Yong Zhang Publications

Dr. Yong Zhang's Peer-reviewed Publications

2013:
  1. Li JK, Wang K, Smirnova, Khade RL, Zhang Y, Oldfield E. Angew. Chem. Int. Ed., 52, 6522-6525 (2013). Isoprenoid Biosynthesis: Ferraoxetane or
    Allyl Anion Mechanism for IspH Catalysis?
  2. Cao J, Liu LH, Fang WH, Xie ZZ, Zhang Y*. *J. Chem. Phys.*, 138134306 (2013). Photo-induced Isomerization of Ethylene-bridged Azobenzene Explored by ab initio Based Non-adiabatic Dynamics Simulation: A Comparative Investigation of the Isomerization in the Gas and Solution Phases.
  3. Zhang Y.* J. Inorg. Biochem., 118, 191-200 (2013). Computational Investigations of HNO in Biology. (Invited)
2012:
  1. Katigbak J, Zhang Y.* J. Phys. Chem. Lett., 3, 3503-3508 (2012). Iron Binding Site in a Global Regulator in Bacteria - Ferric Uptake Regulator (Fur) Protein: Structure, Mössbauer Properties, and Functional Implication.
  2. Yang L, Fang WH, Zhang Y*. Chem. Comm., 48, 3842-3844 (2012). Metal centre effects on HNO bindings in porphyrins and the electronic origin: Metal’s electronic configuration, position in the periodic table, and oxidation state.
  3. Liu YL, Guerra F, Wang K, Huang CC, Wang WX, Zhu W, Houlihan K, Li Z, Demeler B, Zhang Y, Nair S, Oldfield E. Proc. Natl. Acad. Sci. U. S. A.,  109(22), 8558-8563 (2012). Structure, function and inhibition of the two- and three-domain 4Fe-4S IspG proteins.
  4. Pinkhasova P, Yang L, Zhang Y, Sukhishvili S, Du H. Langmuir, 28, 2529-2535 (2012). Differential SERS Activity of Au and Ag Nanostructures Enabled by Adsorbed Poly(vinyl Pyrrolidone).
2011:
  1. Ganguly AK, Alluri SS, Caroccia D, Biswas D, Wang CH, Kang E, Zhang Y, McPhail AT, Carroll SS, Burlein C, Munshi V, Orth P, Strickland C. J. Med. Chem., 54(20), 7176-7183 (2011). Design, Synthesis, and X-ray Crystallographic Analysis of a Novel Class of HIV-1 Protease Inhibitors.
  2. Yang L, Ling Y, Zhang Y*. J. Am. Chem. Soc., 133(35), 13814-13817 (2011). HNO Binding in a Heme Protein: Structures, Spectroscopic Properties, and Stabilities.
  3. Liu L, Yuan S, Fang WH, Zhang Y*. J. Phys. Chem. A, 115(35), 10027-10034 (2011). Probing highly efficient photoisomerization of a bridged azobenzene by a combination of CASPT2//CASSCF calculation with semiclassical dynamics simulation.
  4. Fu R, Gupta R, Wang SM, Geng JF, Donervil K, Zhang Y, Hendrich MP, Liu AM. J. Biol. Chem., 286(30), 26541-26554. Enzyme Reactivation by Hydrogen Peroxide in Heme-based Tryptophan Dioxygenase.
  5. Ling Y, Stevenson S, Zhang Y*. Chem. Phys. Lett., 508, 121-124 (2011). Metallic nitride azafullerenes: A novel class of fullerenes with interesting electronic properties.
  6. Walton I, Davis M, Yang L, Zhang Y, Tilman D, Jarrett WL, Huggins MT, Wallace KJ. Magn. Res. Chem., 49, 205-212 (2011). Conformational and Configurational Analysis of an N, N Carbonyl Dipyrrinone-derived Oximate and Nitrone by NMR and Quantum Chemical Calculations.
  7. Ling Y, Khade RL, Zhang Y*. J. Phys. Chem. B, 115(11), 2663-2670 (2011). Structural, EPR Superhyperfine, and NMR Hyperfine Properties of the Cu-octarepeat Binding Site in the Prion Protein.
2010
  1. Ling Y, Davidson VL, Zhang Y*. J. Phys. Chem. Lett., 1(19), 2936-2939 (2010). Unprecedented Fe(IV) Species in a Diheme Protein MauG: A Quantum Chemical Investigation on the Unusual Mössbauer Spectroscopic Properties.
  2. Kumar A, Moody L, Olaivar, JF, Lewis NA, Khade RL, Holder AA, Zhang Y, Rangachari, V. ACS Chem. Neurosci., 1(10), 691-701 (2010). Inhibition of Aβ42 peptide aggregation by a mixed-metal binuclear ruthenium(II)-platinum(II) complex: Potential for multi-metal organometallics as anti-amyloid agents.
  3. Wang WX, Li JK, Wang K, Huang CC, Zhang Y, Oldfield E. Proc. Natl. Acad. Sci. U. S. A., 107(25), 11189-11193 (2010). Organometallic Mechanism of Action and Inhibition of the 4Fe-4S Isoprenoid Biosynthesis Protein GcpE.
  4. Ling Y, Zhang Y*. Ann. Rep. Comput. Chem., Wheeler, R. A., Ed. Elsevier: New York 6,65-77(2010). Deciphering Structural Fingerprints for Metalloproteins with Quantum Chemical Calculations.
  5. Wang K, Wang WX, No JH, Zhang YH, Zhang Y, Oldfield E. J. Am. Chem. Soc.,  132(19), 6719-6727 (2010). Inhibition of the Fe4S4 Cluster-containing Protein IspH (LytB): EPR, Metallacycles and Mechanisms.
  6. Ling Y, Mills C, Weber R, Yang L, Zhang Y*. J. Am. Chem. Soc., 132(5), 1583-1591 (2010). NMR, IR/Raman, and Structural Properties in HNO and RNO (R = alkyl and aryl) Metalloporphyrins with Implications for the HNO-myoglobin Complex.
  7. Sharma AK, Ling Y, Greer AB, Hafler DA, Kent SC, Zhang Y*, Rigby AC. J. Phys. Chem. B, 114(1), 585-591 (2010). Evaluating the Intrinsic Cysteine Redox-dependent States of the A-chain of Human Insulin using NMR Spectroscopy, Quantum Chemical Calculations and Mass Spectrometry.
2009
  1. Stevenson S, Ling Y,  Coumbe CE, Mackey MA, Confait BS, Phillips JP, Dorn HC, Zhang Y*. J. Am. Chem. Soc., 131(49), 17780-17782 (2009). Preferential Encapsulation and Stability of La3N Cluster in 80 Atom Cages:  Experimental Synthesis and Computational Investigation of La3N@C79N.
  2. Ling Y, Zhang Y*. J. Am. Chem. Soc., 131(18), 6386-6388 (2009). Mössbauer, NMR, Geometric, and Electronic Properties in S = 3/2 Iron Porphyrins.
  3. Ling Y, Zhang Y*. J. Phys. Chem. A, (cover art), 113(20), 5993-5997 (2009). Deciphering the NMR Fingerprints of the Disordered System with Quantum Chemical Studies.
  4. Balof SL, Yu B, Lowe AB, Ling Y, Zhang Y, Schanz S. Eur. J. Inorg. Chem., 1717-1722 (2009). Ru-Based Olefin Metathesis Catalysts Bearing pH-Responsive N-Heterocyclic Carbene (NHC) Ligands: Activity Control via Degree of Protonation.
2008:
  1. Zhang Y, Oldfield E. J. Am. Chem. Soc., 130(12), 3814-3823 (2008). NMR Hyperfine Shifts in Blue Copper Proteins: a Quantum Chemical Investigation.
2007
  1. Mukkamala D, Zhang Y, Oldfield E. J. Am. Chem. Soc., 129(23), 7385-7392 (2007). A Solid State 13C NMR, Crystallographic and Quantum Chemical Investigation of Phenylalanine and Tyrosine Residues in Dipeptides and Proteins.
2006:
  1. Kervern G, Pintacuda G, Zhang Y, Oldfield E, Roukoss C, Kuhn E, Herdtweck E, Basset JM, Cadars S, Lesage A, Coperet C, Emsley L. J. Am. Chem. Soc., 128(41), 13545-13552 (2006). Solid-state NMR of a paramagnetic DIAD-Fe(II) catalyst: sensitivity, resolution enhancement, and structure-based assignment.
  2. Mao J, Mukherjee S, Zhang Y, Cao R, Sanders JM, Song YC, Zhang YH, Meints GA, Gao YG, Mukkamala D, Hudock MP, Oldfield E. J. Am. Chem. Soc., 128(45), 14485-14497 (2006). A Solid State NMR, Crystallographic and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes.
  3. Zhang Y, Lewis JC, Bergman RG, Ellman JA, Oldfield E. Organometallics, 25(14), 3515-3519 (2006). NMR Shifts, Orbitals, and M…H-X in d8 Square Planar Metal Complexes.
  4. Zhang Y, Oldfield E. J. Phys. Chem. B, 110(1), 579-586 (2006). 31P NMR Chemical Shifts in Hypervalent Oxyphosphoranes and Polymeric Orthophosphates.
2005
  1. Zhang Y, Sun H, Oldfield E. J. Am. Chem. Soc., 127(11), 3652-3653 (2005). Solid-state NMR Fermi Contact and Dipolar Shifts in Organometallic Complexes and Metalloporphyrins.
  2. Zhang Y, Mukherjee S, Oldfield E. J. Am. Chem. Soc., 127(8), 2370-2371 (2005). 67Zn NMR Chemical Shifts and Electric Field Gradients in Zinc Complexes: A Quantum Chemical Investigation.
  3. Cheng F, Sun H, Zhang Y, Mukkamala D, Oldfield E. J. Am. Chem. Soc., 127(36), 12544-12554 (2005). A Solid State 13C NMR, Crystallographic and Quantum Chemical Investigation of Chemical Shifts and Hydrogen Bonding in Histidine Dipeptides.
2004
  1. Zhang Y, Oldfield E. J. Am. Chem. Soc., 126(14), 4470-4471 (2004). Cytochrome P450: An Investigation of the Mössbauer Spectra of a Reaction Intermediate and a Fe(IV)=O Model System.
  2. Zhang Y, Oldfield E. J. Am. Chem. Soc., 126(31), 9494-9495 (2004). On the Mössbauer Spectra of Isopenicillin N Synthase and a Model {FeNO}7 (S=3/2) System.
  3. Zhang Y, Oldfield E. J. Phys. Chem. B., 108(50), 19533-19540 (2004). Solid-state 31P NMR Chemical Shielding Tensors in Phosphonates and Bisphosphonates: A Quantum Chemical Investigation.
2003
  1. Zhang Y, Gossman W, Oldfield E. J. Am. Chem. Soc., 125(52), 16387-16396 (2003). A Density Functional Theory Investigation of Fe-N-O Bonding in Heme Proteins and Model Systems.
  2. Zhang Y, Oldfield E. J. Phys. Chem. B, 107(29), 7180-7188 (2003). An Investigation of the Unusual 57Fe Mössbauer Quadrupole Splittings and Isomer Shifts in 2 and 3-Coordinate Fe(II) Complexes.
  3. Zhang Y, Oldfield E. J. Phys. Chem. A, 107(20), 4147-4150 (2003). 57Fe Mössbauer Quadrupole Splittings and Isomer Shifts in Spin-Crossover Complexes: A Density Functional Theory Investigation.
  4. Xia J, Shi Y, Zhang Y*, Miao Q, Tang W. Inorg. Chem., 42(1), 70-77 (2003). Deprotonation of Zinc(II)-Water and Zinc(II)-Alcohol and Nucleophilicity of the Resultant Zinc(II) Hydroxide and Zinc(II) Alkoxide in Double-Functionalized Complexes: Theoretical Studies on Models for Hydrolytic Zinc Enzymes.
  5. Shi YJ, Chen SJ, Huang B, Chen XT, Zhang Y, You XZ. J. Mol. Struct., 650(1-3), 27-32 (2003). The Preparation, Crystal Structure and Properties of a Mixed-ligand Copper(I) Complex [CuI(PPh3)(DPPZ)]×DMF.
2002
  1. Zhang Y, Mao J, Oldfield E. J. Am. Chem. Soc., 124(26), 7829-7839 (2002). 57Fe Mössbauer Isomer Shifts of Heme Protein Model Systems: Electronic Structure Calculations.
  2. Zhang Y, Mao J, Godbout N, Oldfield E. J. Am. Chem. Soc., 124(46), 13921-13930 (2002). Mössbauer Quadrupole Splittings and Electronic Structure in Heme Proteins and Model Systems:  A Density Functional Theory Investigation.
  3. Mao J, Zhang Y, Oldfield E. J. Am. Chem. Soc., 124(46), 13911-13920 (2002). Nuclear Magnetic Resonance Hyperfine Shifts in Paramagnetic Metalloporphyrins and Metalloproteins.
  4. Shi YJ, Chen XT, Cai CX, Zhang Y, Xue ZL, You XZ, Peng SM, Lee GH. Inorg. Chem. Commun., 5(8), 621-624 (2002). Synthesis and Crystal Structure of a Novel 2-D Hybrid Compound [(PbBr2)2(m-Pyz)]n (Pyz = pyrazine).
2001
  1. Zhang Y*, Guo ZJ, You XZ. J. Am. Chem. Soc., 123(38), 9378-9387 (2001). Hydrolysis Theory for Cisplatin and Its Analogues Based on Density Functional Studies.
  2. Zhang Y*, You XZ. J. Comput. Chem., 22(3), 327-338 (2001). Charge Redistribution Effect on the Properties of Charge Transfer Complexes HnR×XY and HnR×X2 (X,Y= F, Cl, Br, I; R= O, S, N, P).
  3. Zhang Y*, Shi YJ, Huang B, Lu ZH, You XZ. Mater. Chem. Phys., 69(1-3), 210-217 (2001). A Quantitative Substituent Effect on the Second-Order Hyperpolarizabilities of Polymers Based on the Quantum Chemical Studies.
  4. Shi YJ, Xu Y, Zhang Y*, Huang B, Zhu DR, Jin CM, Zhu HG, Yu Z, Chen XT, You XZ. Chem. Lett., 7, 678-679 (2001). Self-assembly and X-ray Structure Determination of the Novel 2-D Layered Organic-inorganic Hybrid Pb-X Compound: [PbX2(4,4'-bipy)]n (X = I, Br).
  5. Zhang KL, Xu Y, Zheng CG, Zhang Y, Wang Z, You XZ. Inorg. Chim. Acta, 318(1-2), 61-66 (2001). A Linear Polymer Manganese(III) Complex: Synthesis, Crystal and Molecular Structure and Magnetic Properties of Catena-mu-acetato-[N,N'-O-phenylenebis(salicylideneaminato)]-manganese(III).
  6. Zhang KL, Xu Y, Song Y, Zhang Y, Wang Z, You XZ. J. Mol. Struct., 570(1-3), 137-143 (2001). Synthesis, Crystal and Molecular Structure and Magnetic Properties of [Mn(saloph)(N3-)(CH3OH)].
  7. Zhang JY, Liu Q, Xu Y, Zhang Y, You XZ, Guo, ZJ. Acta Cryst., C57(1), 109-110 (2001). N-(8-Quinolyl)pyridine-2-carboxamide.
  8. Zeng XR, Zhang Y, You XZ. Acta Physico-Chimica Sinica, 17(4), 361-363 (2001). Substituent Effect of the Peroxyoxalate Chemiluminescence.
2000:
  1. Zhang Y*, Zeng XR, You XZ. J. Chem. Phys., 113(18), 7731-7734 (2000). A New Complete Basis Set Model (CBS-QB3) Study on the Possible Intermediates in Chemiluminescence.
  2. Xu Y, Xu JQ, Zhang KL, Zhang Y, You XZ. Chem. Comm., 153-154 (2000). Keggin Unit Supported Transition Metal Complexes: Hydrothermal Synthesis and Characterization of [Ni(2,2’-bipy)3]1.5[PW12O40Ni(2-2’-bipy)2(H2O)]×0.5H2O and [Co(1,10’-phen)3]1.5[Pmo12O40Co(1,10’-phen)2(H2O)]×0.5H2O.
  3. Zhu XL, You XZ, Zhang Y, Yu Z, Guo SL. Chem. Phys., 253, 241-248 (2000). An Improved Calculation Method on Optical Second-order Susceptibilities of Organic Materials.
  4. Zhu XL, You XZ, Zhang Y. Chem. Phys., 254, 287-296 (2000). A Novel Approach to Calculation of the Second-order Nonlinear Susceptibility of Organic Crystals Based on Energy-band Theory.
  5. Zhu XH, Chen XF, Zhang Y, You XZ, Tan WL, Ji W, Vittal JJ, Tan GK, Kennard HL. New J. Chem., 24, 419-423 (2000). Crystal Structures, Molecular Packing and Picosecond Optical Limiting Properties of Quadridentate Schiff-base Divalent Metal Complexes ML [M = Cu, Ni, Pd and Zn] Derived from S-benzyl Dithiocarbazate.
  6. Zhang Y*, Lu ZH. Mater. Chem. Phys., 63, 188-195 (2000). A Multi-component Molecular Material Design Study on the Correlation of Electronic Properties and Proton Transfer in N-salicylideneaniline Derivatives.
  7. Zhu DR, Song Y, Xu Y, Zhang Y, Raj SSS, Fun HK, You XZ. Polyhedron, 19(18-19), 2019-2025 (2000). Syntheses, Crystal Structures, and Properties of the Novel Co(II) and Ni(II) Complexes with 4-(p-methylphenyl)-3,5-bis(pyridin-2-yl)-1,2,4-triazole.
  8. Zhu DR, Song Y, Liu YJ, Xu Y, Zhang Y*, You XZ, Raj SSS, Fun HK. Trans. Met. Chem., 25(5), 589-593 (2000). Syntheses, Crystal Structures and Spectroscopic Properties of the Novel Complexs [M(MOBPT)2(H2O)2](ClO4)×4H2O (M=CoII, NiII) (MOBPT=4-(p-methoxyphenyl)-3,5-bis(pyridin-2-yl)-1,2,4-triazole).
  9. Zhu DR, Xu Y, Zhang Y, Wang TW, You XZ. Acta Cryst., C56, 895-896 (2000). 4-Phenyl-3,5-bis(2-pyridyl)-4H-1,2,4-triazole.
  10. Zhu DR, Xu Y, Liu YJ, Song Y, Zhang Y*, You XZ. Acta Cryst., C56, 242-243 (2000). 4-[(4-Hydroxybenzylidene)amino]-1,2,4-triazole Hemihydrate.
  11. Guo SL, Zhang Y, You XZ, Min NB. Chin. Phys. Lett., 17(6), 448-450 (2000). Thermal Expansion Study of CsNiCl3 by EPR and Optical Absorption Spectra.
  12. Shao SC, Zhu DR, Wang TW, Zhang Y*, Raj SSS, Fun HK. Chin. Chem. Lett., 11, 93-94 (2000). Synthesis and Crystal Structure of [NiL2(H2O)2](ClO4)2 L=MBPT=4-p-methylphenyl-3,5-bis(pyridin-2-yl)-1,2,4-triazole.
1999
  1. Shen Z, Zuo JL, Yu Z, Zhang Y, Bai JF, Chi CM, Fun HK, Vittal JJ, You XZ. J. Chem. Soc., Dalton Trans., 3393-3397 (1999). Crystal Structures and Magnetic Properties of Two Alternating Azide-bridged Complexes:  [{M(dmbpy)(N3)2}n] (M = Mn or Cu; dmbpy = 4,4’-dimethyl-2,2’-bipyridine).
  2. Zhang Y*, Lu ZH. J. Mol. Struct. (Theochem), 467, 233-241 (1999). Post-saturation Nonlinear Optical Properties of Polymers.
  3. Zhang Y*, You XZ. J. Chem. Res. (s), 156-157 (1999). Theoretical Study on Metalloporphyrins with Large Second-order Hyperpolarizabilities.
  4. Zhang Y*, Lu ZH. Mater. Chem. Phys., 57, 253-259 (1999). A Theoretical Study on N,N’-disalicylidene-p-phenylenediamine (BSP) for the Multi-component Material Design.
  5. Zhu XH, Chen XF, Zhang Y, You XZ, Tan WL. Chem. Lett., 1211-1212 (1999). Nanosecond and Picosecond Optical Limiting Properties of a Square-planar Complex CuL2 [HL=p-nitrobenzaldehyde S-benzyl Dithiocarbazate].
1998
  1. Suo ZY, Wei XW, Zhou KY, Zhang Y, Li CD, Xu Z. J. Chem. Soc., Dalton Trans., 3875-3878 (1998). New Charge Transfer Complexes from Dicyanodihydrofullerene and Metallocene.
  2. Zhang Y*, Zhao CY, Fang WH, Lu ZH. J. Mol. Struct. (Theochem), 454, 31-40 (1998). High Accuracy Study of the Ground and Transition States for SiC2.
  3. Zhao CY, Duan WS, Zhang Y, You XZ. J. Chem. Res. (s), 156-157 (1998). Correlation of 13C-H Coupling Constants JC-H and Bond Angles and Bond Force Angles in Strained Organic Molecules.
1997
  1. Zhang Y, Zhao CY, You XZ. J. Phys. Chem. A, 101, 2879-2885 (1997). Systematic Study On Structures and Bondings of the Charge-Transfer Complexes of Ammonia With HX, XY and X2 (X and Y Are Halogens).
  2. Zhao CY, Zhang Y, You XZ. J. Phys. Chem. A, 101, 5174-5182 (1997). Theoretical Evaluation of Strain, Bent Bonds and Bonding Behavior of Strained Organic Molecules.
  3. Zhang Y, Zhao CY, Fang WH, You XZ. Theor. Chem. Acc., 96, 129-134 (1997). A Molecular Design View on the First Hyperpolarizability of Salicylideneaniline Derivatives.
  4. Zhang Y, Zhao CY, You XZ. Chin. Chem. Lett., 8, 323-326 (1997). Theoretical Study on the Structures, Vibrational Spectra, and the Nature of the Intermediate Hydrogen Bond of Schiff Bases.
1996
  1. You XZ, Zhang Y. ²Conducting Metallic Complexes², In Advances in Transition Metal Complexes, Vol. 1, pp. 239-286, JAI Press, London, 1996. (Invited)
  2. Zhao CY, Zhang Y, Fang WH, You XZ. J. Mol. Struct. (Theochem), 367, 73-82 (1996). A Theoretical Study On the Hyperpolarizabilities of Dicyanovinyl and Tri-cyanovinyl Substituted Benzenes, Stilbenes, Styrenes and Azobenzenes.
  3. Zhang KL, Zhong ZJ, Zhang Y, You XZ. Polyhedron, 15, 1859-1864 (1996). Synthesis, Structure and Magnetic Properties of Dinuclear Oxamidato-Bridged Copper(II) Complexes.
  4. Zhou XG, Ma HZ, Wu ZZ, You XZ, Yu Z, Zhang Y, Huang XY. Acta Cryst., C52, 1875-1877 (1996). Benzophenone Adduct of Tris(cyclopentadienyl) Dysprosium.
  5. Zhao CY, Zhang Y, Fang WH, You XZ. Chin. J. Chem., 14, 393-398 (1996). Semiempirical Prediction of the Hyperpolarizabilities for Cyanovinyl-substituted Donor-acceptor Molecules.
1995
  1. Li LF, Zhang Y, You XZ. J. Chem. Inf. Comput. Sci., 35, 697-700 (1995). Molecular Topological Index and Its Application 4. Relationships with the Diamagnetic Susceptibilities of Alkyl-IVA Group Organometallic Halides.
  2. Fang WH, Zhang Y, You XZ. J. Mol. Struct. (Theochem), 334, 81-89 (1995). Theoretical Studies on Proton Transfer Processes of Schiff Bases.
  3. Zhang Y, Li LF, You XZ, Sun YM. Chin. Chem. Lett., 6, 633-636 (1995). Band Electronic Structures of Synthetic Metal Bisdithiolene Derivatives.
1994
  1. Zhang Y, Li LF, You XZ. Magn. Res. Chem., 32, 36-39 (1994). Nuclear Quadrupole Coupling Constants of Halogenated Hydrocarbons and Their Relation to the Natural Hybrid Orbitals.