导师简介
姓名：陈世稆
职称：教授, 博士生导师
电子邮件：shlchen@bit.edu.cn
主要经历:
2012/07 – 至今，北京理工大学，化学学院，教授；
2010/10 – 2012/07，北京理工大学，化学学院，副教授；
2009/04 – 2010/09，瑞典斯得哥尔摩大学，物理系，博士后；
2005/11 – 2009/02，瑞典皇家工学院，生物技术学院，“生物技术”博士；
2004/09 – 2008/01，北京师范大学，化学学院，“物理化学”博士；
2001/09 – 2004/07，北京师范大学，化学系，“分析化学”硕士；
1997/09 – 2001/07，北京师范大学，化学系，“化学教育”学士
研究方向：生物酶催化反应机理的理论研究
主要研究兴趣在计算生物学方面，尤其是金属酶的催化反应机理。运用理论化学手段，主要是密度泛函理论（DFT）方法，研究各种金属酶的催化反应机理。研究对象包括多种过渡金属酶，如含镍金属酶(Methyl-Coenzyme M Reductase, CO dehydrogenase 等 ), 维 生 素 B12 依 赖 酶 (methionine synthase 和 Methylmalonyl-CoA mutase), 血 红 素 依 赖 酶 (chlorite mutase) ， 双 锌 酶 (Phosphotriesterase, Glyoxalase II, alkaline phosphatase, and Aminopeptidase from Aeromonas proteolytica), 等等。
承担课题：
主持了 3 项国家自然科学基金项目。参加一项科技部 973 项目课题。
入选 2015 年北京市科技新星计划。
获奖情况：
2009年，获得中国国家留学基金管理委员会颁发的“2008年度国家优秀自费留学生奖”。
2011 年，获北京理工大学 2010 年度“优秀青年教师”奖。
发表论文：
Cui-Lan Lan and Shi-Lu Chen*, The Decarboxylation of α,β-Unsaturated Acid Catalyzed by Prenylated FMN-Dependent Ferulic Acid Decarboxylase and the Enzyme Inhibition, The Journal of Organic Chemistry, 2016, 81(19), 9289–9295.
Jian-Nan Ji and Shi-Lu Chen*, μ3-Oxo stabilized by three metal cations is a sufficient nucleophile for enzymatic hydrolysis of phosphate monoesters, Dalton Trans., 2016, 45, 2517–2522.
Qun Liu, Ze-Sheng Li, and Shi-Lu Chen*, Metal-Embedded Graphene as Potential Counter Electrode for Dye-Sensitized Solar Cell, Ind. Eng. Chem. Res., 2016, 55 (2), 455–462.
Shi Tang*, You-Lin Deng, Jie Li, Wen-Xin Wang, Ying-Chun Wang, Zeng-Zeng Li, Li Yuan, Shi-Lu
Chen*, and Rui-Long Sheng, Aerobic oxidative cyclization of benzamides via meta-selective C–H tert-alkylation: rapid entry to 7-alkylated isoquinolinediones, Chem. Commun., 2016, 52, 4470-4473.
Rong-Zhen Liao*, Shi-Lu Chen, Per E. M. Siegbahn, Unraveling the Mechanism and Regioselectivity of the B12-Dependent Reductive Dehalogenase PceA, Chemistry - A European Journal, 2016, 22(35), 12391–12399.
Hai-Mei Zhang and Shi-Lu Chen*, Include Dispersion in Quantum Chemical Modeling of Enzymatic Reactions: The Case of Isoaspartyl Dipeptidase, J. Chem. Theory Comput., 2015, 11(6), 2525-2535.
Bo Zou, Liang Hao, Lin-Yuan Fan, Zhi-Ming Gao, Shi-Lu Chen*, Hui Li*, Chang-Wen Hu*, Highly efficient conversion of CO2 at atmospheric pressure to cyclic carbonates with in situ-generated homogeneous catalysts from a copper-containing coordination polymer, Journal of Catalysis, 2015, 329, 119-129.
Shi-Lu Chen*, Chemical Empiricism 2.0 at Age of Big Data: Large-scale Prediction of Reaction Pathways Based on Bond Dissociation Energies, Chinese J. Chem. Phys., 2015, 28(6), 674–680.
Nan Guo, Jin-Yi Zhong*, Shi-Lu Chen*, Jing-Quan Liu, Qi Min, Rui-Xue Shi, Experimental and theoretical studies of hydrolysis of nerve agent sarin by binuclear zinc biomimetic catalysts, Chemical Physics, 2015, 457, 70-77.
Li-Na Yang, Shi-Lu Chen*, Ze-Sheng Li*, How does the silicon element perform in JD-dyes: a theoretical investigation, J. Mater. Chem. A, 2015, 3, 8308–8315.
Xiaopeng Wang, Lixia Wang, Fei Zhao, Chuangang Hu, Yang Zhao, Zhipan Zhang*, Shilu
Chen*, Gaoquan Shi and Liangti Qu*, Monoatomic-thick graphitic carbon nitride dots on graphene sheets as an efficient catalyst in the oxygen reduction reaction, Nanoscale, 2015, 7, 3035–3042.
Li-Na Yang, Hong-Yan Zhou, Ping-Ping Sun, Shi-Lu Chen*, Ze-Sheng Li*, A Promising Candidate with D-A-A-A Architecture as an Efficient Sensitizer for Dye-Sensitized Solar Cells, ChemPhysChem, 2015, 16, 601–606.
Rong-Zhen Liao*, Shi-Lu Chen, Per E. M. Siegbahn, Which Oxidation State Initiates Dehalogenation in the B12-Dependent Enzyme NpRdhA: CoII, CoI, or Co0, ACS Catalysis, 2015, 5, 7350–7358.
Xiaoyu Ma, Bo Zou, Minhua Cao*, Shi-Lu Chen*, Changwen Hu*, Nitrogen-doped porous carbon monolith as a highly efficient catalyst for CO2 conversion, J. Mater. Chem. A, 2014, 2,
18360–18366.
Shi-Lu Chen*, Margareta R. A. Blomberg, Per E. M. Siegbahn*, An Investigation of Possible Competing Mechanisms for Ni-containing Methyl-Coenzyme M Reductase, Phys. Chem. Chem. Phys., 2014, 16, 14029-14035.
Li-Na Yang, Zhu-Zhu Sun, Quan-Song Li, Shi-Lu Chen*, Ze-Sheng Li*, Thomas A. Niehaus, Unsymmetrical Squaraine Dye Containing Dithieno[3,2-b:2′,3′-d]pyrrole as a π-spacer: a Potential Photosensitizer for Dye-Sensitized Solar Cells, Journal of Power Sources, 2014, 268, 137-145.
Shi-Lu Chen*, Rong-Zhen Liao*, Phosphate Monoester Hydrolysis by Trinuclear Alkaline Phosphatase; DFT Study of Transition States and Reaction Mechanism, ChemPhysChem, 2014, 15, 2321–2330.
Ying-Nan Chi, Pan-Pan Shen, Feng-Yun Cui, Zheng-Guo Lin, Shi-Lu Chen*, Chang-Wen Hu*, Symmetry Breaking of α-[H2W12O40]6- Depends on the Transformation of Isopolyoxotungstates, Inorg. Chem., 2014, 53, 5029–5036.
Shuo Sun, Ze-Sheng Li, Shi-Lu Chen*, A dominant homolytic O–Cl bond cleavage with low-spin triplet-state Fe(IV)=O formed is revealed in the mechanism of heme-dependent chlorite dismutase, Dalton Transactions, 2014, 43, 973-981.
Li-Na Yang, Zhu-Zhu Sun, Shi-Lu Chen*, Ze-Sheng Li*, Iodinated AlIII-Based Phthalocyanines are Promising Sensitizers for Dye-Sensitized Solar Cells; A Theoretical Comparison Between ZnII, MgII, and AlIII-Based Phthalocyanine Sensitizers, ChemPhysChem, 2014, 15, 458-466.
Shi-Lu Chen, Li-Na Yang, Ze-Sheng Li*, How to design more efficient organic dyes for dye-sensitized solar cells? Adding more sp2-hybridized nitrogen in the triphenylamine donor, Journal of Power Sources, 2013, 223, 86-93.
Li-Na Yang, Zhu-Zhu Sun, Shi-Lu Chen*, Ze-Sheng Li*, The effects of various anchoring groups on optical and electronic properties of dyes in dye-sensitized solar cells, Dyes and Pigments, 2013, 99, 29-35.
Shi-Lu Chen*, M. R. A. Blomberg, P. E. M. Siegbahn*, How Is Methane Formed and Oxidized
Reversibly When Catalyzed by Ni-Containing Methyl-Coenzyme M Reductase?, Chemistry - A European Journal, 2012, 18(20), 6309-6315.
Fawang Chen, Xiaofang Li, Bo Wang, Tiegang Xu, Shi-Lu Chen*, Peng Liu*, Changwen Hu*, Mechanism of the cycloaddition of carbon dioxide and epoxides catalyzed by Co-substituted 12-tungstenphosphate, Chemistry - A European Journal, 2012, 18(32), 9870-9876.
Shi-Lu Chen*, Ze-Sheng Li, Wei-Hai Fang*, Theoretical investigation of astacin proteolysis,
Journal of Inorganic Biochemistry, 2012, 111, 70-79.
Shi-Lu Chen*, M. R. A. Blomberg, P. E. M. Siegbahn*, How Is a Co-Methyl Intermediate Formed in the Reaction of Cobalamin-Dependent Methionine Synthase? Theoretical Evidence for a Two-Step Methyl Cation Transfer Mechanism, J. Phys. Chem. B, 2011, 115(14), 4066-4077.
Yue-Jie Ai, Rong-Zhen Liao, Shi-Lu Chen, Wei-Jie Hua, Wei-Hai Fang*, and Yi Luo*, Repair of DNA Dewar Photoproduct to (6-4) Photoproduct in (6-4) Photolyase, J. Phys. Chem. B, 2011, 115(37), 10976-10982.
P. E. M. Siegbahn*, M. R. A. Blomberg, Shi-Lu Chen, Significant van der Waals Effects in Transition Metal Complexes, J. Chem. Theory Comput., 2010, 6(7), 2040-2044.
Shi-Lu Chen*, V. Pelmenschikov, M. R. A. Blomberg, P. E. M. Siegbahn*, Is There a Ni-Methyl Intermediate in the Mechanism of Methyl-Coenzyme M Reductase, J. Am. Chem. Soc., 2009, 131(29), 9912-9913.
Shi-Lu Chen, Wei-Hai Fang*, Fahmi Himo*, Reaction Mechanism of the Binuclear Zinc Enzyme Glyoxalase II – A Theoretical Study, Journal of Inorganic Biochemistry, 2009, 103, 274-281.
Shilu Chen, Wei-Hai Fang*, Insights into photodissociation dynamics of acetaldehyde from ab initio calculations and molecular dynamics simulations, J. Chem. Phys., 2009, 131(5), 054306.
Shi-Lu Chen, Tiziana Marino, Wei-Hai Fang, Nino Russo*, Fahmi Himo*, Peptide Hydrolysis by the Binuclear Zinc Enzyme Aminopeptidase from Aeromonas proteolytica: A Density
Functional Theory Study, J. Phys. Chem. B, 2008, 112(8), 2494-2500.
Shi-Lu Chen, Wei-Hai Fang, Fahmi Himo*, Technical Aspects of Quantum Chemical Modeling of Enzymatic Reactions: the Case of Phosphotriesterase, Theoretical Chemistry Accounts, 2008, 120, 515-522.
Jungwook Kim, Ping-Chuan Tsai, Shi-Lu Chen, Fahmi Himo*, Steven C. Almo*, Frank M. Raushel*, Structure of Diethyl Phosphate Bound to the Binuclear Metal Center of Phosphotriesterase, Biochemistry, 2008, 47(36), 9497-9504.
Shi-Lu Chen, Wei-Hai Fang, Fahmi Himo*, Theoretical Study of the Phosphotriesterase Reaction Mechanism, J. Phys. Chem. B, 2007, 111(6), 1253-1255.
Shi-Lu Chen, Wei-Hai Fang*, Insights into Mechanistic Photodissociation of Acetyl Chloride by ab Initio Calculations and Molecular Dynamics Simulations, J. Phys. Chem. A, 2007, 111(38), 9355-9361.
Shi-Lv Chen, Wei-Hai Fang*, Insights into Photodissociation Dynamics of Propionyl Chloride from ab Initio Calculations and Molecular Dynamics Simulations, J. Phys. Chem. A, 2006, 110(3), 944-950.
Shi-Lv Chen, Fen Ding, Yu Liu, Hui-Chun Zhao*, Electrochemiluminescence of Terbium (III)-Two Fluoroquinolones- Sodium Sulfite System in Aqueous Solution, Spectrochimica Acta Part A, 2006, 64, 130-135.
Shi-Lv Chen, Yu Liu, Hui-Chun Zhao*, Lin-Pei Jin, Zhong-Lun Zhang, Yan-Zhen Zheng, Determination of Norfloxacin Using a Terbium-Sensitized Electrogenerated Chemiluminescence Method, Luminescence, 2006, 21, 20-25.
Shilv Chen, Huichun Zhao*, Xiaoli Wang, Xia Li, Linpei Jin, Determination of Trivalent Europium Using Flow Injection Chemiluminescence Method, Analytica Chimica Acta, 2004, 506, 25-29.
Shilv Chen, Hongwu Ma, Huichun Zhao*, Ruiqing Feng, Linpei Jin, Terbium Sensitized Fluorescence Method for the Determination of Pazufloxacin Mesilate and Its Application, Analytical Sciences, 2004, 20, 1075-1078.
Shi-Lu Chen, Hui-Chun Zhao*, Chun-Yan Sun, Ning Lian, and Lin-Pei Jin, A Study on Terbium Sensitized Chemiluminescence of Pipemidic Acid and Its Application, Analytical Letters, 2002, 35(10), 1705-1714.
