Selected Publications

Coggins, M. K.; Toledo, S.; Shaffer, E.; Kaminsky, W.; Shearer, J.; Kovacs, J. A. “Characterization and Dioxygen Reactivity of a New Series of Coordinatively Unsaturated Thiolate-Ligated Manganese(II) Complexes,”  Inorg. Chem. 2012, 51, 0000 (in press).

Coggins, M. K.; *Kovacs, J. A. “Structural and Spectroscopic Characterization of Metastable Thiolate-Ligated Manganese(III)-Alkylperoxo Species,” J. Am. Chem. Soc. 2011, 133, 12470-12473.

Villar-Acevedo, G.; Nam, E.; Fitch, S.; Benedict, J.; Freudenthal, J.; Kaminsky, W.; *Kovacs, J. A. "Influence of Thiolate Ligands on Reductive N-O Bond Activation. Probing the O 2 - Binding Site of a Biomimetic SOR Analogue, and Examining the Proton-Dependent Reduction of Nitrite," J. Am. Chem. Soc. 2011, 133, 1419-1427.

Swartz, R. D.; Coggins, M. K.; Kaminsky, W.; *Kovacs, J. A. "Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues.   Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates," J. Am. Chem. Soc. 2011, 133, 3954-3963.  

Nam, E.; Alokolaro, P. E.; Swartz, R. D.; Gleaves, M. C.; Pikul, J. and *Kovacs, J. A. " An Investigation of the Mechanism of Formation of a Thiolate-Ligated Fe(III)-OOH ," Inorg. Chem. 2011, 50, 1592-1602 .

Sun, N.; Dey, A.; Villar-Acevedo, G.;   *Kovacs, J. A. *Darensbourg, M. Y.; *Hodgson, K. O.; *Hedman, B.; *Solomon, E. I. " S K-edge XAS and DFT Studies of High and Low Spin {FeNO} 7 Thiolate Complexes: Exchange Stabilization of Electron Delocalization in {FeNO}7 and {FeO2}8 ," Inorg. Chem. 2011,  50, 427-436.

Lugo-Mas,P.; Taylor, W.; Schweitzer, W.; Theisen, R. M.; Xu, L.; Shearer, J.; Swartz, R. D.; Gleaves, M. C.; DiPasquale, A.; Kaminsky, W.; and *Kovacs, J. A. " Properties of Square-Pyramidal Alkyl-Thiolate Fe(III)-Complexes, Including an Analogue of the Unmodified Form of Nitrile Hydratase ," Inorg. Chem. 2008 , 47 , 11228-11236.

Brines, L. M.; Villar-Acevedo, G.; Kitagawa, T.; Swartz, R. D.; Lugo-Mas, P.; Kaminsky, W.; Benedict, J. B.; and *Kovacs, J. A. "Comparison of Structurally-Related Alkoxide, Amine, and Thiolate-Ligated M II (M= Fe, Co) Complexes:   the Influence of Thiolates on the Properties of Biologically Relevant Metal Complexes," Inorg. Chim. Acta . 2008 361, 1070-1078.   ( special issue in honor of Ed Solomon ).

Brines, L. M.; Shearer, J.; Fender, J. K.; Schweitzer, D.; Shoner, S. C.; Barnhart, D.; Kaminsky, W.; Lovell, S.; *Kovacs, J. A. "Periodic Trends within a Series of Five Coordinate, Thiolate–Ligated [MII(SMe2N4(tren))]+ (M = Mn, Fe, Co, Ni, Cu, Zn) Complexes, Including a Rare Example of a Stable Cu(II)-Thiolate," Inorg. Chem. 2007, 46, 9267-9277. (view article) DOI: 10.1021/ic701433p

*Kovacs, J. A.; Brines, L. M. "Understanding How the Cysteinate Contributes to the Function of the Non-Heme Iron Enzyme Superoxide Reductase," Acc. Chem. Res. 2007 40 , 501-509. (view article)

Brines, L. M.; *Kovacs, J. A. " Understanding the Mechanism of Superoxide Reductase (SOR), " Eur. J. Inorg. Chem.  2007 , 29-38. (invited "Microreview " ). (view article)

Kitagawa, T.; Dey, A.; Lugo-Mas, P.; *Solomon, E. I.; *Kovacs, J. A. "A Functional Model for the Cysteinate-Ligated Non-Heme Iron Enzyme Superoxide Reductase (SOR)," J. Am. Chem. Soc. 2006 , 128, 14448-14449. (view article)

Lugo-Mas, P.; Dey, A.; Xu, L.; Davin, S. D.; Benedict, J.; Kaminsky, W.; *Hodgson, K. O.; *Hedman, B.; *Solomon, E. I.; *Kovacs, J. A. "How Does Single Oxygen Atom Addition Affect the Properties of an Fe-Nitrile Hydratase Analogue? The Compensatory Role of the Unmodified Thiolate," J. Am. Chem. Soc. 2006, 128, 11211-11221. (view article)

Dey, A.; Chow, M.; Taniguchi, K.; Lugo-Mas, P.; Davin, S. D.; Maeda, M.; *Kovacs, J. A.; *Odaka, M.; *Hedman, B.; *Hodgson, K. O.; *Solomon, E. I. " S K-edge XAS and DFT Calculations on Nitrile Hydratase: Geometric and Electronic Structure of the Non-Heme Iron Active Site," J. Am. Chem. Soc. 2006 , 128, 533-541. (view article)

Theisen, R. M. ; *Kovacs, J. A. "The Role of Protons in Superoxide Reduction by a Superoxide Reductase Analogue." Inorg. Chem. 2005, 44, 1169-1171. (view article)

Kennepohl, P.; Neese, F.; Schweitzer, D.; Jackson, H. L.; *Kovacs, J. A; *Solomon, E. I. "Spectroscopy of Non-Heme Iron Thiolate Complexes: Insight into the Electronic Structure of the Low-Spin Active Site of Nitrile Hydratase " Inorg. Chem. 2005, 44, 1826-1836. . (view article)

Theisen, R. M. ; Shearer, J.; Kaminsky W.; *Kovacs, J. A. "Steric and Electronic Control Over the Reactivity of a Thiolate-Ligated Fe(II) Complex with Dioxygen and Superoxide.   Reversible mu -oxo Dimer Formation " Inorg. Chem. 2004, 43 , 7682-7690. (view article).

Chohan, B. S.; Shoner, S. C.; Kovacs, J. A.; Day, R. O.; Maroney, M. J. "Ligand Oxidations in High-Spin Nickel Thiolate Complexes and Zinc Analogues," Inorg. Chem. 2004, 43 , 7726-7734. (view article).

*Kovacs, J. A "Cysteinate-Ligated Non-Heme Iron and Non-Corrinoid Cobalt Enzymes" Chem. Rev. 2004, 104, 825-848. (special thematic issue on Biomimetic Inorganic Chemistry; view article).

Fitch,S.; Theisen, R.; Shearer, J.; Kitagawa, T.; *Scarrow, R.; and *Kovacs, J. A. "Understanding the Mechanism of Superoxide Reduction by the Non-Heme Iron Enzyme Superoxide Reductase (SOR) using a Synthetic Analogue Approach" J. Inorg. Biochem, 2003, 96, 23 (Proceedings of the 11th International Conf. on Bioinorganic Chemistry).

Shearer, J.; Kaminsky, W.; Kovacs,* J. A. "Chloride Contained in a Cobalt "Claw": [Co3II(DADIT)3](Cl)(PF6)2," Acta. Cryst., C59, 2003, m379-m380..

*Kovacs, J. A. "How Iron Activates O2 " Science, 2003, 299,1024-1025. (view article)

Shearer, J.; Fitch, S. B.; Kaminsky, W.; Scarrow, R. C.; *Kovacs, J. A. "How Does Cyanide Inhibit Superoxide Reductase? Insight from Synthetic FeIIIN4S Model Complexes" Proc. Natl. Acad. of Sci. U.S.A., 2003, 100, 3671–3676 (Special Feature issue on Bioinorganic Chemistry) (view article).

Shearer, J.; *Kovacs, J. A. "Nitrile Hydratase: An Unusual Fe—Containing Hydrolytic Enzyme," in Encyclopedia of Catalysis; I. T. Horvath, Ed.; Wiley Interscience: NY, NY, 2003; Vol. 5; pp 289-297.

Shearer, J.; Scarrow, R. C.; and Kovacs*, J. A. "Models For The Non-Heme Cysteinate-Ligated Iron Enzyme Superoxide Reductase: Observation and Structural Characterization By XAS of an FeIII-OOH Intermediate" " J. Am. Chem. Soc. 2002, 124, 11709-11717. (view article)

Shearer, J.; Jackson, H. L; .Schweitzer, D.; Rittenberg, D. K.; Leavy, T. M;. Kaminsky, W.; Scarrow*, R. C. and *Kovacs, J. A. "The First Example of a Nitrile Hydratase Model Complex that Reversibly Binds Nitriles. " J. Am. Chem. Soc. 2002, 124, 11417–11428. (view article)

Schweitzer, D.; Shearer, J.; Rittenberg, D.; Ellison, J. J.; Shoner, S. C.; Loloee, R.; Lovell, S. C.; Barnhart, D. *Kovacs, J. A. "Enhancing Reactivity via Structural Distortion," Inorg. Chem. 2002, 41, 3128–3136. (view article)

Shearer, J.; Lai, J.; Jacobs, D. L;. *Kovacs, J. A. "Preparation and Properties of [NiII(BEES)(Cl)](BPh4): A NiII Complex in a Mixed Nitrogen/Thioether Coordination Environment" Inorg. Chim. Acta. 2002, 336, 61-64.

Shearer, J.; Jackson, H. L.; Schweitzer, D.; Leavy, T. M.; Kaminsky, W.; Scarrow, R. and *Kovacs, J. A."Examining the Influence of Thiolate Sulfurs on the Reactvity Properties of Cysteinate-Ligated Non-Heme Iron Active Sites," J. Inorg. Biochem. 2001, 86, 64 (Proceedings of the 10th International Conf. on Bioinorganic Chemistry).

Shearer, J.; Nehring, J.; Kaminsky, W.; *Kovacs, J. A "Modeling the Reactivity of Superoxide Reducing Metalloenzymes With a Nitrogen and Sulfur Coordinated Iron Complex.." Inorg. Chem. 2001, 40, 5483-5484. (view article)

Jackson, H. L.; Shoner, S. L.; Cowen, J. A.; Lovell, S.; Barnhart, D.; *Kovacs, J. A. "Probing the Influence of Local Coordination Environment on the Properties of Fe—Type Nitrile Hydratase Model Complexes," Inorg. Chem. 2001, 40, 1646–1653. (view article)

Shearer, J.; Kung, I. Y.; Lovell, S.; *Kovacs, J. A. "Why is There an "Inert" Metal Center in the Active—Site of Nitrile Hydratase? Reactivity and Ligand Dissociation From a Five Coordinate Co(III) Nitrile Hydratase Model." J. Am. Chem. Soc. 2001, 123, 463-468. (view article)

Shearer, J.; Kung, I. Y.; Lovell, S.; *Kovacs, J. A. "A Co(III) Complex in a Mixed Sulfur/Nitrogen Ligand Environment: Modeling the Substrate— and Product—Bound Forms of the Metalloenzyme Thiocyanate Hydrolase." Inorg. Chem., 2000, 39, 4998-4999. (view article)

Wang, H.; Ralston, C. Y.; Patil, D. S.; Jones, R. M.; Gu, W.; Verhagen, M.; Adams, M.; Ge, P.; Riordan, C.; Marganian, C. A.; Mascharak, P.; Kovacs, J.; Miller, C. G.; Collins, T. J.; Brooker, S.; Croucher, P. D.; Wang, K.; Stiefel, E. I.; and Cramer*, S. P. "Nickel L-Edge Soft X-ray Spectroscopy of Nickel-Iron Hydrogenases and Model Compounds-Evidence for High-Spin Nickel(II) in the Active Enzyme." J. Am. Chem. Soc. 2000, 122, 10544 -10552.

Kung, I.; Schweitzer, D.; Shearer, J.; Taylor, W. D.; Jackson, H. L.; Lovell, S.; *Kovacs, J. A. "How Do Oxidized Thiolate Ligands Affect the Electronic and Reactivity Properties of a Nitrile Hydratase Model Compound?" J. Am. Chem. Soc. 2000, 122, 8299—8300. (view article)

Schweitzer, D.; Taylor W. D.; *Kovacs, J. A. "Synthetic Models of the Active Site of Nitrile Hydratase," J. of Inorganic Biochemistry, 1999, 74, 291

Schweitzer, Dirk; Ellison, Jeffrey J.; Shoner, Steven C. ; Lovell, Scott ; and *Kovacs, Julie A. "A Synthetic Model for the NO—Inactivated Form of Nitrile Hydratase," J. Am. Chem. Soc. 1998, 120, 10996—10997. (view article)

Steven C. Shoner, Andrew Nienstedt, Jeffrey J. Ellison, Irene Kung, David Barnhart, and *Julie A. Kovacs, "Structural Comparison of Thiolate—Ligated MII= FeII, CoII, NiII, and ZnII Ions Wrapped in a Chiral Helical Ligand," Inorg. Chem., 1998, 37, 5721—5726. (view article)

*Scarrow, Robert C.; Strickler, Brent; Ellison, Jeffrey J.; Shoner, Steven C.; *Kovacs, Julie A.; Cummings, John G.; *Nelson, Mark J., "X-ray Spectroscopy of Nitric Oxide Binding to Iron in Inactive Nitrile Hydratase and a Synthetic Model Compound." J. Am. Chem. Soc. 1998, 120, 9237—9245. (view article)

Ellison, Jeffrey J; Nienstedt, Andrew; Shoner, Steven C.; Barnhart, David; Cowen, Jerry A.; *Kovacs, J. A. Five—Coordinate Models for the Thiolate-Ligated Fe Site of Nitrile Hydratase," J. Am. Chem. Soc 1998, 120, 5691—5700. (view article)

Cha, M.; Sletten, J.; Critchlow, S.C.; Kovacs J.A., "Synthesis and Structure of a Thiolate-Ligated Ni Cluster Which Contains an Unusual Thiolate Bridging Mode and an Exposed Ni Site." Inorg. Chim. Acta., 1997, 263, 153—159.

Shoner, S.; Humphreys, K. J.; Barnhart, D.; Kovacs J.A., "A Model for the Interaction of Alcohol with the Zinc Thiolate Site of Alcohol Dehydrogenase," Inorg. Chem. 1995, 34, 5933-5934.

Kovacs, J. A.; Shoner, S. C.; Ellison, J. J., "Metal-Carbon Bonds in Nature," Science 1995, 270, 587-588. (view article)

Shoner, S.; Barnhart, D.; Kovacs J.A., "A Model for the Low-Spin, Non-Heme, Thiolate-Ligated Fe Site of Nitrile Hydratase," Inorg. Chem. 1995, 34, 4517-4518.

Shoner, S.; Olmstead, M.; Kovacs J.A. "Synthesis and Structure of a Water Soluble Five-Coordinate Nickel Alkyl Thiolate Complex," Inorg. Chem., 1994, 33, 7-8.

Sletten, J.; Kovacs J.A. "Structure of trans-[dichlorobis(triphenylphosphine) Nickel(II)]•2CH2Cl2," J. Crystallographic and Spectroscopic Research, 1993, 23, 239-241.

Cha, M.; Critchlow, S.C.; Gatlin, C.L.; Kovacs J.A., "Probing the Influence of Local Coordination Environment on Ligand Binding in Ni Hydrogenase Model Complexes" Inorg. Chem., 1993, 32, 5868-5877.

Cha, M.; Shoner, S.; Kovacs J.A., "Nickel-Promoted Reductive C-S Bond Cleavage: A Reactivity Model for the First Step in the Reaction Promoted by Methyl Coenzyme M Reductase," Inorg. Chem., 1993, 32, 1860-1863.

J.A. Kovacs "Understanding the Role of Ni in Ni-containing Enzymes," Advances in Inorganic Biochem; G.L. Eichhorn and L.G. Marzilli, Eds.; Prentice-Hall: Englewood Cliffs, NJ, 1993; vol. 9; Chapter 5, pp. 173-201.

Lindahl, P.A.; Kovacs J.A. "Reactivities and Biological Functions of Iron-Sulfur Clusters," J. Cluster Sci., 1990, 1, 29-73.

Kovacs, J. A.; Bergman, R. G., "Synthesis and Reactivity of the First Structurally Characterized Heterobimetallic Complex Containing an Unsupported Sulfur Atom Bridge," J. Am. Chem. Soc. 1989, 111, 1131—1133.

Carney, M. J.; Kovacs, J. A.; Zhang, Y.-P.; Papaefthymiou, G. C.; Spartalian, K.; Frankel, R. B.; Holm, R. H., "Comparative Electronic Properties of Vanadium-Iron-Sulfur and Molybdenum Iron-Sulfur Clusters Containing Isoelectronic Cubane Type [VFe3S4]2+ and [MoFe3S4]3+ Cores," Inorg. Chem. 1987, 26, 719-724.

Kovacs, J. A., Holm, R. H., "Structural Chemistry of Vanadium-Iron-Sulfur Clusters Containing the Cubane-Type [VFe3S4]2+ Core," Inorg. Chem. 1987, 26, 711-718.

Kovacs, J. A.; Holm, R. H., "Heterometallic Clusters: Synthesis and Reactions of Vanadium-Iron-Sulfur Single- and Double-Cubane Clusters, and the Structure of [V2Fe6S8Cl4(C2H4S2) 2]4-," Inorg. Chem., 1987, 26, 702.

Kovacs, Julie A. and *Holm, Richard H. "Assembly of Vanadium-Iron-Sulfur Cubane Clusters from Mononuclear and Linear Trinuclear Reactants," J. Am. Chem. Soc. , 1986, (108), 340.

Bose, K. S., Lamberty, P. E., Kovacs, Julie A., Sinn, E., and Averill, B. A.; Synthesis of a New Class of Mo-Fe-S Clusters Containing the MoS₂Fe₂ Unit; Polyhedron 1986, 5, 393.

Kovacs, Julie A., Bashkin, J. K., and *Holm, Richard H.; Persulfide-Bridged Iron-Molybdenum-Sulfur Clusters of Biological Relevance: Two Synthetic Routes and the Structures of Intermediate and Product Clusters; J. Am. Chem. Soc. 1985, 107, 1784.

page authored by J. Kovacs