Hajime Hirao : rechercher sur Z-Library

Le plus grand référentiel d'articles scientifiques au monde. 70,000,000+ d'articles gratuitement.

Don't use scam websites

Livres
Articles (239)
Les plus populaires
Liste
- Liste
- Tableau

1

The add-on effectiveness and safety of iguratimod in patients with rheumatoid arthritis who showed an inadequate response to tocilizumab

Ebina, Kosuke, Miyama, Akira, Tsuboi, Hideki, Kaneshiro, Shoichi, Nishikawa, Masataka, Owaki, Hajime, Tsuji, Shigeyoshi, Hirao, Makoto, Etani, Yuki, Goshima, Atsushi, Hashimoto, Jun, Yoshikawa, Hideki

Journal:

Modern Rheumatology

Année:

2018

Langue:

english

Fichier:

PDF, 954 KB

english, 2018

2

The ONIOM method: its foundation and applications to metalloenzymes and photobiology

Lung Wa Chung, Hajime Hirao, Xin Li, Keiji Morokuma

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Année:

2012

Langue:

english

Fichier:

PDF, 1.14 MB

english, 2012

3

Palladium-Catalyzed Asymmetric Reductive Heck Reaction of Aryl Halides

Yue, Guizhou, Lei, Kaining, Hirao, Hajime, Zhou, Jianrong Steve

Journal:

Angewandte Chemie International Edition

Année:

2015

Langue:

english

Fichier:

PDF, 648 KB

english, 2015

4

Rationale for the Acidity of Meldrum's Acid. Consistent Relation of C−H Acidities to the Properties of Localized Reactive Orbital

Nakamura, Satoshi, Hirao, Hajime, Ohwada, Tomohiko

Journal:

Journal of Organic Chemistry

Année:

2004

Langue:

english

Fichier:

PDF, 295 KB

english, 2004

5

New Features in the Catalytic Cycle of Cytochrome P450 during the Formation of Compound I from Compound 0

Kumar, Devesh, Hirao, Hajime, de Visser, Sam P., Zheng, Jingjing, Wang, Dongqi, Thiel, Walter, Shaik, Sason

Journal:

Journal of Physical Chemistry B

Année:

2005

Langue:

english

Fichier:

PDF, 184 KB

english, 2005

6

Theoretical Study of Reactivities in Electrophilic Aromatic Substitution Reactions: Reactive Hybrid Orbital Analysis

Hirao, Hajime, Ohwada, Tomohiko

Journal:

Journal of Physical Chemistry A

Année:

2003

Langue:

english

Fichier:

PDF, 152 KB

english, 2003

7

Theoretical Analysis of Lewis Basicity Based on Local Electron-Donating Ability. Origin of Basic Strength of Cyclic Amines

Ohwada, Tomohiko, Hirao, Hajime, Ogawa, Atsushi

Journal:

Journal of Organic Chemistry

Année:

2004

Langue:

english

Fichier:

PDF, 294 KB

english, 2004

8

Measuring the Relative Hydrogen-Bonding Strengths of Alcohols in Aprotic Organic Solvents

Tessensohn, Malcolm E., Lee, Melvyn, Hirao, Hajime, Webster, Richard D.

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 536 KB

english, 2015

9

Palladium-Catalyzed Asymmetric Reductive Heck Reaction of Aryl Halides

Yue, Guizhou, Lei, Kaining, Hirao, Hajime, Zhou, Jianrong Steve

Journal:

Angewandte Chemie

Année:

2015

Langue:

english

Fichier:

PDF, 638 KB

english, 2015

10

Modified Scarf Osteotomy with Medial Capsular Interposition in Great Toe and Metatarsal Shortening Offset Osteotomy in Lesser Toes for Rheumatoid Deformity

Hirao, Makoto, Ebina, Kosuke, Tsuboi, Hideki, Nampei, Akihide, Tsuji, Shigeyoshi, Noguchi, Takaaki, Owaki, Hajime, Yoshikawa, Hideki, Hashimoto, Jun

Journal:

JBJS Essential Surgical Techniques

Année:

2018

Langue:

english

Fichier:

PDF, 1.19 MB

english, 2018

11

Which Oxidant Is Really Responsible for Sulfur Oxidation by Cytochrome P450?

Chunsen Li, Lixian Zhang, Chi Zhang, Hajime Hirao, Wei Wu, Sason Shaik

Journal:

Angewandte Chemie

Année:

2007

Langue:

english

Fichier:

PDF, 511 KB

english, 2007

12

Experiment and Theory Reveal the Fundamental Difference between Two-State and Single-State Reactivity Patterns in Nonheme FeIVO versus RuIVO Oxidants

Sunder N. Dhuri, Mi Sook Seo, Yong-Min Lee, Hajime Hirao, Yong Wang, Wonwoo Nam, Sason Shaik

Journal:

Angewandte Chemie

Année:

2008

Langue:

english

Fichier:

PDF, 527 KB

english, 2008

13

A Two-State Reactivity Model Explains Unusual Kinetic Isotope Effect Patterns in CH Bond Cleavage by Nonheme Oxoiron(IV) Complexes

Eric J. Klinker, Sason Shaik, Hajime Hirao, Lawrence Que Jr.

Journal:

Angewandte Chemie

Année:

2009

Langue:

english

Fichier:

PDF, 315 KB

english, 2009

14

Which Oxidant is Really Responsible for Sulfur Oxidation by Cytochrome P450?

Chunsen Li, Lixian Zhang, Chi Zhang, Hajime Hirao, Wei Wu, Sason Shaik

Journal:

Angewandte Chemie

Année:

2008

Fichier:

PDF, 159 KB

2008

15

Which Oxidant Is Really Responsible for Sulfur Oxidation by Cytochrome P450?

Chunsen Li, Lixian Zhang, Chi Zhang, Hajime Hirao, Wei Wu, Sason Shaik

Journal:

Angewandte Chemie International Edition

Année:

2007

Langue:

english

Fichier:

PDF, 511 KB

english, 2007

16

Experiment and Theory Reveal the Fundamental Difference between Two-State and Single-State Reactivity Patterns in Nonheme FeIVO versus RuIVO Oxidants

Sunder N. Dhuri, Mi Sook Seo, Yong-Min Lee, Hajime Hirao, Yong Wang, Wonwoo Nam, Sason Shaik

Journal:

Angewandte Chemie International Edition

Année:

2008

Langue:

english

Fichier:

PDF, 527 KB

english, 2008

17

A Two-State Reactivity Model Explains Unusual Kinetic Isotope Effect Patterns in CH Bond Cleavage by Nonheme Oxoiron(IV) Complexes

Eric J. Klinker, Sason Shaik, Hajime Hirao, Lawrence Que Jr.

Journal:

Angewandte Chemie International Edition

Année:

2009

Langue:

english

Fichier:

PDF, 315 KB

english, 2009

18

Which Oxidant is Really Responsible for Sulfur Oxidation by Cytochrome P450?

Chunsen Li, Lixian Zhang, Chi Zhang, Hajime Hirao, Wei Wu, Sason Shaik

Journal:

Angewandte Chemie International Edition

Année:

2008

Fichier:

PDF, 194 KB

2008

19

A Two-State Reactivity Rationale for Counterintuitive Axial Ligand Effects on the CH Activation Reactivity of Nonheme FeIVO Oxidants

Hajime Hirao, Lawrence Que Jr., Wonwoo Nam, Sason Shaik

Journal:

Chemistry - A European Journal

Année:

2008

Langue:

english

Fichier:

PDF, 973 KB

english, 2008

20

ChemInform Abstract: Recent Progress in the Theoretical Studies of Structure, Function, and Reaction of Biological Molecules

Hajime Hirao, Keiji Morokuma

Journal:

Année:

2011

Fichier:

PDF, 18 KB

2011

21

A reactive bond orbital investigation of the Diels-Alder reaction between 1,3-butadiene and ethylene: Energy decomposition, state correlation diagram, and electron density analyses

Journal:

Journal of Computational Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 188 KB

english, 2008

22

Discovery of selective and nonpeptidic cathepsin S inhibitors

Osamu Irie, Takeru Ehara, Atsuko Iwasaki, Fumiaki Yokokawa, Junichi Sakaki, Hajime Hirao, Takanori Kanazawa, Naoki Teno, Miyuki Horiuchi, Ichiro Umemura, Hiroki Gunji, Keiichi Masuya, Yuko Hitomi, Gen

Journal:

Bioorganic & Medicinal Chemistry Letters

Année:

2008

Langue:

english

Fichier:

PDF, 333 KB

english, 2008

23

Theoretical study of formic acid: A new look at the origin of the planar Z conformation and C–O rotational barrier

Journal:

Chemical Physics

Année:

2008

Langue:

english

Fichier:

PDF, 395 KB

english, 2008

24

Reactive bond orbitals: A localized resonance-structure approach to charge transfer

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 335 KB

english, 2007

25

Fabrication of p-type ferrimagnetic semiconductor thin films based on FeTiO3–Fe2O3 solid solution

Hajime Hojo, Koji Fujita, Katsuhisa Tanaka, Kazuyuki Hirao

Journal:

Journal of Magnetism and Magnetic Materials

Année:

2007

Langue:

english

Fichier:

PDF, 155 KB

english, 2007

26

Bis(amido)titanium complexes having chelating diaryloxo ligands bridged by sulfur or methylene and their catalytic behaviors for ring-opening polymerization of cyclic esters

Yoshinori Takashima, Yuushou Nakayama, Toshikazu Hirao, Hajime Yasuda, Akira Harada

Journal:

Journal of Organometallic Chemistry

Année:

2004

Langue:

english

Fichier:

PDF, 266 KB

english, 2004

27

Determination of lead in geostandard rocks by electrothermal atomic absorption spectrometry after isolation of lead with yield monitoring

Hajime Sugisaki, Hisako Nakamura, Yoshimitsu Hirao, Kan Kimura

Journal:

Analytica Chimica Acta

Année:

1981

Langue:

english

Fichier:

PDF, 366 KB

english, 1981

28

Transition-state optimization by the free energy gradient method: Application to aqueous-phase Menshutkin reaction between ammonia and methyl chloride

Hajime Hirao, Yukihiko Nagae, Masataka Nagaoka

Journal:

Chemical Physics Letters

Année:

2001

Langue:

english

Fichier:

PDF, 167 KB

english, 2001

29

Highly sensitive determination of lipid components including polyunsaturated fatty acids in individual zooplankters by one-step thermally assisted hydrolysis and methylation-gas chromatography in the presence of trimethylsulfonium hydroxide

Oh Nakanishi, Yasuyuki Ishida, Shingo Hirao, Shin Tsuge, Hajime Ohtani, Jotaro Urabe, Tatsuki Sekino, Masami Nakanishi, Takashi Kimoto

Journal:

Journal of Analytical and Applied Pyrolysis

Année:

2003

Langue:

english

Fichier:

PDF, 241 KB

english, 2003

30

QM/MM theoretical study of the pentacoordinate Mn(III) and resting states of manganese-reconstituted cytochrome P450cam

Hajime Hirao, Kyung-Bin Cho, Sason Shaik

Journal:

JBIC Journal of Biological Inorganic Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 279 KB

english, 2008

31

Sequentialization of a graph as a sparse-matrix technique for predominantly tridiagonal matrices

Hajime Nishimura, Masahiko Hirao

Journal:

Chemical Engineering Science

Année:

1988

Langue:

english

Fichier:

PDF, 752 KB

english, 1988

32

On the identity and reactivity patterns of the “second oxidant” of the T252A mutant of cytochrome P450cam in the oxidation of 5-methylenenylcamphor

Hajime Hirao, Devesh Kumar, Sason Shaik

Journal:

Journal of Inorganic Biochemistry

Année:

2006

Langue:

english

Fichier:

PDF, 462 KB

english, 2006

33

Syntheses of group 4 transition metal complexes bearing 2-pyridinethiolate ligands and their catalytic activities for ethylene polymerization

Yoshinori Takashima, Yuushou Nakayama, Mika Hashiguchi, Takashi Hosoda, Hajime Yasuda, Toshikazu Hirao, Akira Harada

Journal:

Année:

2006

Langue:

english

Fichier:

PDF, 402 KB

english, 2006

34

Pivotal Role of Water in Terminating Enzymatic Function: A Density Functional Theory Study of the Mechanism-Based Inactivation of Cytochromes P450

Hirao, Hajime, Cheong, Zhi Hao, Wang, Xiaoqing

Journal:

Journal of Physical Chemistry B

Année:

2012

Langue:

english

Fichier:

PDF, 3.37 MB

english, 2012

35

Effect of External Electric Fields on the C−H Bond Activation Reactivity of Nonheme Iron−Oxo Reagents

Hirao, Hajime, Chen, Hui, Carvajal, Maria Angels, Wang, Yong, Shaik, Sason

Journal:

Journal of the American Chemical Society

Année:

2008

Langue:

english

Fichier:

PDF, 549 KB

english, 2008

36

Correlation diagram approach as a tool for interpreting chemistry: an introductory overview

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Année:

2011

Langue:

english

Fichier:

PDF, 628 KB

english, 2011

37

Characteristic vibration patterns of odor compounds from bread-baking volatiles upon protein binding: density functional and ONIOM study and principal component analysis

Witcha Treesuwan, Hajime Hirao, Keiji Morokuma, Supa Hannongbua

Journal:

Journal of Molecular Modeling

Année:

2012

Langue:

english

Fichier:

PDF, 1.21 MB

english, 2012

38

Reactivity patterns of cytochrome P450 enzymes: multifunctionality of the active species, and the two states?two oxidants conundrum

Shaik, Sason, Hirao, Hajime, Kumar, Devesh

Journal:

Natural Product Reports

Année:

2007

Langue:

english

Fichier:

PDF, 743 KB

english, 2007

39

Comparison of the pharmacokinetic and pharmacodynamic profiles of biphasic insulin aspart 50 and 30 in patients with type 2 diabetes mellitus: A single-center, randomized, double-blind, two-period, crossover trial in Japan

Koichi Hirao, Hajime Maeda, Shinichi Urata, Yukiko Takisawa, Setsuko Hirao, Tatsuya Sasako, Tomio Sasaki

Journal:

Clinical Therapeutics

Année:

2007

Langue:

english

Fichier:

PDF, 566 KB

english, 2007

40

Differential modulation of leak K+ currents by PKG in masseter motoneurons

Hiroki Toyoda, Keiko Hirao, Mitsuru Saito, Hajime Sato, Youngnam Kang

Journal:

Neuroscience Research

Année:

2009

Langue:

english

Fichier:

PDF, 80 KB

english, 2009

41

Differential expression of TASK1/3 channels in masseter motoneurons

Keiko Hirao, Hiroki Toyoda, Mitsuru Saito, Hajime Sato, Kenji Takada, Youngnam Kang

Journal:

Neuroscience Research

Année:

2009

Langue:

english

Fichier:

PDF, 80 KB

english, 2009

42

Effect of acarbose versus sulfonylurea therapy on insulin sensitivity: An insulin clamp study

Toru Kinoshita, Hajime Maeda, Shinichi Urata, Koichi Hirao

Journal:

Current Therapeutic Research

Année:

1999

Langue:

english

Fichier:

PDF, 467 KB

english, 1999

43

Abnormal N-Heterocyclic Carbene Gold(I) Complexes: Synthesis, Structure, and Catalysis in Hydration of Alkynes

Xu, Xiangya, Kim, Seung Hyo, Zhang, Xi, Das, Atanu Kumar, Hirao, Hajime, Hong, Soon Hyeok

Journal:

Organometallics

Année:

2013

Langue:

english

Fichier:

PDF, 1.02 MB

english, 2013

44

ONIOM (DFT:MM) Study of the Catalytic Mechanism of myo -Inositol Monophosphatase: Essential Role of Water in Enzyme Catalysis in the Two-Metal Mechanism

Wang, Xiaoqing, Hirao, Hajime

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 1.84 MB

english, 2013

45

Electrochemical Properties of Phenols and Quinones in Organic Solvents are Strongly Influenced by Hydrogen-Bonding with Water

Tessensohn, Malcolm E., Hirao, Hajime, Webster, Richard D.

Journal:

The Journal of Physical Chemistry C

Année:

2013

Langue:

english

Fichier:

PDF, 2.27 MB

english, 2013

46

QM/MM Study of the Active Species of the Human Cytochrome P450 3A4, and the Influence Thereof of the Multiple Substrate Binding

Fishelovitch, Dan, Hazan, Carina, Hirao, Hajime, Wolfson, Haim J., Nussinov, Ruth, Shaik, Sason

Journal:

Journal of Physical Chemistry B

Année:

2007

Langue:

english

Fichier:

PDF, 522 KB

english, 2007

47

Comparative computational analysis of binding energies between several divalent first-row transition metals (Cr2+, Mn2+, Fe2+, Co2+, Ni2+, and Cu2+) and ligands (porphine, corrin, and TMC)

Myradalyyev, Serdaraly, Limpanuparb, Taweetham, Wang, Xiaoqing, Hirao, Hajime

Journal:

Année:

2013

Langue:

english

Fichier:

PDF, 546 KB

english, 2013

48

Comparative Reactivity of Ferric-Superoxo and Ferryl-Oxo Species in Heme and Non-Heme Complexes

Chung, Lung Wa, Li, Xin, Hirao, Hajime, Morokuma, Keiji

Journal:

Journal of the American Chemical Society

Année:

2011

Langue:

english

Fichier:

PDF, 780 KB

english, 2011

49

Gold-Catalyzed Cycloisomerization of 1,6-Diyne Carbonates and Esters to 2,4a-Dihydro-1 H -fluorenes

Rao, Weidong, Koh, Ming Joo, Li, Dan, Hirao, Hajime, Chan, Philip Wai Hong

Journal:

Journal of the American Chemical Society

Année:

2013

Langue:

english

Fichier:

PDF, 288 KB

english, 2013

50

Weak Arene CH⋅⋅⋅O Hydrogen Bonding in Palladium-Catalyzed Arylation and Vinylation of Lactones

Huang, Zhiyan, Chen, Zuliang, Lim, Li Hui, Quang, Gia Chuong Phan, Hirao, Hajime, Zhou, Jianrong Steve

Journal:

Angewandte Chemie International Edition

Année:

2013

Langue:

english

Fichier:

PDF, 732 KB

english, 2013