Water Complexes of Cytochrome P450: Insights from Energy Decomposition Analysis

por Thellamurege, Nandun, Hirao, Hajime
Publicado 2013

Applications of density functional theory to iron-containing molecules of bioinorganic interest

por Hirao, Hajime, Thellamurege, Nandun, Zhang, Xi
Publicado 2014

Importance of H-Abstraction in the Final Step of Nitrosoalkane Formation in the Mechanism-Based Inactivation of Cytochrome P450 by Amine-Containing Drugs

por Hirao, Hajime, Thellamurege, Nandun M., Chuanprasit, Pratanphorn, Xu, Kai
Publicado 2013

Ambiphilic boron in 1,4,2,5-diazadiborinine

por Wang, Baolin, Li, Yongxin, Ganguly, Rakesh, Hirao, Hajime, Kinjo, Rei
Publicado 2016

Mechanistic insight into hydroxamate transfer reaction mimicking the inhibition of zinc-containing enzymes

por Kwon, Nam, Suh, Jong-Min, Lim, Mi Hee, Hirao, Hajime, Cho, Jaeheung
Publicado 2020

Hydride Reduction by a Sodium Hydride–Iodide Composite

por Too, Pei Chui, Chan, Guo Hao, Tnay, Ya Lin, Hirao, Hajime, Chiba, Shunsuke
Publicado 2016

Reversible [4 + 2] cycloaddition reaction of 1,3,2,5-diazadiborinine with ethylene

por Wu, Di, Ganguly, Rakesh, Li, Yongxin, Hoo, Sin Ni, Hirao, Hajime, Kinjo, Rei
Publicado 2015

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

por Amaniampong, Prince N., Karam, Ayman, Trinh, Quang Thang, Xu, Kai, Hirao, Hajime, Jérôme, François, Chatel, Gregory
Publicado 2017

Selective photocatalytic C–C bond cleavage under ambient conditions with earth abundant vanadium complexes

por Gazi, Sarifuddin, Hung Ng, Wilson Kwok, Ganguly, Rakesh, Putra Moeljadi, Adhitya Mangala, Hirao, Hajime, Soo, Han Sen
Publicado 2015

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

por Wang, Meng-Fan, Mi, Yan, Hu, Fei-Long, Hirao, Hajime, Niu, Zheng, Braunstein, Pierre, Lang, Jian-Ping
Publicado 2022

An intramolecular photoswitch can significantly promote photoactivation of Pt(iv) prodrugs

por Deng, Zhiqin, Li, Cai, Chen, Shu, Zhou, Qiyuan, Xu, Zoufeng, Wang, Zhigang, Yao, Houzong, Hirao, Hajime, Zhu, Guangyu
Publicado 2021

Bisguanidinium dinuclear oxodiperoxomolybdosulfate ion pair-catalyzed enantioselective sulfoxidation

por Zong, Lili, Wang, Chao, Moeljadi, Adhitya Mangala Putra, Ye, Xinyi, Ganguly, Rakesh, Li, Yongxin, Hirao, Hajime, Tan, Choon-Hong
Publicado 2016

Alkynone β-trifluoroborates: A new class of amine-specific biocompatible click reagents

por Teng, Shenghan, Ng, Elvis Wang Hei, Zhang, Zhenguo, Soon, Chee Ning, Xu, Hailun, Li, Ruifang, Hirao, Hajime, Loh, Teck-Peng
Publicado 2023

Integrated Experimental and Theoretical Study of Shape-Controlled Catalytic Oxidative Coupling of Aromatic Amines over CuO Nanostructures

por Singuru, Ramana, Trinh, Quang Thang, Banerjee, Biplab, Govinda Rao, Bolla, Bai, Linyi, Bhaumik, Asim, Reddy, Benjaram Mahipal, Hirao, Hajime, Mondal, John
Publicado 2016

A reaction mode of carbene-catalysed aryl aldehyde activation and induced phenol OH functionalization

por Chen, Xingkuan, Wang, Hongling, Doitomi, Kazuki, Ooi, Chong Yih, Zheng, Pengcheng, Liu, Wangsheng, Guo, Hao, Yang, Song, Song, Bao-An, Hirao, Hajime, Chi, Yonggui Robin
Publicado 2017

Direct Atomic‐Level Imaging of Zeolites: Oxygen, Sodium in Na‐LTA and Iron in Fe‐MFI

por Mayoral, Alvaro, Zhang, Qing, Zhou, Yi, Chen, Pengyu, Ma, Yanhang, Monji, Taro, Losch, Pit, Schmidt, Wolfgang, Schüth, Ferdi, Hirao, Hajime, Yu, Jihong, Terasaki, Osamu
Publicado 2020

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

por 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
Publicado 2019