Selected Publications from the Roth Group

Please see the CV for a full publication list  

29.“Tyrosine Oxidation in Heme Oxygenase: Examination of Long-Range Proton-coupled Electron Transfer.” V. V. Smirnov & J. P. Roth J. Bio. Inorg. Chem. 2014 in press.

28. “Online Oxygen Kinetic Isotope Effects Using Membrane Inlet Mass Spectrometry Can Differentiate between Oxidases for Mechanistic Studies and Calculation of Their Contributions to Oxygen Consumption in Whole Tissue.” M.H. Cheah, A.H. Millar, R.C. Myers, D. A. Day, J. Roth, W. Hillier, M. R. Badger Anal. Chem. 2014, 86, 5171-5178.

27.“Competitive Oxygen-18 Kinetic Isotope Effects on Water Oxidation Catalysis by Monomeric and Dimeric Ruthenium Complexes.” A. M. Angeles-Boza, M.Z. Ertem, R. Sarma, C. H. Ibañez, S. Maji, A. Llobet, C. J. Cramer J. P. Roth Chem. Sci. 2014, 5, 1141-1152.

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

25.“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

24. “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, 134,15371-15386. 

23.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. 

22.Hydrogen Tunneling Steps in Cyclooxygenase-2 Catalysis.” H. H.Danish, I. S. Doncheva, J. P. Roth* J. Am. Chem. Soc. 2011133, 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.