Yong Wang

发表

P450 enzymes: their structure, reactivity, and selectivity-modeled by QM/MM calculations.

Yong Wang, Sason Shaik, Walter Thiel, 2010, Chemical reviews.

Theoretical and experimental investigations of the enantioselective epoxidation of olefins catalyzed by manganese complexes

Fang Wang, Jing Tian, Yong Wang, 2021, Chinese Chemical Letters.

Theoretical investigations on Rh(III)-catalyzed cross-dehydrogenative aryl-aryl coupling via C-H bond activation.

Keli Han, Yong Wang, Dan Zhao, 2015, The journal of physical chemistry. A.

Theoretical study of N-demethylation of substituted N,N-dimethylanilines by cytochrome P450: the mechanistic significance of kinetic isotope effect profiles.

S. Shaik, Keli Han, Chuanlu Yang, 2007, The journal of physical chemistry. B.

Fundamental reaction pathways for cytochrome P450-catalyzed 5'-hydroxylation and N-demethylation of nicotine.

C. Zhan, Keli Han, Yong Wang, 2010, The journal of physical chemistry. B.

Effect of external electric fields on the C-H bond activation reactivity of nonheme iron-oxo reagents.

S. Shaik, Yong Wang, Hui Chen, 2008, Journal of the American Chemical Society.

Theoretical and experimental studies of the conversion of chromopyrrolic acid to an antitumor derivative by cytochrome P450 StaP: the catalytic role of water molecules.

S. Shaik, Yong Wang, Hui Chen, 2009, Journal of the American Chemical Society.

Theoretical Study on the Structural-Function Relationship of Manganese(III)-Iodosylarene Adducts

Yong Wang, Yufen Zhao, Dongru Sun, 2020, Frontiers in Chemistry.

Reactivity Patterns of (Protonated) Compound II and Compound I of Cytochrome P450: Which is the Better Oxidant?

S. D. de Visser, Yong Wang, M. Solà, 2017, Chemistry.

A New Mechanism for Ethanol Oxidation Mediated by Cytochrome P450 2E1: Bulk Polarity of the Active Site Makes a Difference

S. Shaik, Hongming Wang, Yong Wang, 2007, Chembiochem : a European journal of chemical biology.

Transformation pathways of MeO-PBDEs catalyzed by active center of P450 enzymes: a DFT investigation employing 6-MeO-BDE-47 as a case.

Yong Wang, Jingwen Chen, Xingbao Wang, 2015, Chemosphere.

Theoretical studies unveil the unusual bonding in oxygenation reactions involving cobalt(II)-iodylarene complexes.

S. D. de Visser, Yong Wang, Yufen Zhao, 2021, Chemical communications.

Electron transfer activation of chromopyrrolic acid by cytochrome p450 en route to the formation of an antitumor indolocarbazole derivative: theory supports experiment.

S. Shaik, Yong Wang, Hui Chen, 2008, Journal of the American Chemical Society.

Tunneling Effect That Changes the Reaction Pathway from Epoxidation to Hydroxylation in the Oxidation of Cyclohexene by a Compound I Model of Cytochrome P450.

S. Fukuzumi, Yong Wang, Yong‐Min Lee, 2017, The journal of physical chemistry letters.

Tunneling E ff ect That Changes the Reaction Pathway from Epoxidation to Hydroxylation in the Oxidation of Cyclohexene by a Compound I Model of Cytochrome P 450

S. Fukuzumi, Yong Wang, Yong‐Min Lee, 2017 .

Theoretical study of the mechanism of acetaldehyde hydroxylation by compound I of CYP2E1.

Keli Han, Chuanlu Yang, Hongming Wang, 2006, The journal of physical chemistry. B.

Mutable Properties of Nonheme Iron(III)-Iodosylarene Complexes Result in the Elusive Multiple-Oxidant Mechanism.

Yong Wang, Wei Sun, Kyung‐Bin Cho, 2017, Journal of the American Chemical Society.

Structural variability in manganese(II) complexes of N,N′-bis(2-pyridinylmethylene) ethane (and propane) diamine ligands

Sason Shaik, Yong Wang, Linda J. W. Shimon, 2009 .

The directive of the protein: how does cytochrome P450 select the mechanism of dopamine formation?

Hui Chen, Yong Wang, Sason Shaik, 2011, Journal of the American Chemical Society.

Theoretical investigation on the elusive biomimetic iron(III)-iodosylarene chemistry: An unusual hydride transfer triggers the Ritter reaction

Yong Wang, Yufen Zhao, W. Nam, 2021 .

Synthesis, characterization, and reactivity of a side-on manganese(iii)-peroxo complex bearing a pentadentate aminopyridine ligand.

Yong Wang, Junyi Du, Daqian Xu, 2016, Dalton transactions.

Quantum chemical study of surface reactions of glycine on the Si(1 0 0)-2 × 1 surface

Keli Han, Y. Qu, Yong Wang, 2004 .

Experiment and Theory Reveal the Fundamental Difference between Two-State and Single-State Reactivity Patterns in Nonheme FeIV = O versus

S. Shaik, Yong Wang, Yong‐Min Lee, 2008 .

Insertion of O—H Bond of Rh(II)-methylene Carbene into Alcohols: A Stepwise Mechanism More Plausible than a Concerted Mechanism

Keli Han, Yong Wang, X. Yue, 2007 .

Spectroscopic capture and reactivity of a low-spin cobalt(IV)-oxo complex stabilized by binding redox-inactive metal ions.

Yong Wang, F. Pfaff, K. Ray, 2014, Angewandte Chemie.

Identification of a low-spin acylperoxoiron(III) intermediate in bio-inspired non-heme iron-catalysed oxidations

S. Shaik, Williamson N. Oloo, L. Que, 2014, Nature Communications.

Detoxification of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) by cytochrome P450 enzymes: A theoretical investigation.

Qingchuan Zheng, Hong-Xing Zhang, Yong Wang, 2016, Journal of inorganic biochemistry.

Proton-Promoted and Anion-Enhanced Epoxidation of Olefins by Hydrogen Peroxide in the Presence of Nonheme Manganese Catalysts.

Bin Wang, Yong Wang, Wei Sun, 2016, Journal of the American Chemical Society.

Nonheme Iron Oxidant Formed in the Presence of H2O2 and Acetic Acid Is the Cyclic Ferric Peracetate Complex, Not a Perferryloxo Complex

S. Shaik, L. Que, Keli Han, 2013 .

Experiment and theory reveal the fundamental difference between two-state and single-state reactivity patterns in nonheme Fe(IV)=O versus Ru(IV)=O oxidants.

S. Shaik, Yong Wang, Yong‐Min Lee, 2008, Angewandte Chemie.

A mechanistic switch in C−H bond activation by elusive FeV(O)(TAML) reaction intermediate: A theoretical study

Yong Wang, Yufen Zhao, Zhiqiang Fu, 2022, Chinese Journal of Chemical Physics.

Recent density functional theory model calculations of drug metabolism by cytochrome P450

Keli Han, Yong Wang, Dongmei Li, 2012 .

How Does the Oxidation State of Palladium Surfaces Affect the Reactivity and Selectivity of Direct Synthesis of Hydrogen Peroxide from Hydrogen and Oxygen Gases? A Density Functional Study.

F. Wang, S. D. de Visser, Yong Wang, 2018, Journal of the American Chemical Society.

Brønsted Acids Promote Olefin Oxidations by Bioinspired Nonheme CoIII(PhIO)(OH) Complexes: A Role for Low-Barrier Hydrogen Bonds.

Zhiyong Wu, Xuan Zhang, Yong Wang, 2023, Journal of the American Chemical Society.

The valence bond way: reactivity patterns of cytochrome P450 enzymes and synthetic analogs.

S. Shaik, Yong Wang, Hui Chen, 2010, Accounts of chemical research.

Erratum to “Quantum chemical study of surface reactions of glycine on the Si(1 0 0)-2 × 1 surface” [Surface Science 569 (2004) 12–22]

Keli Han, Y. Qu, Yong Wang, 2005 .

A DFT study of Diels-Alder reactions of o-quinone methides and various substituted ethenes: selectivity and reaction mechanism.

Keli Han, Hongming Wang, Xiaojun Peng, 2005, The Journal of organic chemistry.

Theoretical insights into the reductive metabolism of CCl4 by cytochrome P450 enzymes and the CCl4-dependent suicidal inactivation of P450.

Qingchuan Zheng, Hong-Xing Zhang, Yong Wang, 2014, Dalton transactions.

Theoretical study of iron acyl complexes modeling the active site of [Fe]-hydrogenase: Solvation effects play a significant role

Yong Wang, Yufang Liu, Zhiqiang Fu, 2015 .

Coupled electron and proton transfer in the piperidine drug metabolism pathway by the active species of cytochromes P450.

Jiali Gao, Yong Wang, Zexing Qu, 2020, Dalton transactions.

Why Can Normal Palladium Catalysts Efficiently Mediate Aerobic C-H Hydroxylation of Arylpyridines by Intercepting Aldehyde Autoxidation? A Nascent Palladium(III)-Peracid Intermediate Makes a Difference.

Jiali Gao, Yong Wang, Qiaohong Zhang, 2019, Inorganic chemistry.

A DFT study on the mechanism of the gas phase reaction of niobium with acetaldehyde

Yong Wang, Guihuan Chen, 2012 .

Systematic study on the mechanism of aldehyde oxidation to carboxylic acid by cytochrome P450

Keli Han, Yong Wang, Xiaojing Liu, 2007, JBIC Journal of Biological Inorganic Chemistry.

Quantum Mechanics/Molecular Mechanics Studies on the Relative Reactivities of Compound I and II in Cytochrome P450 Enzymes

S. D. de Visser, Yong Wang, M. Solà, 2018, International journal of molecular sciences.

The influence of the adjacent hydrogen bond on the hydroxylation processes mediated by cytochrome P450 side-chain cleavage enzyme

Yong Wang, Yufang Liu, Xiaoqian Zhang, 2014, Theoretical Chemistry Accounts.

Brain chemistry: how does P450 catalyze the O-demethylation reaction of 5-methoxytryptamine to yield serotonin?

S. Shaik, Patric Schyman, Yong Wang, 2010, The journal of physical chemistry. B.

Theoretical study of N-dealkylation of N-cyclopropyl-N-methylaniline catalyzed by cytochrome P450: insight into the origin of the regioselectivity.

Keli Han, Chuanlu Yang, Yong Wang, 2009, Dalton transactions.

Valence bond modelling and density functional theory calculations of reactivity and mechanism of cytochrome P450 enzymes: thioether sulfoxidation

S. Shaik, Yong Wang, Hui Chen, 2010 .

What factors tune the chemical equilibrium between metal-iodosylarene oxidants and high-valent metal-oxo ones?

Jiali Gao, F. Wang, Yong Wang, 2019, Physical chemistry chemical physics : PCCP.

Transformation pathways of isomeric perfluorooctanesulfonate precursors catalyzed by the active species of P450 enzymes: in silico investigation.

Yong Wang, Jingwen Chen, Zhiqiang Fu, 2015, Chemical research in toxicology.

Computational toxicological investigation on the mechanism and pathways of xenobiotics metabolized by cytochrome P450: a case of BDE-47.

Yong Wang, Jingwen Chen, Xingbao Wang, 2012, Environmental science & technology.

Hydrogen Bonding-Assisted and Nonheme Manganese-Catalyzed Remote Hydroxylation of C-H Bonds in Nitrogen-Containing Molecules.

Zhiyong Wu, Yong Wang, Yong‐Min Lee, 2023, Journal of the American Chemical Society.

The elusive active species in nickel(II)-mediated oxidations of hydrocarbons by peracids: a NiII-oxyl species, an aroyloxy radical, or a NiII-peracid complex?

Zhiyong Wu, Yong Wang, Yufen Zhao, 2023, Dalton transactions.

The fundamental role of exchange-enhanced reactivity in C-H activation by S=2 oxo iron(IV) complexes.

S. Shaik, L. Que, Patric Schyman, 2010, Angewandte Chemie.

Elusive Active Intermediates and Reaction Mechanisms of ortho-/ipso-Hydroxylation of Benzoic Acid by Hydrogen Peroxide Mediated by Bioinspired Iron(II) Catalysts.

Zhiyong Wu, Xuan Zhang, Yong Wang, 2023, Inorganic chemistry.

Theoretical Investigation on the Elusive Reaction Mechanism of Spirooxindole Formation Mediated by Cytochrome P450s: A Nascent Feasible Charge-Shift C-O Bond Makes a Difference.

Yong Wang, Yufen Zhao, Huanhuan Chen, 2021, Journal of Physical Chemistry B.