Results 131 to 140 of about 107,082 (295)

Kinetic Isotope Effect in Low-Energy Collisions between Hydrogen Isotopologues and Metastable Helium Atoms: Theoretical Calculations Including the Vibrational Excitation of the Molecule. [PDF]

J Chem Theory Comput, 2021
Pawlak M, Żuchowski PS, Jankowski P.
europepmc   +1 more source

Computation‐Guided Dual‐Site Electrocatalysts for Record‐Performance Nitrite‐to‐Ammonia Conversion

Advanced Science, EarlyView.
Designing Cu doped ZnO catalysts for NO2RR via first principles calculation and boosting electrocatalytic nitrite reduction through Cu‐ZnO synergistic deoxygenation, hydrogenation, and NH3 desorption. Cu doping elevates the d‐band center of Zn, strengthening *NO2 binding and deoxygenation, while ZnO sites regulate water adsorption and dissociation ...
Hui Zhang, Haiyan Duan, Donglin Han, Zhenlin Wang, Xingchi Li, Dengchao Peng, Lupeng Han, Tianting Pang, Evangelina Pensa, Wenqiang Qu, Yongjie Shen, Haotian Wang, Wei Ren, Ming Xie, Emiliano Cortés, Dengsong Zhang   +15 more
wiley   +1 more source

Isotope and density profile effects on pedestal neoclassical transport

, 2017
Cross-field neoclassical transport of heat, particles and momentum is studied in sharp density pedestals, with a focus on isotope and profile effects, using a radially global approach.
Buller, Stefan, Pusztai, Istvan
core   +1 more source

Electronic Interaction at Cu–O–Ni Heterointerface Promotes Electrocatalytic Nitrate Reduction to Ammonia and Zinc‐Nitrate Battery

Advanced Science, EarlyView.
The strong Cu–O–Ni electronic interaction in the heterostructured catalyst can enhance the effective adsorption of NO3− and accelerate the in situ hydrolysis dissociation of the hydrogenation step. The Zn‐NO3 hybrid battery assembled with this catalyst achieves an open‐circuit voltage of 1.45 V, a peak power density of 6.47 mW cm−2, and can ...
Taozhi Lv, Lekuan Yang, Can Hong, Yihua Zhu, Jianhua Shen, Chunzhong Li   +5 more
wiley   +1 more source

Kinetic Deuterium Isotope Effects in Cytochrome P450 Reactions [PDF]

, 2017
Cytochrome P450 (P450, CYP) research provides many opportunities for the application of kinetic isotope effect (KIE) strategies. P450s collectively catalyze oxidations of more substrates than any other group of enzymes, and CH bond cleavage is a major feature in a large fraction of these reactions. The presence of a significant primary deuterium KIE is
openaire   +2 more sources

Molecular Weaving of Mixed‐Addenda Polyoxometalates into MOF Nanochannels as Electron‐Buffering Reservoirs for Enhanced Nitrate‐to‐Ammonia Electrocatalysis

Advanced Science, EarlyView.
Synergistic interaction between P2W17V1 and FeMOF owing to its efficient proton/electron transfer affording high yield and Faradaic efficiency in electrocatalytic nitrate reduction to ammonia. ABSTRACT Electrochemical conversion of nitrate pollutants into value‐added ammonia (e‐NO3RA) offers a sustainable pathway for nitrogen valorization, yet hinges ...
Gang Li, Xinming Wang, Haijun Pang, Huiyuan Ma   +3 more
wiley   +1 more source

Effect of N-methyl deuteration on metabolism and pharmacokinetics of enzalutamide

Drug Design, Development and Therapy, 2016
Jinfang Jiang,1,2,* Xuehai Pang,2,3,* Liang Li,1,2 Xiaojian Dai,1,2 Xingxing Diao,1 Xiaoyan Chen,1,2 Dafang Zhong,1,2 Yingwei Wang,2,3 Yuanwei Chen2–4 1State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of
Jiang J, Pang X, Li L, Dai X, Diao X, Chen X, Zhong D, Wang Y, Chen Y   +8 more
doaj  

Photocatalytic Asymmetric C‐C Coupling for CO2 Reduction on Cu‐Zn Bimetallic Catalysts with Dipole‐Limiting Effects

Advanced Science, EarlyView.
Asymmetric Cu–Zn dual sites on EDTA‐grafted Ti‐MOF amplify the dipole‐limiting domain field (DLDF), facilitating C–C coupling. This strategy yields an exceptional C2H4 production rate of 308.72 µmol g−1 h−1 with 98.4% electron selectivity in photocatalytic CO2 reduction, highlighting the potential of asymmetric site engineering and local field ...
Peidong Ma, Ying Yu, Fan Wen, Hongyan Guo, Boyu Li, GuoZhi Deng, Xianyang Shi, Daochuan Jiang, Ruting Huang   +8 more
wiley   +1 more source

Intramolecular Synergy of CO2 Activation and H Spillover on Heteronuclear Dual‐Metal Phthalocyanine Assemblies for Selective CO2 Photoreduction

Advanced Science, EarlyView.
The CuNiPc/BiVO4 heterojunction is designed and synthesized for selective CO2 photoreduction. The cascade interfacial Z‐scheme charge transfer and the intramolecular synergy of Cu–Ni dual sites on CO2 activation and H spillover contribute to the high photocatalytic performance and selectivity. ABSTRACT Solar‐driven CO2 conversion holds great promise in
Ye Liu, Wei Qin, Panzhe Qiao, Ziqing Zhang, Zhuo Li, Yangyang Zhu, Jianhui Sun, Zhijun Li, Fuquan Bai, Liqiang Jing, Ji Bian   +10 more
wiley   +1 more source

Sheep liver cytosolic aldehyde dehydrogenase : a fresh perspective : a thesis presented in partial fulfilment of the requirements for the degree of Master of Science in Chemistry at Massey University, New Zealand [PDF]

, 1995
The pre-steady-state mechanism of aldehyde dehydrogenase has been further investigated using synthesised deuterated 4-trans-(N,N-dimethylamino) cinnamaldehyde as a substrate.
Sime, Richard Malcolm
core