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我系田瑞軍課題組在《自然》發表文章 國際頂級學術期刊Nature報道了南方科技大學化學系副教授田瑞軍團隊與美國Salk研究所Tony Hunter院士團隊針對胰腺癌的功能蛋白質組學研究工作。
南科大化學系譚斌團隊《科學》發表研究成果 南方科技大學化學系教授譚斌團隊在國際頂尖學術期刊《科學》(Science)上以長文的形式在線發表了論文。解決了近60年來合成化學家一直挑戰的科學難題
2018年國家杰出青年科學基金獲得者譚斌教授 近日,國家自然科學基金委員會公布2018年度國家杰出青年科學基金評審結果,南方科技大學化學系譚斌教授獲得資助。
化學系張緒穆課題組在《美國化學會志》再次發表論文 近日,我?;瘜W系講座教授張緒穆課題組再次在國際頂尖化學期刊《美國化學會志》 (J. Am. Chem. Soc., IF = 14.357)上發表論文。
化學系何鳳課題組在《Joule》上發表重要研究成果 近日,我?;瘜W系副教授何鳳課題組在聚合物太陽電池領域取得重要研究進展,該成果發表在著名國際期刊Cell 旗下姐妹刊《Joule》
何鳳課題組在《自然通訊》上發表重要研究成果 近日,我?;瘜W系副教授何鳳課題組在聚合物二維超分子自組裝領域上取得重要研究進展,該成果發表在著名國際期刊《Nature Communications》(影響因子12.124)
徐晶課題組在《德國應用化學》發表VIP論文 該論文同時被該期刊選為VIP(Very Important Paper)與封底論文(Back Cover)。恰逢中國春節,該封底設計為中國傳統窗花形式,嵌入Astellatol分子三維結構、福字和南科大Logo,充滿節日喜慶氣氛。
南科大化學系本科生在《德國應用化學》發表論文 近日,我?;瘜W系本科生陳偉豪(第一作者,我校13級本科生,2017年畢業)及陳陽(我校15級本科生)在國際頂尖化學期刊《德國應用化學》(Angew. Chem. Int. Ed.)上發表論文。

鐘龍華

副教授

化學系

0755-88018320

oscarchung@sustech.edu.cn

研究方向
多尺度多參考態模擬復雜體系(MMSCS)

鐘龍華博士(博導,獨立課題組組長),分別在00、0306年獲得香港科技大學一級榮譽學士、碩士和博士學位,師從吳云東院士,研究金屬催化有機反應機理。06-13年到京都大學福井謙一記念研究中心諸熊奎治(Keiji Morokuma)教授組,采用多尺度模擬方法研究復雜生物體系,指導東京大學研究生與諸熊研究組博士后。1310月起加入南方科技大學化學系,成立多尺度多參考態模擬復雜體系實驗室,從事研究復雜生物化學, 生物物理和有機化學體系。包括生物催化反應,光化學與光生物,可持續化學,和新模擬方法的發展及應用。同時加入生物系生物信息、系統學及定量生物學團隊。

在國外期刊上發表37SCI論文(包括1Chem. Rev. 1Acc. Chem. Res. 12J. Am. Chem. Soc. 5篇第一或通訊作者),1Wiley跨學科綜述(IF: 11.9),2Angew. Chem. Int. Ed.,1Chem. Sci.2ACS Catal)3Wiley書籍章節;3篇論文被RIKEN Research, Curr. Opin. Chem. Biol., Nature China X-MOL亮點。ISI引用超1000次,H-index: 20。

在炔烴插入反應(吳-Trost機理)、色氨酸雙加氧酶、螢火蟲發光機理和熒光蛋白等研究中,提出了新的反應機理,其中兩個反應機理被Hartwig教授的《Organotransition Metal Chemistry》教科書和Roberts教授的《Encyclopedia of Biophysics》收錄與討論。1311月被邀請到第四屆亞洲配位化學會議做邀請報告。

1. 2014

深圳市海外高層次人才“孔雀計劃” B類人才入選者

2. 2006-2010

FIFC Fellowship

3. 碩士 & 博士

Postgraduate Studentship

4. 2000

香港科技大學學業成就獎

5. 1997-2000

Swire University Scholarship

6. 1997-2000

Dean's List (Fall & Spring)

多尺度多參考態模擬復雜體系(MMSCS):

1. 生物與仿生催化反應 (機理研究以及反應設計)

2. 光化學與光生物

3. 可持續化學

4. 新模擬方法的發展及應用

5. 藥物設計


涉及到的計算方法包括: 量子力學(QM),分子力學(MM),統計力學,混合方法QM/MM,分子動力學(MD),蒙特卡羅方法(MC)等。

1. 2016-2020            孔雀團隊, 深圳市科技創新委員會

                        (核心成員, 整個團隊經費為RMB 30,000,000)

2. 2015-2016             面上項目, 國家自然科學基金

                        (PI, RMB 400,000)

3. 2015-2017             深圳市政府啟動經費

                        (PI, RMB 3,000,000)

4. 2015-                 南方科技大學啟動配套經費

                        (PI, RMB 1,000,000)

5. 2006-2010             Fukui Fellowship, Kyoto University         

                        (PI, 800,000 Yen/year)

37. Nakano, R.; Chung, L. W.; Watanabe, Y.; Okuno, Y.; Okumura, Y.; Ito, S.; Morokuma,

K.;* Nozaki, K.* “Elucidating the Key Role of Phosphine Sulfonate Ligands in

Palladium-Catalyzed Ethylene Polymerization: Effect of Ligand 3 Structure on the Molecular Weight and Linearity of Polyethylene", ACS Catal. 2016, 6, 6106. (citations: 0)

36. Chen, C.; Wang, H.; Zhang, Z.; Jin, S.; Wen, S.; Ji, J.; Chung, L W. Dong, X.-Q.; Zhang, X.“Ferrocenyl chiral bisphosphorus ligands for highly enantioselective asymmetric hydrogenation via the noncovalent ion pair interaction", Chem. Sci. 2016, DOI:  10.1039/C6SC01845A. (citations: 0)

35. Zhang, X.;* Chung, L. W.;* Wu, Y.-D.* “New Mechanistic Insights on the Selectivity of Transition Metal-catalyzed Organic Reactions: the Role of Computational Chemistry", Acc. Chem. Res. 2016, 49, 1302. (citations: 0)

34. Tan, X.; Wang, G.; Zhu, Z.; Ren, C.; Zhou, J.; Lv, H.; Zhang, X.; Chung, L. W.;* Zhang, L.;* Zhang, X.* “Hydrogenation of Aldehydes Catalyzed by an Available Ruthenium Complex", Org. Lett.. 2016, 18, 1518.

33. Xu, L.; Chung, L. W.;* Wu, Y.-D. “Mechanism of Ni-NHC Catalyzed Hydrogenolysis of Aryl Ethers: The Roles of the Excess Base", ACS Catal. 2016, 6, 483. (citations: 0)

32. Chung, L.W.; Sameera, W. M. C.; Ramozzi, R.; Page, A. J.; Hatanaka, M.; Petrova, G. P.; Harris, T. V.; Li, X.; Ke, Z.; Liu, F.; Li, H.-B.; Ding, L. Morokuma, K.*; “The ONOIM Method and its Applications”, Chem. Rev. 2015, 115, 5678. (invited for a special issue: “Calculations on Large Systems"; "Most Read Articles", May 2015). (citations: 21)

Comments from the reviewers: “This is a master pièce of a review”; “It is certainly going to be one of the most visible review in the domain of computational chemistry.”; “It's a major achievement to complete such a work.”; “this majestic review”


31. Ding, S.; Song, L.-J.; Wang, Y.; Zhang, X.;* Chung, L. W.;* Wu, Y.-D.;* Sun, J.* “Highly Regio- and Stereoselective Hydrosilylation of Internal Thioalkynes Under Mild Conditions”, Angew. Chem. Int. Ed. 2015, 54, 5632. (citations: 1)


30. Cheng, G.-J.; Zhang, X.; Chung, L. W.; Xu, L.; Wu, Y.-D.* “Computational Organic Chemistry: Bridging Theory and Experiment in Establishing the Mechanisms of Chemical Reactions", J. Am. Chem. Soc. (Perspective) 2015, 137, 1706. (citations: 24)


29. Yang, Y.; Chung, L. W.;* Zhang, X.; Houk, K. N.;* Wu, Y.-D.* “Ligand-Controlled Reactivity, Selectivity and Mechanism of Cationic Ruthenium-Catalyzed Hydrosilylations of Alkynes, Ketones and Nitriles: A Theoretical Study”, J. Org. Chem. 2014, 79, 8856.. (citations: 8)


28. Mei, G.; Yuan, H.; Gu, Y.; Chen, W.; Chung, L. W.; Li, C.-C.* “Dearomative Indole [5+2] Cycloaddition Reactions: Stereoselective Synthesis of Highly Functionalized Cyclohepta[b]indoles”, Angew. Chem. Int. Ed. 2014, 41, 11051. (citations: 9)


27. Li, X.;* Chung, L. W.; Morokuma, K.;* Li, G. “Theoretical Study on the UVR8 Photoreceptor: Sensing Ultraviolet-B by Tryptophan and Dissociation of Homodimer”, J. Chem. Theory Comput. 2014, 10, 3319. (citations: 7)


26. Ding, L.; Chung, L. W.; Morokuma, K.* “Excited-State Proton Transfer Controls Irreversibility of Photoisomerization in Mononuclear Ruthenium(II) Monoaquo Complexes: A DFT Study”, J. Chem. Theory Comput. 2014, 10, 668. (citations: 4)


25. Ding, S.; Song, L.-J.; Chung, L. W.; Zhang, X.; Sun, J.;* Wu, Y.-D.* “Ligand-Controlled Remarkable Regio- and Stereodivergence in Intermolecular Hydrosilylation of Internal Alkynes: Experimental and Theoretical Studies”, J. Am. Chem. Soc. 2013, 135, 13835. (citations: 25)

Highlighted by Nature China 2013, DOI: 10.1038/nchina.2013.93


24. Ding, L.; Chung, L. W.; Morokuma, K.* “Reaction Mechanism of Photo-induced Decarboxylation of the Photoactivatable Green Fluorescent Protein: An ONIOM(QM:MM) Study” J. Phys. Chem. 2013, 117, 1075. (citations: 12)


23. Chung, L. W.; Hirao, H.; Li, X.; Morokuma, K.* “The ONIOM Method: Its Foundation and Applications to Metalloenzymes and Photobiology”, Wiley Interdisciplinary Reviews: Comput. Mol. Sci. 2012, 2, 327. (citations: 47)


22. Tanaka, R.; Yamashita, M.; Chung, L. W.; Morokuma, K.;* Nozaki, K.* “Mechanistic Studies on the Reversible Hydrogenation of Carbon Dioxide Catalyzed by an Ir-PNP Complex” Organometallics 2011, 30, 6742. (citations: 94)


21. Chung, L. W.;* Li, X.; Hirao, H.; Morokuma, K.* “Comparative Reactivity of Ferric-Superoxo and Ferryl-Oxo Species in Heme and Non-Heme Complexes” J. Am. Chem. Soc. (Commun.) 2011, 133, 20076. (citations: 20)


20. Li, X.; Chung, L. W.;* Morokuma, K.* “Photodynamics of All-trans Retinal Protonated Schiff Base in Bacteriorhodopsin and Methanol Solution” J. Chem. Theory Comput. (Lett.) 2011, 7, 2694. (citations: 17)


19. Abdel-Azeim, S.; Li, X.; Chung, L. W.; Morokuma, K.* “Zinc–Homocysteine Binding in Cobalamin-Dependent Methionine Synthase and its Role in the Substrate Activation: DFT, ONIOM, and QM/MM Molecular Dynamics Studies” J. Comput. Chem. 2011, 32, 3154. (citations: 10)


18. Nakamura, A.; Munakata, K.; Ito, S.; Kochi, T.; Chung, L. W.; Morokuma, K.;* Nozaki, K.* “Pd-Catalyzed Copolymerization of Methyl Acrylate with Carbon Monoxide: Structures, Properties and Mechanistic Aspects toward Ligand Design” J. Am. Chem. Soc. 2011, 133, 6761. (citations: 34)


17. Li, X.; Chung, L. W.; Mizuno, H.; Miyawaki, A.; Morokuma, K.* “Competitive Mechanistic Pathways for Green-to-Red Photoconversion in the Fluorescent Protein Kaede: A Computational Study” J. Phys. Chem. B 2010, 114, 16666. (citations: 22)


16. Li, X.; Chung, L. W.; Mizuno, H.; Miyawaki, A.; Morokuma, K.* “Primary Events of Photodynamics in Reversible Photoswitching Fluorescent Protein Dronpa” J. Phys. Chem. Lett. 2010, 1, 3328. (citations: 35)


15. Nozaki, K.;* Kusumoto, S.; Noda, S.; Kochi, T.; Chung, L. W.; Morokuma, K.;* “Why Did Incorporation of Acrylonitrile to a Linear Polyethylene Become Possible? Comparison of Phosphine?Sulfonate Ligand with Diphosphine and Imine?Phenolate Ligands in the Pd-Catalyzed Ethyelene/Acrylonitrile Copolymerization” J. Am. Chem. Soc. 2010, 132, 16030. (citations: 36) [Correction: J. Am. Chem. Soc. 2012, 134, 13912]


14. Chung, L. W.; Li, X.; Sugimoto, H.; Shiro, Y.; Morokuma, K.* “ONIOM Study on a Missing Piece in Our Understanding of Heme Chemistry: Bacterial Tryptophan 2,3-Dioxygenase with Dual Oxidants” J. Am. Chem. Soc. 2010, 132, 11993. (citations: 37)

Highlighted by Curr. Opin. Chem. Biol. 2012, 16, 60:


13. Li, X.; Chung, L. W.; Mizuno, H.; Miyawaki, A.; Morokuma, K.* “A Theoretical Study on the Nature of On- and Off-States of Reversibly Photoswitching Fluorescent Protein Dronpa: Absorption, Emission, Protonation and Raman” J. Phys. Chem. B 2010, 114, 1114. (citations: 42)


12. Noda, S.; Nakamura, A.; Kochi, T.; Chung, L. W.; Morokuma, K.;* Nozaki, K.* “Mechanistic Studies on the Formation of Linear Polyethylene Chain Catalyzed by Palladium Phosphine?Sulfonate Complexes: Experiment and Theoretical Studies” J. Am. Chem. Soc. 2009, 131, 14088. (citations: 66)


11. Li, X.; Chung, L. W.; Paneth, P.; Morokuma, K.* “DFT and ONIOM(DFT:MM) Studies on Co-C Bond Cleavage and Hydrogen Transfer in B12-Dependent Methylmalonyl-CoA Mutase. Stepwise or Concerted Mechanism?” J. Am. Chem. Soc. 2009, 131, 5115. (citations: 36)


10. Chung, L. W.; Hayashi, S.; Lundberg, M.; Nakatsu, T.; Kato, H.; Morokuma, K.* “Mechanism of Efficient Firefly Bioluminescence via Adiabatic Transition State and Seam of Sloped Conical Intersection” J. Am. Chem. Soc. (Commun.) 2008, 130, 12880. (citations: 47)


9. Chung, L. W.; Li, X.; Sugimoto, H.; Shiro, Y.; Morokuma, K.* “Density Functional Theory Study on a Missing Piece in Understanding of Heme Chemistry: The Reaction Mechanism for Indoleamine 2,3-Dioxygenase and Tryptophan 2,3-Dioxygenase” J. Am. Chem. Soc. 2008, 130, 12299. (citations: 43)

Highlighted by RIKEN Research (http://www.rikenresearch.riken.jp/eng/research/5676)

Highlighted by Curr. Opin. Chem. Biol. 2012, 16, 60: 

8. Chung, L. W.; Wiest, O.; Wu, Y.-D.* “A Theoretical Study on the Trans-Addition Intramolecular Hydroacylation of 4-Alkynals Catalyzed by Cationic Rhodium Complexes” J. Org. Chem. 2008, 73, 2649. (citations: 18)


7. Zhang, X.-H.; Chung, L. W.; Lin, Z.;* Wu, Y.-D.* “A DFT Study on the Mechanism of Hydrosilylation of Unsaturated Compounds with Neutral Hydrido(hydrosilylene)Tungsten Complex” J. Org. Chem. 2008, 73, 820. (citations: 14)


6. Chung, L. W.; Lee, H. G.; Lin, Z.;* Wu, Y.-D.* “Computational Study on the Reaction Mechanism of Hydrosilylation of Carbonyls Catalyzed by High-Valent Rhenium(V)-Di-Oxo Complexes” J. Org. Chem. 2006, 71, 6000. (citations: 58)


5. Chung, L. W.; Wu, Y.-D.* “A Theoretical Study on the Intermolecular Hydroacylation of Alkyne Catalyzed by Cationic Rhodium Complex” J. Theor. Comput. Chem. 2005, 4 (Special Issue), 737. (citation: 6)


4. Chung, L. W.; Chan, T. H.; Wu, Y.-D.* “Theoretical Study of the Intrinsic Reactivities of Various Allylmetals toward Carbonyls and Water” Organometallics 2005, 24, 1598. (citation: 16)


3. Miao, W.; Chung. L. W.; Wu, Y.-D; Chan, T. H.* “Experimental and Theoretical Studies of the Propargl-Allenylindium System” J. Am. Chem. Soc. 2004, 126, 13326. (citations: 44)


2. Chung, L. W.; Wu, Y.-D.;* Trost, B. M.;* Ball, Z. T. “A Theoretical Study on the Mechanism, Regiochemistry, and Stereochemistry of Hydrosilylation Catalyzed by Cationic Ruthenium Complexes” J. Am. Chem. Soc. 2003, 125, 11578. (citations: 79)

 

1. Zhang, J. H.; Liao, J.; Cui, X.; Yu, K. B.; Zhu, J.; Deng, J. G.;* Zhu, S. F.; Wang, L. X.; Zhou, Q. L.;* Chung, L. W.; Ye, T.* “Highly Efficient and Practical Resolution of 1,1'-Spirobiindane-7,7'-Diol by Inclusion Crystallization with N-Benzylcinchonidinium Chloride” Tetrahedron: Asymmetry 2002, 13, 1363. (citations: 38)

Book Chapter:

1.   Li, X.; Chung, L. W.; Morokuma, K. Modeling Photobiology Using Quantum Mechanics (QM) and Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations,” In “Computational Methods for Large systems: Electronic Structure Approaches for Biotechnology and Nanotechnology ” Reimers, J. R. Eds. John Wiley & Sons, Inc., Hoboken, 2011, pp397-433.

2.  Chung, L. W.; Li, X.; Morokuma, K. Modeling Enzymatic Reactions in Metalloenzymes and Photobiology by Quantum Calculations (QM) and Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations,” In “Quantum Biochemistry” Matta, C. Eds. WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim, 2010, pp85-130.

3.   Wu, Y.-D.; Chung, L. W.; Zhang, X.-H. “Hydrosilylation Reactions Discovered in the Last Decade: Combined Experimental and Computational Studies on the New Mechanisms,” In: “Computational Modeling for Homogeneous and Enzymatic Catalysis” Morokuma, K.; Musaev, D. G. Eds. WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim, 2008, pp285-316.

Book Chapter:

1.   Li, X.; Chung, L. W.; Morokuma, K. Modeling Photobiology Using Quantum Mechanics (QM) and Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations,” In “Computational Methods for Large systems: Electronic Structure Approaches for Biotechnology and Nanotechnology ” Reimers, J. R. Eds. John Wiley & Sons, Inc., Hoboken, 2011, pp397-433.

2.  Chung, L. W.; Li, X.; Morokuma, K. Modeling Enzymatic Reactions in Metalloenzymes and Photobiology by Quantum Calculations (QM) and Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations,” In “Quantum Biochemistry” Matta, C. Eds. WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim, 2010, pp85-130.

3.   Wu, Y.-D.; Chung, L. W.; Zhang, X.-H. “Hydrosilylation Reactions Discovered in the Last Decade: Combined Experimental and Computational Studies on the New Mechanisms,” In: “Computational Modeling for Homogeneous and Enzymatic Catalysis” Morokuma, K.; Musaev, D. G. Eds. WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim, 2008, pp285-316.

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