Hajime Hirao

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 31

Top Topics

Iron Deficiency

Cardiopulmonary Resuscitation

Highly Efficient

Crystal Structure

Top Venues

Journal of the American Chemical Society

The journal of physical chemistry. B

The journal of physical chemistry. A

Inorganic chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Enhua Zhang, Hajime Hirao
Exploring the Bonding Nature of Iron(IV)-Oxo Species through Valence Bond Calculations and Electron Density Analysis. The journal of physical chemistry. A (2024)
Songyan Xia, Hajime Hirao
The Dissociation Process of NADP + from NADPH-Cytochrome P450 Reductase Studied by Molecular Dynamics Simulation. The journal of physical chemistry. B 128 (29) (2024)
Enhua Zhang, Hajime Hirao
Exploring the Bonding Nature of Iron(IV)-Oxo Species through Valence Bond Calculations and Electron Density Analysis. The journal of physical chemistry. A 128 (34) (2024)
Enhua Zhang, Hajime Hirao
Exploring the Bonding Nature of Iron(IV)-Oxo Species through Valence Bond Calculations and Electron Density Analysis. The journal of physical chemistry. A 128 (34) (2024)
Songyan Xia, Hajime Hirao
The Dissociation Process of NADP + from NADPH-Cytochrome P450 Reductase Studied by Molecular Dynamics Simulation. The journal of physical chemistry. B 128 (29) (2024)
Songyan Xia, Hajime Hirao
The Dissociation Process of NADP + from NADPH-Cytochrome P450 Reductase Studied by Molecular Dynamics Simulation. The journal of physical chemistry. B (2024)
Songyan Xia, Hajime Hirao
The Dissociation Process of NADP + from NADPH-Cytochrome P450 Reductase Studied by Molecular Dynamics Simulation. The journal of physical chemistry. B 128 (29) (2024)
Shenghan Teng, Elvis Wang Hei Ng, Zhenguo Zhang, Chee Ning Soon, Hailun Xu, Rui Fang Li, Hajime Hirao, Teck Peng Loh
Alkynone β-trifluoroborates: A new class of amine-specific biocompatible click reagents. Science advances 9 (17) (2023)
Hajime Hirao, Enhua Zhang
Bidirectional Charge Transfer at the Heme Iron in Reversible and Quasi-irreversible Cytochrome P450 Inhibition. Inorganic chemistry (2023)
Shenghan Teng, Elvis Wang Hei Ng, Zhenguo Zhang, Chee Ning Soon, Hailun Xu, Rui Fang Li, Hajime Hirao, Teck Peng Loh
Alkynone β-trifluoroborates: A new class of amine-specific biocompatible click reagents. Science advances 9 (17) (2023)
Dongxiao Yue, Hajime Hirao
Mechanism of Selective Aromatic Hydroxylation in the Metabolic Transformation of Paclitaxel Catalyzed by Human CYP3A4. Journal of chemical information and modeling (2023)
Youxiang Jin, Lian-Feng Fan, Elvis Wang Hei Ng, Lu Yu, Hajime Hirao, Liu-Zhu Gong
Atom Transfer Radical Coupling Enables Highly Enantioselective Carbo-Oxygenation of Alkenes with Hydrocarbons. Journal of the American Chemical Society (2023)
Shuyang Liu, Songyan Xia, Dongxiao Yue, Haoran Sun, Hajime Hirao
The Bonding Nature of Fe-CO Complexes in Heme Proteins. Inorganic chemistry 61 (44) (2022)
Hajime Hirao, Songyan Xia, Shuyang Liu
Spectral features of the ferrous-CO complex in cytochrome P450: a revisit using TDDFT calculations. Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry (2022)
Shuyang Liu, Hajime Hirao
Energy Decomposition Analysis of the Nature of Coordination Bonding at the Heme Iron Center in Cytochrome P450 Inhibition. Chemistry, an Asian journal 17 (13) (2022)
Yeqing Xia, Shixiong He, Junhui Bao, Hajime Hirao, Shek-Man Yiu, Michael C W Chan
Cooperativity in Shape-Persistent Bis-(Zn-salphen) Catalysts for Efficient Cyclic Carbonate Synthesis under Mild Conditions. Inorganic chemistry 61 (48) (2022)
Meng-Fan Wang, Yan Mi, Fei-Long Hu, Hajime Hirao, Zheng Niu, Pierre Braunstein, Jian-Ping Lang
Controllable multiple-step configuration transformations in a thermal/photoinduced reaction. Nature communications 13 (1) (2022)
Zhiqing Deng, Cai Li, Shu Chen, Qiyuan Zhou, Zoufeng Xu, Zhigang Wang, Houzong Yao, Hajime Hirao, Guangyu Zhu
An intramolecular photoswitch can significantly promote photoactivation of Pt(iv) prodrugs. Chemical science 12 (19) (2021)
Chun-Yu Liu, Xu-Ran Chen, Hui-Xian Chen, Zheng Niu, Hajime Hirao, Pierre Braunstein, Jian-Ping Lang
Ultrafast Luminescent Light-Up Guest Detection Based on the Lock of the Host Molecular Vibration. Journal of the American Chemical Society 142 (14) (2020)
Nam Kwon, Jong-Min Suh, Mi Hee Lim, Hajime Hirao, Jaeheung Cho
Mechanistic insight into hydroxamate transfer reaction mimicking the inhibition of zinc-containing enzymes. Chemical science 11 (33) (2020)
Tomoki Ogoshi, Yukie Hamada, Ryuta Sueto, Yoko Sakata, Shigehisa Akine, Adhitya Mangala Putra Moeljadi, Hajime Hirao, Takahiro Kakuta, Tada-Aki Yamagishi, Motohiro Mizuno
Host-Guest Complexation Using Pillar[5]arene Crystals: Crystal-Structure Dependent Uptake, Release, and Molecular Dynamics of an Alkane Guest. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (10) (2019)
Chunlin Wu, Xurong Qin, Adhitya Mangala Putra Moeljadi, Hajime Hirao, Jianrong Steve Zhou
Copper-Catalyzed Asymmetric Arylation of N-Heteroaryl Aldimines: Elementary Step of a 1,4-Insertion. Angewandte Chemie (International ed. in English) 58 (9) (2019)
Masayuki Nihei, Hiromichi Ida, Takayuki Nibe, Adhitya Mangala Putra Moeljadi, Quang Thang Trinh, Hajime Hirao, Manabu Ishizaki, Masato Kurihara, Takuya Shiga, H Hiroki Oshio
Ferrihydrite Particle Encapsulated within a Molecular Organic Cage. Journal of the American Chemical Society 140 (50) (2018)
Bochao Su, Kei Ota, Kai Xu, Hajime Hirao, Rei Kinjo
Zwitterionic Inorganic Benzene Valence Isomer with σ-Bonding between Two π-Orbitals. Journal of the American Chemical Society 140 (38) (2018)
Kazuki Doitomi, Kai Xu, Hajime Hirao
The mechanism of an asymmetric ring-opening reaction of epoxide with amine catalyzed by a metal-organic framework: insights from combined quantum mechanics and molecular mechanics calculations. Dalton transactions (Cambridge, England : 2003) 46 (11) (2018)
Tomoki Ogoshi, Ryuta Sueto, Yukie Hamada, Kazuki Doitomi, Hajime Hirao, Yoko Sakata, Shigehisa Akine, Takahiro Kakuta, Tada-Aki Yamagishi
Alkane-length sorting using activated pillar[5]arene crystals. Chemical communications (Cambridge, England) 53 (61) (2018)
Ruixing Wang, Mikhail Ozhgibesov, Hajime Hirao
Analytical hessian fitting schemes for efficient determination of force-constant parameters in molecular mechanics. Journal of computational chemistry 39 (6) (2017)
Dabon Lee, Sang Min Kim, Hajime Hirao, Soon Hyeok Hong
Gold(I)/Gold(III)-Catalyzed Selective Synthesis of N-Sulfonyl Enaminone Isomers from Sulfonamides and Ynones via Two Distinct Reaction Pathways. Organic letters 19 (18) (2017)
Liang Shen, Kai Zhao, Kazuki Doitomi, Rakesh Ganguly, Yong-Xin Li, Zhi-Liang Shen, Hajime Hirao, Teck Peng Loh
Lewis Acid-Catalyzed Selective [2 + 2]-Cycloaddition and Dearomatizing Cascade Reaction of Aryl Alkynes with Acrylates. Journal of the American Chemical Society 139 (38) (2017)
Peng Yang, Li Hui Lim, Pratanphorn Chuanprasit, Hajime Hirao, Jianrong Steve Zhou
Nickel-Catalyzed Enantioselective Reductive Amination of Ketones with Both Arylamines and Benzhydrazide. Angewandte Chemie (International ed. in English) 55 (39) (2016)
Zonghan Hong, Derek Yiren Ong, Subas Kumar Muduli, Pei Chui Too, Guo Hao Chan, Ya Lin Tnay, Shunsuke Chiba, Yusuke Nishiyama, Hajime Hirao, Han Sen Soo
Understanding the Origins of Nucleophilic Hydride Reactivity of a Sodium Hydride-Iodide Composite. Chemistry (Weinheim an der Bergstrasse, Germany) 22 (21) (2016)