Julie A. Kovacs

Representative 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, 6633-6644.


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.  DOI: 10.1021/ja205520u

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.  DOI: 10.1021/ja108749f

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 O2– Binding Site of a Biomimetic SOR Analogue, and Examining the Proton-Dependent Reduction of Nitrite,” J. Am. Chem. Soc. 2011, 133, 1419-1427.  Highlighted on “JACS Select” website as a “recent significant publication.”  DOI: 10.1021/ja107551u

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.  DOI: 10.1021/ic1006378

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.  DOI: 10.1021/ic101776m

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.  DOI: 10.1021/ic801704n


Brines, L. M.; *Kovacs, J. A. “Understanding the Mechanism of Superoxide Reductase (SOR),” Eur. J. Inorg. Chem. 2007, 29-38. DOI: 10.1002/ejic.200600461

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.  DOI: 10.1021/ar600059h

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.  DOI: 10.1021/ja064870d

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.


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. DOI: 10.1021/ja0549695.


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. DOI: 10.1021/ic0487068.


Theisen, R. M.; *Kovacs, J. A. "The Role of Protons in Superoxide Reduction by a Superoxide Reductase Analogue." Inorg. Chem. 2005,44, 1169-1171. DOI: 10.1021/ic048818z


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 m-oxo Dimer Formation " Inorg. Chem. 2004, 43, 7682–7690. DOI: 10.1021/ic0491884.


*Kovacs, J. A. "Dioxygen Activation by Non–Heme Fe–Enzymes"; Science, 2003, 299, 1024–1025.  DOI: 10.1126/science.1081792


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. DOI: 10.1073/pnas.0637029100.


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. DOI: 10.1021/ja012722b


Shearer, J.; Jackson, H. L.; Rittenberg, D.; Leavy, T.; *Scarrow, R. C.; *Kovacs, J. A. " The First Example of a Nitrile Hydratase Model Complex that Reversibly Binds Nitriles." J. Am. Chem. Soc. 2002, 124, 11417-11428. DOI: 10.1021/ja012555f.


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. DOI: 10.1021/ic0109187.


Shearer, J.; Nehring, J.; Kaminsky, W.; *Kovacs, J. A "Modeling the Reactivity Properties of Superoxide Reducing Metalloenzymes With a Nitrogen and Sulfur Coordinated Iron Complex." Inorg. Chem. 2001, 40, 5483-5484. DOI: 10.1021/ic010221l.


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. DOI: 10.1021/ic001271d.


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. DOI: 10.1021/ja002642s.


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. DOI: 10.1021/ic0005689.


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. DOI: 10.1021/ja0017561.


Shoner, S. C.; Nienstedt, A.; Ellison, J. J.; Kung, I.; Barnhart, D.; *Kovacs, J. A. “Structural Comparison of Thiolate–Ligated M(II)= Fe(II), Co(II), Ni(II), and Zn(II) Ions Wrapped in a Chiral Helical Ligand,” Inorg. Chem., 1998, 37, 5721–5726. DOI: 10.1021/ic980882r.


*Scarrow, R. C.; Strickler, B.; Ellison, J. J.; Shoner, S. C.; *Kovacs,J.A.; Cummings, J. G.;  *Nelson, M. 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. DOI: 10.1021/ja973291t.


Schweitzer, D.; Ellison, J. J.; Shoner, S. C. ; Lovell, S. ; and *Kovacs, J. A. "A Synthetic Model for the NO–Inactivated Form of Nitrile Hydratase," J. Am. Chem. Soc. 1998, 120, 10996–10997. DOI: 10.1021/ja981117e.


Ellison, J. J; Nienstedt, A.; Shoner, S. C.; Barnhart, D.; Cowen, J. A.; *Kovacs, J. A. "Reactivity of Five–Coordinate Models for the Thiolate-Ligated Fe Site of Nitrile Hydratase," J. Am. Chem. Soc 1998, 120, 5691–5700. DOI: 10.1021/ja973129q.


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. DOI: 10.1021/ic00128a002

*Kovacs, J. A.; Shoner, S. C.; Ellison, J. J., “Metal-Carbon Bonds in Nature,” Science 1995, 270, 587-588. DOI: 10.1126/science.270.5236.587


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.  DOI: 10.1021/ic00122a001

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Awards & Activities

  • Vice-Chair of the “Metals in Biology” Gordon Research Conference (2007)
  • Member of the organizing committee for the 15th International Conference on Biological Inorganic Chemistry (ICBIC), Vancouver, B. C. (August, 2011)
  • Ad Hoc Member of NIH Macromolecular Structure and Function (MSF-A) Study Section (Feb, 2005)
  • Organizer and Chair of the "Non–heme Iron Chemistry in Biology" symposium to be held at the 227th American Chemical Society Meeting in Anaheim (March 2004)
  • Editorial Advisory Board of "Journal of Biological Inogranic Chemistry" (1/1/04-12/31/07)
  • Ad Hoc Member of NIH Metallobiochemistry (BMT) Study Section (Oct. 2003)
  • Organizer of the first Ronald Breslow Award Symposium, held at the 225th ACS meeting in New Orleans (Mar. 2003)
  • Ad Hoc Member of NIH Metallobiochemistry (BMT) Study Section (Oct. 2002)
  • Elected Councilor of the American Chemical Society's Division of Inorganic Chemistry (2002-2004)
  • Member of the Board of "Expert Analysts" for ChemTracts-Inorganic Chemistry (1998-2001)
  • Member of the Board of Editors for the journal Inorganic Chemistry (1/1997- 1/2000)
  • Member of NIH Metallobiochemistry (BMT) Study Section (1996-1999)
  • Ad Hoc Member of NIH Metallobiochemistry (BMT) Study Section (1995)
  • Chairman of Inorganic Chemistry for the 47th Northwest Regional ACS Meeting in Missoula, Montana, (June 17-19,1992)
  • Member of the ACS, Inorganic Division, Nominations and Symposia Planning Committee (1991/1992)
  • Organizer/Moderator of the 1990 Pauling Award Symposium
  • University of California President's Postdoctoral Fellowship (1986 - 1988)
  • National Institutes of Health Postdoctoral Fellowship (declined)
  • National Institutes of Health Training Grant (1982 - 1983)

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