contribution to journal › Article

Analysis of Enzymatic Reactions By Quantum Chemical Calculations

Yoshizawa, K., Jan 1 2012, In : Yakugaku Zasshi. 132, 8, p. 863-871 9 p.

Research output: Contribution to journal › Article

Propanediol Dehydratase

Quantum Theory

Catalytic Domain

methane monooxygenase

Amino Acids

3 Citations (Scopus)

A new understanding on how heme metabolism occurs in heme oxygenase: Water-assisted oxo mechanism

Kamachi, T., Nishimi, T. & Yoshizawa, K., Oct 14 2012, In : Dalton Transactions. 41, 38, p. 11642-11650 9 p.

Research output: Contribution to journal › Article

Heme Oxygenase (Decyclizing)

Heme

Metabolism

Water

Molecules

59 Citations (Scopus)

An orbital rule for electron transport in molecules

Yoshizawa, K., Sep 18 2012, In : Accounts of Chemical Research. 45, 9, p. 1612-1621 10 p.

Research output: Contribution to journal › Article

Molecules

Metals

Electron transport properties

Derivatives

Green's function