Works by Hirao, Hajime

Results: 97

Valence Bond Insights into the H-Abstraction Barrier in Cytochrome P450.

Published in:

Molecules, 2025, v. 30, n. 10, p. 2242, doi. 10.3390/molecules30102242

By:

Zhang, Enhua;
Hirao, Hajime

Publication type:

Article

Nickel-Catalyzed Enantioselective Reductive Amination of Ketones with Both Arylamines and Benzhydrazide.

Published in:

Angewandte Chemie, 2016, v. 128, n. 39, p. 12262, doi. 10.1002/ange.201606821

By:

Yang, Peng;
Lim, Li Hui;
Chuanprasit, Pratanphorn;
Hirao, Hajime;
Zhou, Jianrong (Steve)

Publication type:

Article

Enantioselective Sulfoxidation Catalyzed by a Bisguanidinium Diphosphatobisperoxotungstate Ion Pair.

Published in:

Angewandte Chemie, 2016, v. 128, n. 25, p. 7217, doi. 10.1002/ange.201601574

By:

Ye, Xinyi;
Moeljadi, Adhitya Mangala Putra;
Chin, Kek Foo;
Hirao, Hajime;
Zong, Lili;
Tan, Choon ‐ Hong

Publication type:

Article

Hydride Reduction by a Sodium Hydride-Iodide Composite.

Published in:

Angewandte Chemie, 2016, v. 128, n. 11, p. 3783, doi. 10.1002/ange.201600305

By:

Too, Pei Chui;
Chan, Guo Hao;
Tnay, Ya Lin;
Hirao, Hajime;
Chiba, Shunsuke

Publication type:

Article

Palladium-Catalyzed Asymmetric Reductive Heck Reaction of Aryl Halides.

Published in:

Angewandte Chemie, 2015, v. 127, n. 22, p. 6631, doi. 10.1002/ange.201501712

By:

Yue, Guizhou;
Lei, Kaining;
Hirao, Hajime;
Zhou, Jianrong (Steve)

Publication type:

Article

Nickel-Catalyzed Asymmetric Transfer Hydrogenation of Hydrazones and Other Ketimines.

Published in:

Angewandte Chemie, 2015, v. 127, n. 17, p. 5201, doi. 10.1002/ange.201501018

By:

Xu, Haiyan;
Yang, Peng;
Chuanprasit, Pratanphorn;
Hirao, Hajime;
Zhou, Jianrong (Steve)

Publication type:

Article

Metal-Free σ-Bond Metathesis in 1,3,2-Diazaphospholene-Catalyzed Hydroboration of Carbonyl Compounds.

Published in:

Angewandte Chemie, 2015, v. 127, n. 1, p. 192, doi. 10.1002/ange.201408760

By:

Chong, Che Chang;
Hirao, Hajime;
Kinjo, Rei

Publication type:

Article

A General Palladium-Catalyzed Method for Alkylation of Heteroarenes Using Secondary and Tertiary Alkyl Halides.

Published in:

Angewandte Chemie, 2014, v. 126, n. 49, p. 13791, doi. 10.1002/ange.201408355

By:

Wu, Xiaojin;
See, Jessica Wei Ting;
Xu, Kai;
Hirao, Hajime;
Roger, Julien;
Hierso, Jean ‐ Cyrille;
Zhou, Jianrong (Steve)

Publication type:

Article

A Concerted Transfer Hydrogenolysis: 1,3,2-Diazaphospholene-Catalyzed Hydrogenation of NN Bond with Ammonia-Borane.

Published in:

Angewandte Chemie, 2014, v. 126, n. 13, p. 3410, doi. 10.1002/ange.201400099

By:

Chong, Che Chang;
Hirao, Hajime;
Kinjo, Rei

Publication type:

Article

Inorganic-Base-Mediated Hydroamination of Alkenyl Oximes for the Synthesis of Cyclic Nitrones.

Published in:

Angewandte Chemie, 2014, v. 126, n. 7, p. 1990, doi. 10.1002/ange.201308617

By:

Peng, Xingao;
Tong, Benny Meng Kiat;
Hirao, Hajime;
Chiba, Shunsuke

Publication type:

Article

CH-π and CF-π Interactions Lead to Structural Changes of N-Heterocyclic Carbene Palladium Complexes.

Published in:

Angewandte Chemie, 2014, v. 126, n. 5, p. 1307, doi. 10.1002/ange.201309371

By:

Xu, Xiangya;
Pooi, Benjamin;
Hirao, Hajime;
Hong, Soon Hyeok

Publication type:

Article

Palladium-Catalyzed Asymmetric Intermolecular Cyclization.

Published in:

Angewandte Chemie, 2013, v. 125, n. 33, p. 8838, doi. 10.1002/ange.201303753

By:

Hu, Jian;
Hirao, Hajime;
Li, Yongxin;
Zhou, Jianrong (Steve)

Publication type:

Article

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

Published in:

Angewandte Chemie, 2013, v. 125, n. 22, p. 5919, doi. 10.1002/ange.201300481

By:

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

Publication type:

Article

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

Published in:

Angewandte Chemie International Edition, 2009, v. 48, n. 7, p. 1291, doi. 10.1002/anie.200804029

By:

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

Publication type:

Article

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

Published in:

Angewandte Chemie International Edition, 2008, v. 47, n. 43, p. 8148, doi. 10.1002/anie.200890215

By:

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

Publication type:

Article

Experiment and Theory Reveal the Fundamental Difference between Two-State and Single-State Reactivity Patterns in Nonheme FeIVO versus RuIVO Oxidants.

Published in:

Angewandte Chemie International Edition, 2008, v. 47, n. 18, p. 3356, doi. 10.1002/anie.200705880

By:

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

Publication type:

Article

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

Published in:

Angewandte Chemie International Edition, 2007, v. 46, n. 43, p. 8168, doi. 10.1002/anie.200702867

By:

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

Publication type:

Article

Front Cover: Host–Guest Complexation Using Pillar[5]arene Crystals: Crystal‐Structure Dependent Uptake, Release, and Molecular Dynamics of an Alkane Guest (Chem. Eur. J. 10/2019).

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 10, p. 2375, doi. 10.1002/chem.201900219

By:

Ogoshi, Tomoki;
Hamada, Yukie;
Sueto, Ryuta;
Sakata, Yoko;
Akine, Shigehisa;
Moeljadi, Adhitya Mangala Putra;
Hirao, Hajime;
Kakuta, Takahiro;
Yamagishi, Tada‐aki;
Mizuno, Motohiro

Publication type:

Article

Host–Guest Complexation Using Pillar[5]arene Crystals: Crystal‐Structure Dependent Uptake, Release, and Molecular Dynamics of an Alkane Guest.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 10, p. 2378, doi. 10.1002/chem.201900220

By:

Ogoshi, Tomoki;
Hamada, Yukie;
Sueto, Ryuta;
Sakata, Yoko;
Akine, Shigehisa;
Moeljadi, Adhitya Mangala Putra;
Hirao, Hajime;
Kakuta, Takahiro;
Yamagishi, Tada‐aki;
Mizuno, Motohiro

Publication type:

Article

Host–Guest Complexation Using Pillar[5]arene Crystals: Crystal‐Structure Dependent Uptake, Release, and Molecular Dynamics of an Alkane Guest.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 10, p. 2497, doi. 10.1002/chem.201805733

By:

Ogoshi, Tomoki;
Hamada, Yukie;
Sueto, Ryuta;
Sakata, Yoko;
Akine, Shigehisa;
Moeljadi, Adhitya Mangala Putra;
Hirao, Hajime;
Kakuta, Takahiro;
Yamagishi, Tada‐aki;
Mizuno, Motohiro

Publication type:

Article

Pd-Catalyzed, Ligand-Enabled Stereoselective 1,2-Iodine(III) Shift/1,1-Carboxyalkynylation of Alkynylbenziodoxoles.

Published in:

Chemistry - A European Journal, 2017, v. 23, n. 7, p. 1521, doi. 10.1002/chem.201605772

By:

Wu, Junliang;
Xu, Kai;
Hirao, Hajime;
Yoshikai, Naohiko

Publication type:

Article

Back Cover: Understanding the Origins of Nucleophilic Hydride Reactivity of a Sodium Hydride-Iodide Composite (Chem. Eur. J. 21/2016).

Published in:

Chemistry - A European Journal, 2016, v. 22, n. 21, p. 7300, doi. 10.1002/chem.201601556

By:

Hong, Zonghan;
Ong, Derek Yiren;
Muduli, Subas Kumar;
Too, Pei Chui;
Chan, Guo Hao;
Tnay, Ya Lin;
Chiba, Shunsuke;
Nishiyama, Yusuke;
Hirao, Hajime;
Soo, Han Sen

Publication type:

Article

Understanding the Origins of Nucleophilic Hydride Reactivity of a Sodium Hydride-Iodide Composite.

Published in:

Chemistry - A European Journal, 2016, v. 22, n. 21, p. 7108, doi. 10.1002/chem.201600340

By:

Hong, Zonghan;
Ong, Derek Yiren;
Muduli, Subas Kumar;
Too, Pei Chui;
Chan, Guo Hao;
Tnay, Ya Lin;
Chiba, Shunsuke;
Nishiyama, Yusuke;
Hirao, Hajime;
Soo, Han Sen

Publication type:

Article

Diastereo-Divergent Synthesis of Saturated Azaheterocycle Enabled by tBuOK-Mediated Hydroamination of Alkenyl Hydrazones.

Published in:

Chemistry - A European Journal, 2015, v. 21, n. 52, p. 19112, doi. 10.1002/chem.201504160

By:

Atsushi Kaga;
Xingao Peng;
Hajime Hirao;
Shunsuke Chiba

Publication type:

Article

Fabrication of Ruthenium Nanoparticles in Porous Organic Polymers:Towards Advanced Heterogeneous Catalytic Nanoreactors.

Published in:

Chemistry - A European Journal, 2015, v. 21, n. 52, p. 19016, doi. 10.1002/chem.201504055

By:

Mondal, John;
Kundu, Sudipta K.;
Kwok Hung Ng, Wilson;
Singuru, Ramana;
Borah, Parijat;
Hajime Hirao;
Yanli Zhao;
Bhaumik, Asim

Publication type:

Article

Front Cover Picture: Acceptorless and Base-free Dehydrogenation of Cyanohydrin with (η6-Arene)halide(Bidentate Phosphine)ruthenium(II) Complex (Adv. Synth. Catal. 19/2017).

Published in:

Advanced Synthesis & Catalysis, 2017, v. 359, n. 19, p. 3273, doi. 10.1002/adsc.201701132

By:

Kim, Kicheol;
Moeljadi, Adhitya Mangala Putra;
Hirao, Hajime;
Hong, Soon Hyeok

Publication type:

Article

Acceptorless and Base-free Dehydrogenation of Cyanohydrin with (η6-Arene)halide(Bidentate Phosphine)ruthenium(II) Complex.

Published in:

Advanced Synthesis & Catalysis, 2017, v. 359, n. 19, p. 3292, doi. 10.1002/adsc.201700786

By:

Kim, Kicheol;
Moeljadi, Adhitya Mangala Putra;
Hirao, Hajime;
Hong, Soon Hyeok

Publication type:

Article

Enhancing the high-spin reactivity in C-H bond activation by Iron (IV)-Oxo species: insights from paclitaxel hydroxylation by CYP2C8.

Published in:

Frontiers in Chemistry, 2024, p. 1, doi. 10.3389/fchem.2024.1471741

By:

Yue, Dongxiao;
Hirao, Hajime

Publication type:

Article

Enhancing the high-spin reactivity in C-H bond activation by Iron (IV)-Oxo species: insights from paclitaxel hydroxylation by CYP2C8.

Published in:

Frontiers in Chemistry, 2024, p. 1, doi. 10.3389/fchem.2024.1471741

By:

Yue, Dongxiao;
Hirao, Hajime;
Su, Hao;
Wu, Xuesong

Publication type:

Article

Enhancing the high-spin reactivity in C-H bond activation by Iron (IV)-Oxo species: insights from paclitaxel hydroxylation by CYP2C8.

Published in:

Frontiers in Chemistry, 2024, p. 01, doi. 10.3389/fchem.2024.1471741

By:

Dongxiao Yue;
Hajime Hirao;
Hao Su;
Xuesong Wu

Publication type:

Article

Controllable multiple-step configuration transformations in a thermal/photoinduced reaction.

Published in:

Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-30597-w

By:

Wang, Meng-Fan;
Mi, Yan;
Hu, Fei-Long;
Hirao, Hajime;
Niu, Zheng;
Braunstein, Pierre;
Lang, Jian-Ping

Publication type:

Article

Zwitterionic Base-Stabilized Digermadistannacyclobutadiene and Tetragermacyclobutadiene.

Published in:

Chemistry - A European Journal, 2013, v. 19, n. 43, p. 14726, doi. 10.1002/chem.201300447

By:

Yeong, Hui‐Xian;
Xi, Hong‐Wei;
Li, Yongxin;
Kunnappilly, Sophy Bhasi;
Chen, Bozhen;
Lau, Kai‐Chung;
Hirao, Hajime;
Lim, Kok Hwa;
So, Cheuk‐Wai

Publication type:

Article

Cover Picture: How Is a Metabolic Intermediate Formed in the Mechanism-Based Inactivation of Cytochrome P450 by Using 1,1-Dimethylhydrazine: Hydrogen Abstraction or Nitrogen Oxidation? (Chem. Eur. J. 23/2013).

Published in:

Chemistry - A European Journal, 2013, v. 19, n. 23, p. 7253, doi. 10.1002/chem.201390081

By:

Hirao, Hajime;
Chuanprasit, Pratanphorn;
Cheong, Ying Yi;
Wang, Xiaoqing

Publication type:

Article

How Is a Metabolic Intermediate Formed in the Mechanism-Based Inactivation of Cytochrome P450 by Using 1,1-Dimethylhydrazine: Hydrogen Abstraction or Nitrogen Oxidation?

Published in:

Chemistry - A European Journal, 2013, v. 19, n. 23, p. 7361, doi. 10.1002/chem.201300689

By:

Hirao, Hajime;
Chuanprasit, Pratanphorn;
Cheong, Ying Yi;
Wang, Xiaoqing

Publication type:

Article

Achieving Vinylic Selectivity in Mizoroki-Heck Reaction of Cyclic Olefins.

Published in:

Chemistry - A European Journal, 2013, v. 19, n. 19, p. 6014, doi. 10.1002/chem.201204427

By:

Wu, Xiaojin;
Lu, Yunpeng;
Hirao, Hajime;
Zhou, Jianrong (Steve)

Publication type:

Article

1-(2′-Anilinyl)prop-2-yn-1-ol Rearrangement for Oxindole Synthesis.

Published in:

Chemistry - A European Journal, 2013, v. 19, n. 6, p. 1978, doi. 10.1002/chem.201202606

By:

Kothandaraman, Prasath;
Koh, Bing Qin;
Limpanuparb, Taweetham;
Hirao, Hajime;
Chan, Philip Wai Hong

Publication type:

Article

Co-H interaction inspired alternate coordination geometries of biologically important cob(I)alamin: possible structural and mechanistic consequences for methyltransferases.

Published in:

Journal of Biological Inorganic Chemistry (JBIC), 2012, v. 17, n. 7, p. 1107, doi. 10.1007/s00775-012-0924-x

By:

Kumar, Manoj;
Hirao, Hajime;
Kozlowski, Pawel

Publication type:

Article

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

Published in:

Journal of Biological Inorganic Chemistry (JBIC), 2008, v. 13, n. 4, p. 521, doi. 10.1007/s00775-007-0340-9

By:

Hirao, Hajime;
Kyung-Bin Cho;
Shaik, Sason

Publication type:

Article

Energy Decomposition Analysis of the Nature of Coordination Bonding at the Heme Iron Center in Cytochrome P450 Inhibition.

Published in:

Chemistry - An Asian Journal, 2022, v. 17, n. 13, p. 1, doi. 10.1002/asia.202200360

By:

Liu, Shuyang;
Hirao, Hajime

Publication type:

Article

Energy Decomposition Analysis of the Nature of Coordination Bonding at the Heme Iron Center in Cytochrome P450 Inhibition.

Published in:

Chemistry - An Asian Journal, 2022, v. 17, n. 13, p. 1, doi. 10.1002/asia.202200360

By:

Liu, Shuyang;
Hirao, Hajime

Publication type:

Article

Nickel‐Catalyzed Enantioconvergent Allenylic Amination of Allenols Activated by Hydrogen‐Bonding Interaction with Methanol.

Published in:

Angewandte Chemie International Edition, 2024, v. 63, n. 40, p. 1, doi. 10.1002/anie.202410743

By:

Zhang, Wen‐Qian;
Lin, Zihan;
Wu, Danxing;
Wang, Yuhao;
Hirao, Hajime;
Gong, Liu‐Zhu

Publication type:

Article

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

Published in:

Journal of Molecular Modeling, 2012, v. 18, n. 5, p. 2227, doi. 10.1007/s00894-011-1227-9

By:

Treesuwan, Witcha;
Hirao, Hajime;
Morokuma, Keiji;
Hannongbua, Supa

Publication type:

Article

Selective and Catalyst-free Oxidation of D-Glucose to D-Glucuronic acid induced by High-Frequency Ultrasound.

Published in:

Scientific Reports, 2017, p. 40650, doi. 10.1038/srep40650

By:

Amaniampong, Prince N.;
Karam, Ayman;
Trinh, Quang Thang;
Xu, Kai;
Hirao, Hajime;
Jérôme, François;
Chatel, Gregory

Publication type:

Article

Fluorescein-Containing Superoxide Probes with a Modular Copper-Based Trigger.

Published in:

ChemPlusChem, 2020, v. 85, n. 4, p. 653, doi. 10.1002/cplu.202000059

By:

Fung Kit Tang;
Zuo Hang Yu;
Thomas Hin-Fung Wong;
Clive Yik-Sham Chung;
Hajime Hirao;
Ho Yu Au-Yeung

Publication type:

Article

Molecular weight fractionation by confinement of polymer in one-dimensional pillar[5]arene channels.

Published in:

Nature Communications, 2019, v. 10, n. 1, p. 1, doi. 10.1038/s41467-019-08372-1

By:

Ogoshi, Tomoki;
Sueto, Ryuta;
Yagyu, Masafumi;
Kojima, Ryosuke;
Kakuta, Takahiro;
Yamagishi, Tada-aki;
Doitomi, Kazuki;
Tummanapelli, Anil Kumar;
Hirao, Hajime;
Sakata, Yoko;
Akine, Shigehisa;
Mizuno, Motohiro

Publication type:

Article

Theoretical Study on the Aliphatic C─H Bond Activation by a Mononuclear Manganese(III) Iodosylbenzene Complex.

Published in:

Bulletin of the Korean Chemical Society, 2021, v. 42, n. 7, p. 1033, doi. 10.1002/bkcs.12300

By:

Jeong, Donghyun;
Hirao, Hajime;
Cho, Jaeheung

Publication type:

Article

Energy Decomposition Analysis of the Protein Environmental Effect: The Case of Cytochrome P450cam Compound I.

Published in:

Chemistry Letters, 2011, v. 40, n. 10, p. 38, doi. 10.1246/cl.2011.1179

By:

Hirao, Hajime

Publication type:

Article

A Two-State Reactivity Rationale for Counterintuitive Axial Ligand Effects on the CH Activation Reactivity of Nonheme FeIVO Oxidants.

Published in:

Chemistry - A European Journal, 2008, v. 14, n. 6, p. 1740, doi. 10.1002/chem.200701739

By:

Hirao, Hajime;
Que, Lawrence;
Nam, Wonwoo;
Shaik, Sason

Publication type:

Article

Nickel‐Catalyzed Enantioconvergent Allenylic Amination of Allenols Activated by Hydrogen‐Bonding Interaction with Methanol.

Published in:

Angewandte Chemie, 2024, v. 136, n. 40, p. 1, doi. 10.1002/ange.202410743

By:

Zhang, Wen‐Qian;
Lin, Zihan;
Wu, Danxing;
Wang, Yuhao;
Hirao, Hajime;
Gong, Liu‐Zhu

Publication type:

Article

Synergistic Charge Transfer Effect in Ferrous Heme–CO Bonding within Cytochrome P450.

Published in:

Molecules, 2024, v. 29, n. 4, p. 873, doi. 10.3390/molecules29040873

By:

Zhang, Enhua;
Hirao, Hajime

Publication type:

Article