B.S., California State University, Long Beach, 1983
Ph.D., University of California, Berkeley, 1987
Postdoctoral, University of Colorado, 1987-90
Research in the Gronert group focuses on using mass spectrometry to investigate problems in organic and biological chemistry. In the former, the aim is to gain detailed information about elusive reactive intermediates in reaction mechanisms and in the latter, the aim is to characterize the oxidative damage to proteins that occurs during disease processes and aging.
Gas-Phase Reaction Mechanisms
Although the great majority of organic chemistry is carried out in solution, the gas-phase provides many advantages in probing reaction mechanisms. First, it is possible to study reactions in a well-characterized, inert environment and probe intermediates that are too reactive to isolate or characterize in solution. Second, in the absence of solvation and ion pairing effects, it is possible to investigate the intrinsic reaction mechanism and confidently attribute reactivity trends to the characteristics of the reaction partners. Current projects focus on reactive intermediates in organometallic chemistry, unusual mechanisms in nucleophilic aromatic substitution, and chiral recognition in small clusters.
The Oxidation Proteome in Disease and Aging
Post-translational protein modifications play a major role in signaling and other cellular activities, but remain a major challenge in modern bioanalytical chemistry. They are not coded by DNA, often are found in low concentrations, and can be transient. Mass spectrometry and proteomics approaches have proven to be the prime tools for identifying and characterizing post-translational protein modifications. We are focusing our efforts on the identification of protein oxidation products related to aging and disease processes. In each case, oxidative stress leads to irreversible protein modifications, which alter function and can lead to cell death or the breakdown of critical biological processes. The studies involve animal models such as drosophila as well as samples from clinical studies.
Selected Publications (from over 100)
- Soukup, L. L.; Gronert, S. “The Gas-Phase Reactions of Localized and Delocalized Carbanions with Aryl Halides: Competition between Attack on the π-System and the Periphery”, J. Mass Spectrom., 2015, 378, 31-37.
- Maclagan, R. G. A. R.; Gronert, S.; Meot-Ner (Mautner), M. “Protonated Polycyclic Aromatic Nitrogen Heterocyclics: Proton Affinities, Polarizabilities, and Atomic and Ring Charges of 1-5-Ring Ions”, Phys. Chem. A 2015, 119, 127-139.
- Wiseman, A.; Sims, L. A.; Snead, R.; Gronert, S.; Maclagan, R. G. A. R.; Meot-Ner (Mautner), M. “Protonation Energies of 1-5-Ring Polycyclic Aromatic Nitrogen Heterocyclics: Comparing Experiment and Theory”, Phys. Chem. A, 2015, 119, 118-126.
- Coskun, N; Cetin, M.; Gronert, S.; Ma, J. X.; Erden, I. “Pyrrolidine catalyzed reactions of cyclopentadiene with alpha,beta-unsaturated carbonyl compounds.: 1,2-versus 1,4-additions”, Tetrahedron, 2015, 71, 2636-2642.
- Swift, C. A.; Gronert, S. “Intermolecular C-H Bond Activation by a Cationic Iridium(III) Dichloride Phenanthroline Complex”, Chem. Int. Ed., 2015, 54, 6475-6478.
- Duarte, F.; Gronert, S.; Kamerlin, S. C. L. “Concerted or Stepwise: How Much Do Free-Energy Landscapes Tell Us about the Mechanisms of Elimination Reactions?” Org. Chem. 2014 79, 1280–1288.
- Child, B. Z.; Giri, S.; Gronert, S.; Jena, P. “Aromatic Superhalogens” – Eur. J. 2014 20, 4736–4745.
- Erden, I.; Gronert, S.; Keeffe, J. R.; Ma, J.; Ocal, N.; Gartner, C.; Soukup, L. L. “Effect of Allylic Groups on SN2 Reactivity” Org. Chem., 2014, 79, 6410-6418.
- Bowler, J. T.; Wong, F. M.; Gronert, S. Keeffe, J. R.; Wu, W. “Reactivity in the Nucleophilic Aromatic Substitution Reactions of Pyridinium Ions”, Biomol. Chem., 2014, 12, 6175-6180.
- Narayanasamy, S.; Simpson, D. C.; Martin, I.; Grotewiel, M. S.; Gronert, S. “Paraquat Exposure and sod-2 Knockdown have Dissimilar Impacts on the Drosophila Melanogaster Carbonylated Protein Proteome”, Proteomics, 2014, 14, 2566-2577.
- Gronert, S.; Garver, J. M.; Nichols, C. M.; Worker, B. B.; Bierbaum, V. M. “Dehalogenation of Arenes via SN2 Reactions at Bromine: Competition with Nucleophilic Aromatic Substitution”, Org. Chem., 2014, 79, 11020-11028.
- Bowler, J. T.; Wong, F. M.; Gronert, S.; Keeffe, J. R.; Wu, W. M. “Reactivity in the nucleophilic aromatic substitution reactions of pyridinium ions”, & Biomol. Chem., 2014, 12, 6175-6180.
- Aluri, H. S.; Simpson, D. C,; Allegood, J. C.; Szczepanel, K,; Gronert, S.; Chen, Q.; Lesnefsky, E. J. “Electron flow into cytochrome c coupled with reactive oxygen species from the electron transport chain converts cytochrome c to a cardiolipin peroxidase: role during ischemia-reperfusion:, Biophys. ACTA Gen. Sub. 2014, 1840, 3199-3207.
- Swift, C A.; Gronert, S. “Formation and Reactivity of Gold Carbene Complexes in the Gas Phase”, Organometallics, 2014, 33, 7135-7140.
- Gronert, S., “Carbanions” in Reactive Intermediate Chemistry, Moss, R. A.; Platz, M. S.; Jones, M. J., Ed. Wiley Interscience: Hoboken, NJ, 2004; 69-120.
- Lambert, J. ;Gronert, S.; Survell, H; Lightner, D. Organic Structural Spectroscopy, Pearson, New York, 2010, Chapters 7-10.