个人简历

1995年9月—1999年7月，安徽大学，学士，应用物理专业；\r
1999年9月—2002年7月，河南师范大学，硕士，原子与分子物理专业；\r
2002年9月—2007年5月，大连化学物理研究所，博士，物理化学专业；\r
2007年6月—2009年9月，以色列耶路撒冷希伯来大学（Hebrew University of Jerusalem），博士后，计算化学专业；\r
2009年9月—至今，大连化学物理研究所，副研究员，项目骨干；\r
2011年10月-2011年10月，香港大学访问学者；\r
2014年9月—2014年9月，新加坡南洋理工大学访问学者；\r
2011年10月—至今，香港“Global Science Press”出版社发行的《Communications in Computational Chemistry》杂志执行编辑（Managing Editor）

研究领域

"""""一、羰基合成\r
基于一氧化碳/二氧化碳的催化羰化反应；\r
基于甲醛、甲醇的催化羰化反应；\r
非传统羰源的羰基合成反应研究。\r
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二、选择氧化\r
低碳烃的选择氧化和定向转化；\r
仿生催化选择氧化；\r
新型选择氧化反应研究。"

近期论文

X. B. Wang, J. W. Chen, Y. Wang, H. B. Xie, Z. Q. Fu, Transformation pathways of MeO-PBDEs catalyzed by active center of P450 enzymes: A DFT investigation employing 6-MeO-BDE-47 as a case, Chemosphere, 2015, 120, 631.\r
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X. Q. Zhang, Y. F. Liu*, Y. Wang*, The influence of the adjacent hydrogen bond on the hydroxylation processes mediated by cytochrome P450 side-chain cleavage enzyme. Theor. Chem. Acc. 2014. 133, 1485.\r
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S. Hong, F. F. Pfaff, E. Kwon, Y. Wang, M.S. Seo, E. Bill, K. Ray, W. Nam, Spectroscopic Capture and Reactivity of a Low-Spin Cobalt(IV)-Oxo Complex Stabilized by Binding Redox-Inactive Metal Ions, Angew. Chem. Int. Ed. 2014, 53, 10403.\r
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X. X. Li, Q. C. Zheng*, Y. Wang*, H. X. Zhang, Theoretical insights into the reductive metabolism of CCl4 by cytochrome P450 enzymes and the CCl4-dependent suicidal inactivation of P450, Dalton Trans. 2014, 43, 14833.\r
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W. N. Oloo, K. K. Meier, Y. Wang, S. Shaik, E. Munck, L, Que, Jr., Identification of a low-spin acylperoxoiron(III) intermediate in bio-inspired non-heme iron-catalysed oxidations, Nat. Commun. 2014, 5, 3046.\r
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Y. Wang*, D. Janardanan, D. Usharani, K. L. Han, L. Que, Jr.*, S. Shaik*, Nonheme Iron Oxidant Formed in the Presence of H2O2 and Acetic Acid Is the Cyclic Ferric Peracetate Complex, Not a Perferryloxo Complex, ACS Catal. 2013, 3, 1334.\r
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D. M. Li, Y. Wang, K. L. Han, Recent density functional theory model calculations of drug metabolism by cytochrome P450, Coord. Chem. Rev. 2012, 256, 1137.\r
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X. B. Wang, Y. Wang, J. W. Chen, Y. Q. Ma, J. Zhou, Z. Q. Fu, Computational Toxicological Investigation on the Mechanism and Pathways of Xenobiotics Metabolized by Cytochrome P450: A Case of BDE-47, Environ. Sci. Technol. 2012, 46, 5126.\r
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P. Schyman, W. Z. Lai, H. Chen, Y. Wang, S. Shaik, The Directive of the Protein: How Does Cytochrome P450 Select the Mechanism of Dopamine Formation? J. Am. Chem. Soc. 2011, 133, 7977.\r
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S. Shaik, S. Cohen, Y. Wang, H. Chen, D. Kumar, W. Thiel, P450 Enzymes: Their Structure, Reactivity and Selectivity, Modeled by QM/MM Calculations, Chem. Rev. 2010, 110, 949.\r
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S. Shaik, W. Z. Lai, H. Chen, Y. Wang, The Valence Bond Way: Reactivity Patterns of Cytochrome P450 Enzymes and Synthetic Analogs, Acc. Chem. Res. 2010, 43, 1154.\r
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J. Deepa, Y. Wang, P. Schyman, L. Que, Jr., S. Shaik, Fundamental Role of Exchange- Enhanced Reactivity in C-H Activation in S=2 Oxoiron(IV) Complexes, Angew. Chem. Int. Ed. 2010, 49, 3342.\r
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Y. Wang, D. M. Li, K. L. Han, S. Shaik, An Acyl Group Makes a Difference in the Reactivity Patterns of Cytochrome P450 Catalyzed N-Demethylation of Substituted N,N-Dimethylbenzamides—High Spin Selective Reactions, J. Phys. Chem. B 2010, 114, 2964.\r
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D. M. Li, Y. Wang, K. L. Han, C. G. Zhan, Fundamental Reaction Pathways for Cytochrome P450-Catalyzed 5'-Hydroxylation and N-Demethylation of Nicotine, J. Phys. Chem. B 2010, 114, 9023.\r
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P. Schyman, D. Usharani, Y. Wang, S. Shaik, Brain Chemistry: How Does P450 Catalyze the O-Demethylation Reaction of 5-Methoxytryptamine to Yield Serotonin? J. Phys. Chem. B 2010, 114, 7078.\r
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Y. Wang, H. Chen, M. Makino, Y. Shiro, S. Nagano, S. Asamizu, H. Onaka, S. Shaik, Theoretical and Experimental Studies of the Conversion of Chromopyrrolic Acid to an Antitumor Derivative by Cytochrome P450 StaP: The Catalytic Role of Water Molecules, J. Am. Chem. Soc. 2009, 131, 6748.\r
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S. Shaik, Y. Wang, H. Chen, J. S. Song, R. Meir, Valence Bond Modelling and Density Functional Theory Calculations of Reactivity and Mechanism of Cytochrome P450 Enzymes: Thioether Sulfoxidation, Faraday Discuss. 2009, 145, 49.\r
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Y. Wang, Y. Wang, K. L. Han, Theoretical study of cyclohexane hydroxylation by three possible isomers of [FeIV(O)(R-TPEN)]2+: does the pentadentate ligand wrapping around the metal center differently lead to the different stability and reactivity? J. Biol. Inorg. Chem. 2009, 13, 553.\r
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D. M. Li, Y. Wang, C. L. Yang, K. L. Han, Theoretical study of N-dealkylation of N-cyclopropyl-N-methylaniline catalyzed by cytochrome P450: insight into the origin of the regioselectivity, Dalton Trans., 2009, 291.\r
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I. I. Ebralidze, G. Leitus, L. J. W. Shimon, Y. Wang, S. Shaik, R. Neumann, Structural variability in manganese(II) complexes of N,N'-bis(2-pyridinylmethylene) ethane (and propane) diamine ligands, Inorg. Chim. Acta 2009, 362, 4713.