Selected Publications from the Roth Group

Please see the CV for a full publication list  

28.“Mechanisms of Tyrosyl Radical Formation in Heme Oxygenase.”in preparation.     

27.“Combined Experimental and Theoretical Investigations of Competitive Oxygen-18 Kinetic Isotope Effects on Water Oxidation by Homogenous Ruthenium Catalysts.” in preparation.     

26.“Experimental and Computational Evidence of Metal-O2 Activation and Rate-Limiting Proton-Coupled Electron Transfer in a Copper Amine Oxidase.” Y. Liu, A. Mukherjee, N. Nahumi, M. Ozbil, D. Brown, A. M. Angeles-Boza, D. M. Dooley, R. Prabhakar, J. P. Roth*J. Phys. Chem. B 2013,117, 218-229. 

25. “Studies of the Di-Iron(VI) Intermediate in Ferrate-Dependent Oxygen Evolution from Water.” R. Sarma, A.M. Angeles-Boza, D.W. Brinkley, J.P. Roth* J. Am. Chem. Soc. 2012, 134,15371-86. 

24.“Oxygen Kinetic Isotope Effects upon Catalytic Water Oxidation by a Monomeric Ruthenium Complex.”  A.M. Angeles-Boza, J. P. Roth* Inorganic Chemistry 2012, 51, 4722−4729. 

23.“Electrostatic Catalysis in Glucose Oxidase.” J. P. Roth* Flavins and Flavoproteins, Proceedings of 17th International Symposium, 2013, Lulu in press.

22.“Hydrogen Tunneling Steps in Cyclooxygenase-2 Catalysis.” H. H.Danish, I. S. Doncheva, J. P. Roth* J. Am. Chem. Soc. 2011, 133, 15846-15849.

21.“Experimental and Computational Investigations of Oxygen Reactivity in a Heme and Tyrosyl Radical-Containing Fatty Acid α-(Di)oxygenase.” G.S. Huff, I.S. Doncheva, D.W. Brinkley, A.M. Angeles-Boza, A. Mukherjee, C.J. Cramer, J P. Roth*Biochemistry 2011, 50, 7375-7389.

20.“Structure and Reactivity of Copper-Oxygen Species Revealed by Competitive Oxygen-18 Isotope Effects.” Roth, J. P. in Copper-Oxygen Chemistry Itoh, S. Karlin, K. D. Eds. Vol. 4  Wiley (Series on Reactive Intermediates in Chemistry and Biology) Rokita, S. E. Series Ed. New York: 2011 169-196.

19. “Catalytic Mechanism of a Heme and Tyrosyl Radical-Containing Fatty Acid a-(Di)oxygenase.” A. Mukherjee, A. M. Angeles-Boza, G. S. Huff, J. P. Roth* Journal of the American Chemical Society, 2011, 133, 227-238.

18.“Heavy Atom Isotope Effects as Probes of Transition Metal-Mediated Small Molecule Activation.” J. P. Roth* in Physical Inorganic Chemistry: Methods and Techniques Vol. 1, Wiley, New York: 2010, 425-457.

17.“Oxygen Isotope Effects as Structural and Mechanistic Probes in Inorganic Oxidation Chemistry.” D. C. Ashley, D. W. Brinkley, J. P. Roth* Inorganic Chemistry (Special Forum on Oxygen Reduction and Activation), 2010, 49, 3661-3675.

16. “Oxygen Isotope Effects as Probes of Electron Transfer Mechanisms and Structures of Activated O2.” Accc. Chem. Res. 2009, 42, 399-408.

15.“Computational Modeling of Oxygen Isotope Effects on Metal-Mediated O2 Activation at Varying Temperatures.” V. V. Smirnov, M. P. Lanci, J. P. Roth* J. Phys. Chem. A. (Max Wolfsberg Festschrift), 2009, 113, 1934-1945.

14. “Evidence for Protein Radical-Mediated Nuclear Tunneling in Fatty Acid α-oxygenase.” A. Gupta, A. Mukherjee, K. Matsui, J. P. Roth* J. Am. Chem. Soc. 2008, 130, 11274-11275.

13. “The Mechanism of Molecular Oxygen Reduction Catalyzed by Copper Amine Oxidases.” A. Mukherjee, V. V. Smirnov, M. P. Lanci, D. E. Brown., E. M. Shepard, D. M. Dooley, J. P. Roth* J. Am. Chem. Soc. 2008, 130, 9459-9473.

12. “Direct Examination of H₂O₂ Activation by a Heme Peroxidase.” J. P. Roth*; C. J. Cramer* J. Am. Chem. Soc. 2008, 130, 7802-7803.

11. “Isotopic Probing of Molecular Oxygen Activation at Copper(I) Sites.” M.P. Lanci, V.V. Smirnov, C.J. Cramer, E.V. Gauchenova, J. Sundermeyer, J.P. Roth*J. Am. Chem. Soc. 2007, 129, 14697-14709.

10.“Molecular Oxygen Dependent Steps in Fatty Acid Oxidation by Cyclooxygenase-1 (COX-1)” A. Mukherjee, D. W. Brinkley, K-M. Chang, J. P. Roth* Biochemistry, 2007, 46, 3975-3989.

9.“Advances in Studying Bioinorganic Reaction Mechanisms: Isotopic Probes of Activated Oxygen Intermediates in Metalloenzymes.” J. P. Roth* Curr. Opin. Chem. Biol., 2007, 11, 142-150.

8.“Mechanisms of Electron Transfer in Catalysis by Copper Zinc Superoxide Dismutase.” V. V. Smirnov, J. P. Roth*J. Am. Chem. Soc. 2006, 128, 16424-5.

7.“Oxygen Isotope effects upon Reversible O₂-Binding Reactions: Characterizing Mononuclear Superoxide and Peroxide Structures.” M. P. Lanci, J. P. Roth* J. Am. Chem. Soc. 2006, 128, 16006-7.

6.“Probing Metal-Mediated O₂ Activation in Chemical and Biological Systems.” V. V. Smirnov, D. W. Brinkley, M. P. Lanci, K. D. Karlin, J. P. Roth* J. Molec. Catal.A 2006, 251, 100-107.

5.“Evidence for Cu-O₂Intermediates in Superoxide Oxidations by Biomimetic Copper(II) Complexes.  V. V. Smirnov, J. P. Roth* J. Am. Chem. Soc. 2006, 128, 3683-95.

4.“Oxygen Kinetic Isotope effects as Probes of Enzymatic Activation of Molecular Oxygen.” J. P. Roth*, J. P. Klinman* Isotopes Effects in Chemistry and Biology, Kohen, A. and Limbach, H.-H. Eds. CRC Press, Boca Raton 2006, pp. 645-669.

3.“Determination of a Large Reorganization Energy Barrier for Hydride Abstraction by Glucose Oxidase.” D.W. Brinkley, J.P. Roth* J. Am. Chem. Soc. 2005, 127, 15720-1.

2.“Structures of Transition States in Metal-Mediated O₂ Activation Reactions.” M.P. Lanci, D.W. Brinkley, K.L. Stone, V.V. Smirnov and J.P. Roth* Angew. Chem.Int. Ed. 2005, 44,7273-6.

1.“Oxygen Isotope Effects on Electron Transfer to O₂ Probed Using Chemically Modified Flavins Bound to Glucose Oxidase.” J. P. Roth*, R. Wincek, G. Nodet, D. E. Edmondson, W. S. McIntire and J. P. Klinman*J. Am. Chem. Soc. 2004, 126, 15120-31.