Faculty Profile

Yong Zhang

Building: McLean Hall
Room: 114
Phone: 201-216-5513
Fax: 201-216-8240
Email: yzhang37@stevens.edu
Department:  Chemistry, Chemical Biology & Biomedical Engineering
Program:  Chemistry & Chemical Biology / Chemistry

1997 Ph.D. Chemistry, Nanjing University

1993 B.S. Chemistry, Nanjing University

2007-2010 Assistant Professor Chemistry, University of Southern Mississippi

2000- 2007 Research Scientist, University of Illinois Urbana-Champaign (with Eric Oldfield)

1999-2000 Associate Professor of Chemistry (Tenured), Nanjing University


High-Accuracy Computational Chemistry

  • Structural and mechanistic investigation of metallobiomolecules involved in interactions with small molecules (HNO, NO etc) of vital importance in biomedical sciences   
  • Mechanistic investigation and catalyst development for sustainable and atom-economical catalytic reactions with high selectivities
  • Mechanistic invesitgation of metals' roles on neurodegenerative disorders and inhibitor design
  • Deciphering novel spectroscopic fingerprints of biomolecules



                 Meet my Research Group

Professional Societies

American Chemical Society, 2003-present
American Association for the Advancement of Science, 2007-present
Society of Biological Inorganic Chemistry, 2009-present
Society of Porphyrins and Phthalocyanines, 2009-present
Mississippi Academy of Sciences, 2009-2010
Chinese Chemical Society, 1999-2000

Grants, Contracts & Funds

19)6/2013-5/2016, role: PI, NSF CHE-1300912, “SusChEM: Selective C-H Functionalization by Highly Tunable Metalloporphyrin Carbenoid: A Mechanistic Investigation

18)1/2013-12/2015, role: PI, NIH 2R15GM085774-03, “HNO Interactions with Metalloproteins: Structures and Mechanisms

17)8/2014-6/2015, role: PI, Research Incentive Award, Office of the Vice Provost for Research, Stevens Institute of Technology, open grant to stimulate research

16)7/2014-6/2015, role: PI, Center for Healthcare Innovation, Stevens Institute of Technology,“Transforming Greenhouse Gas N2O into Useful Green Chemical Synthesis Material

15)6/2014-2/2015, role: co-PI, Ignition Grant Initiative, Office of the Vice Provost for Research, Stevens Institute of Technology, “Dynamically Responsive Infection-Resisting Biomaterial

14)7/2013-6/2014, role: PI, Center for Healthcare Innovation, Stevens Institute of Technology,“Reaction Mechanisms of Copper-based Fluorescent Probes for Nitric Oxide

13)8/2010-6/2012, role: PI, NIH 7R15GM085774-02, “Structure, Spectra, and Roles of Metal and Active Site in HNO Heme Protein Complex

12)7/2008-7/2010, role: PI, NIH 1R15GM085774-01, “Structure, Spectra, and Roles of Metal and Active Site in HNO Heme Protein Complex

11)5/2009-4/2010, role: PI, Aubrey Keith Lucas and Ella Ginn Lucas Endowment for Faculty Excellence Awards, University of Southern Mississippi, “Modeling the Detoxifying Enzyme Intermediates

10)7/2008-8/2008, role: PI, Summer Faculty Research Grant, University of Southern Mississippi, “Exploring the Structure of the Common Octa-Repeat Copper-Binding Site in Mammalian Prion Proteins Involved in Neurodegenerative Diseases

9)    8/2007-10/2009, role: PI, subaward from NSF EPSCoR award OIA-0556308, “Innovations through computational chemistry

8)    9/2006-9/2007, role: PI, National Computational Science Alliance (USA), Grant No. TG-MCB060084N, "Quantum Chemical Studies on NMR Hyperfine Shifts and Structures of Blue Copper Proteins"

7)    6/2004-9/2005, role: PI, National Computational Science Alliance (USA), Grant No. MCB040045N, "Ab initio Studies on 31P NMR Chemical Shifts of Biomimetic Pentacoordinate Oxyphosphoranes"

6)    11/2002-10/2003, role: PI, National Computational Science Alliance (USA), Grant No. MCB030001N, "Density Functional Studies on Paramagnetic Metalloproteins and Model Compounds"

5)    05/2001-05/2002, role: PI, National Computational Science Alliance (USA), Grant No. MCB010016N, "Density Functional Studies on Paramagnetic Heme Proteins and Models"

4)    01/2000-12/2001, role: PI, a national award from the Foundation for University Key Teachers, Ministry of Education (China). "The Design and Properties of Novel Alternated Molecular Functional Films"

3)    01/1998-12/2002, role: co-PI, State Key Project of the Fundamental Research, Ministry of Science and Technology (China), Grant No. G1998061321."Studies on the Optoelectric Functional Materials of Rare-earth Organic-Inorganic Hybrid Polymers"

2)    01/1999-12/2001, role: PI, Nanjing University Talent Development Foundation (China), "The Preparation, Electron and Energy Transfer Studies on Novel Functional Films of Coordination Compounds"

1)    06/1997-01/1999, role: PI, National Post-doctoral Science Foundation (China), Grant No. 1997[11], "Theoretical Studies on Supramolecular Systems with Special Physical, Chemical and Biological Properties"

Selected Publications
  1. Selected 28 top journal papers from 99 total peer-reviewed publications by 2015 June: 21 in J. Am. Chem. Soc., 5 in Angew. Chem. Int. Ed., 2 in Proc. Natl. Acad. Sci. U.S.A..  (See complete list, to be updated)  .
  2. Khade RL, Zhang Y*.. (2015). "Catalytic and Biocatalytic Iron Porphyrin Carbene Formation: Effects of Binding Mode, Carbene Substituent, Porphyrin Substituent, and Protein Axial Ligand.", J. Am. Chem. Soc., 137 DOI 10.1021/jacs.5b03437.
  3. Kong XQ, Terskikh VV, Khade RL, Yang L, Rorick A, Zhang Y*, He P, Huang YN, Wu G. (2015). "Solid-State 17O NMR Spectroscopy of Paramagnetic Coordination Compounds", Angew. Chem. Int. Ed., 54 4753-4757.
  4. Khade RL, Fan WC, Ling Y, Yang L, Oldfield E, Zhang Y*. (2014). "Iron Porphyrin Carbenes as Catalytic Intermediates: Structures, Mössbauer and NMR Spectroscopic Properties, and Bonding", Angew. Chem. Int. Ed., 53 7574-7578.
  5. Zhang J, Ugrinov A, Zhang Y*, Zhao PJ. (2014). "Exploring Bis-Cyclometalated Ru(II) Complexes as Active Catalyst Precursors: Room-Temperature Alkene-Alkyne Coupling for 1,3-Diene Synthesis", Angew. Chem. Int. Ed., 53 8437-8440.
  6. Span I, Wang K, Eisenreich W, Bacher A, Zhang Y, Oldfield E, Groll M. (2014). "Insights into the Binding of Pyridines to the Fe4S4 Cluster of the Enzyme IspH", J. Am. Chem. Soc., 136 7926-7932.
  7. Chakraborty S, Reed J, Ross M, Nilges MJ, Petrik ID, Ghosh S, Hammes-Schiffer S, Sage JT, Zhang Y, Schulz CE, Lu Y. (2014). "Spectroscopic and Computational Study of a Non-heme Iron-Nitrosyl Center in a Biosynthetic Model of Nitric Oxide Reductases", Angew. Chem. Int. Ed., 53 2417-2421.
  8. Li JK, Wang K, Smirnova, Khade RL, Zhang Y, Oldfield E. (2013). "Isoprenoid Biosynthesis: Ferraoxetane or Allyl Anion Mechanism for IspH Catalysis", Angew. Chem. Int. Ed, 52 6522-25.
  9. Liu YL, Guerra F, Wang K, Huang CC, Wang WX, Zhu W, Houlihan K, Li Z, Demeler B, Zhang Y, Nair S, Oldfield E. (May 29, 2012). "Structure, function and inhibition of the two- and three-domain 4Fe-4S IspG proteins", Proc. Natl. Acad. Sci. U. S. A., 109 (22), 8558-8563.
  10. Yang L, Ling Y, Zhang Y*. (2011). "HNO Binding in a Heme Protein: Structures, Spectroscopic Properties, and Stabilities", J. Am. Chem. Soc., 35 (133), 13814-13817.
  11. Wang WX, Li JK, Wang K, Huang CC, Zhang Y, Oldfield E. (2010). "Organometallic Mechanism of Action and Inhibition of the 4Fe-4S Isoprenoid Biosynthesis Protein GcpE", Proc. Natl. Acad. Sci. U. S. A., 107 (25), 11189-93.
  12. Wang K, Wang WX, No JH, Zhang YH, Zhang Y, Oldfield E. (2010). "Inhibition of the Fe4S4 Cluster-containing Protein IspH (LytB): EPR, Metallacycles and Mechanisms.", J. Am. Chem. Soc, 132 (19), 6719-6727 .
  13. Ling Y, Mills C, Weber R, Yang L, Zhang Y*. (2010). "NMR, IR/Raman, and Structural Properties in HNO and RNO (R = alkyl and aryl) Metalloporphyrins with Implications for the HNO-myoglobin Complex", J. Am. Chem. Soc., 132 (5), 1583-91.
  14. Stevenson S, Ling Y, Coumbe CE, Mackey MA, Confait BS, Phillips JP, Dorn HC, Zhang Y*. (2009). J. Am. Chem. Soc., 131 (49), 17780-82.
  15. Ling Y, Zhang Y*. (2009). "Mössbauer, NMR, Geometric, and Electronic Properties in S = 3/2 Iron Porphyrins", J. Am. Chem. Soc., 131 (18), 6386-8.
  16. Zhang Y, Oldfield E.. (2008). "NMR Hyperfine Shifts in Blue Copper Proteins: a Quantum Chemical Investigation", J. Am. Chem. Soc., 130 (12), 3814-23.
  17. Mukkamala D, Zhang Y, Oldfield E.. (2007). "A Solid State 13C NMR, Crystallographic and Quantum Chemical Investigation of Phenylalanine and Tyrosine Residues in Dipeptides and Proteins", J. Am. Chem. Soc., 129 (23), 7385-92.
  18. Kervern G, Pintacuda G, Zhang Y, Oldfield E, Roukoss C, Kuhn E, Herdtweck E, Basset JM, Cadars S, Lesage A, Coperet C, Emsley L.. (2006). "Solid-state NMR of a paramagnetic DIAD-Fe(II) catalyst: sensitivity, resolution enhancement, and structure-based assignment", J. Am. Chem. Soc., 128 (41), 13545-52.
  19. Mao J, Mukherjee S, Zhang Y, Cao R, Sanders JM, Song YC, Zhang YH, Meints GA, Gao YG, Mukkamala D, Hudock MP, Oldfield E.. "A Solid State NMR, Crystallographic and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes", J. Am. Chem. Soc., 128 (45), 14485-97.
  20. Zhang Y, Sun H, Oldfield E.. "Solid-state NMR Fermi Contact and Dipolar Shifts in Organometallic Complexes and Metalloporphyrins", J. Am. Chem. Soc., 127 (11), 3652-3.
  21. Zhang Y, Mukherjee S, Oldfield E. (2005). "67Zn NMR Chemical Shifts and Electric Field Gradients in Zinc Complexes: A Quantum Chemical Investigation", J. Am. Chem. Soc., 127 (8), 2370-1.
  22. Cheng F, Sun H, Zhang Y, Mukkamala D, Oldfield E.. (2005). "A Solid State 13C NMR, Crystallographic and Quantum Chemical Investigation of Chemical Shifts and Hydrogen Bonding in Histidine Dipeptides", J. Am. Chem. Soc., 127 (36), 12544-54.
  23. Zhang Y, Oldfield E.. (2004). "Cytochrome P450: An Investigation of the Mössbauer Spectra of a Reaction Intermediate and a Fe(IV)=O Model System", J. Am. Chem. Soc., 126 (14), 4470-1.
  24. Zhang Y, Oldfield E.. (2004). "On the Mössbauer Spectra of Isopenicillin N Synthase and a Model {FeNO}7 (S=3/2) System", J. Am. Chem. Soc., 126 (31), 9494-5.
  25. Zhang Y, Gossman W, Oldfield E.. (2003). "A Density Functional Theory Investigation of Fe-N-O Bonding in Heme Proteins and Model Systems", J. Am. Chem. Soc., 125 (52), 16387-96.
  26. Zhang Y, Mao J, Oldfield E. (2002). "57Fe Mössbauer Isomer Shifts of Heme Protein Model Systems: Electronic Structure Calculations", J. Am. Chem. Soc., 124 (26), 7829-39.
  27. Zhang Y, Mao J, Godbout N, Oldfield E.. (2002). "Mössbauer Quadrupole Splittings and Electronic Structure in Heme Proteins and Model Systems: A Density Functional Theory Investigation", J. Am. Chem. Soc., 124 (46), 13921-30.
  28. Mao J, Zhang Y, Oldfield E.. (2002). "Nuclear Magnetic Resonance Hyperfine Shifts in Paramagnetic Metalloporphyrins and Metalloproteins", J. Am. Chem. Soc., 124 (46), 13911-20.
  29. Zhang Y*, Guo ZJ, You XZ. (2001). "Hydrolysis Theory for Cisplatin and Its Analogues Based on Density Functional Studies", J. Am. Chem. Soc., 123 (38), 9378-87.
  • CH 322 Theoretical Chemistry
  • CH 421 Chemical Dynamics
  • CH 520 Advanced Physical Chemistry