个人简介

Professor Hadad received his B.S. with Honors degree in Chemistry from the University of Delaware in 1987. He was a Fannie and John Hertz pre-doctoral fellow at Yale University and obtained his Ph.D. degree in Organic Chemistry with Professor Kenneth Wiberg in 1993. He was a National Science Foundation post-doctoral fellow (1992 — 1994) at the University of Colorado (Boulder) with Professor Charles DePuy, and he then joined the Ohio State University in 1994 as an assistant professor. He has been honored with a National Science Foundation CAREER award.

研究领域

Organic/Theoretical/Biochemistry/Chemical Physics/Environmental

Reactive Intermediates, Computational Chemistry, Reactive Oxygen Species, Biological Chemistry, Photochemistry, Atmospheric and Combustion Chemistry The central research focus of our team's efforts is on the study of reaction mechanisms. We are interested in a diverse set of circumstances for these investigations – from biochemical applications in which organic transformations occur in an enzyme's active site; (2) the reactions of reactive oxygen species in biochemical, atmospheric (environmental) and combustion environments; (3) the role of reactive intermediates in these reaction mechanisms, especially after photochemical generation; and (4) the optimization of homogeneous and heterogeneous catalysts for improved conversion of chemical feedstocks. Thus, our research interests lie in understanding the kinetics and thermodynamics of reactive intermediates in the gaseous and condensed phases, and as applied to important applications including chemical biology, environmental chemistry, and energy conversion. Towards these goals, we use a variety of experimental and computational methods to study these diverse problems. We use computational methods for the in silico design of novel drugs, inhibitors, or enzymes for improved efficacy – often with the tools of electronic structure theory, molecular docking, molecular dynamics, hybrid quantum mechanical/molecular mechanical (QM/MM) methods. We then verify our theoretical predictions with a variety of experimental methods, including organic synthesis, chemical kinetics, photoaffinity labeling, and mass spectrometry. A variety of synergistic experimental and computational efforts are currently underway in the research group. A number of projects are targeting the design of novel enzymes for novel function or developing new routes for protection from exposure to organophosphorus (OP) agents, including pesticides and chemical nerve agents. Using tools of rapid in silico design, we are designing, and then verifying, the improved function of novel enzymes and chemical reactivators for protection against OPs. In addition, we are developing novel spin probes for the in vivo detection of biological agents using trityl radicals and electron paramagnetic resonance imaging. In energy applications, we are studying the reaction mechanisms for creating hydrogen fuel cells from various precursors. We are also interested in the conversion of value-added chemicals from biomass sources, in order to reduce our dependence on petroleum sources. In environmental applications, we are interested in the fate of organic pollutants in the environment, including the oxidation of polycyclic aromatic hydrocarbons under both biochemical, aqueous and atmospheric conditions. Currently, our research is supported by the National Science Foundation, the National Institutes of Health, the Defense Threat Reduction Agency, and the US Army Medical Research Institute of Chemical Defense. Previous members of the research group have taken on positions in industry and in academia. Recently, students have found employment at 3M, Chemical Abstracts, Dow Chemical, Marathon Oil, Procter & Gamble, Lubrizol and Vertex. Students interested in academic positions have taken assistant professor positions at diverse schools, including Bowdoin College, Indian Institute of Technology-Bombay, Iowa State University, Otterbein College, St. Louis University, Virginia Commonwealth University, and Winston-Salem State University. Professor Hadad is accepting new graduate students for autumn 2013 (and beyond).

近期论文

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Wang, J.; Burdzinski, G. T.; Gustafson, T. L.; Platz, M. S. "Ultrafast Study of p-Biphenylyldiazoethane. The Chemistry of the Diazo Excited State and the Relaxed Carbene," J. Am. Chem. Soc. 129, 2597-2606 (2007). Wang, J.; Kubicki, J.; Burdzinski, G. T.; Hackett, J. C.; Gustafson, T. L.; Hadad, C. M.; Platz, M. S. "Early Events in the Photochemistry of 2-Naphthyl Azide from Femtosecond UV/Vis Spectroscopy and Quantum Chemical Calculations. Direct Observation of a Very Short-lived Singlet Nitrene," J. Org. Chem. 72, 7581-7586 (2007). Wang, J.; Kubicki, J.; Hilinski, E.; Gustafson, T. L.; Platz, M. S. "Ultrafast Study of 9-Diazofluorene: Direct Observation of the Excited Singlet Carbene," J. Am. Chem. Soc. 129, 13683-13690 (2007). Chisholm, M. H.; Chou, P.-T.; Chou, Y.-H.; Ghosh, Y.; Gustafson. T. L.; Ho, M.-L. "Preparations and Photophysical Properties of Fused and Non-Fused Thienyl Bridged MM (M = Mo or W) Quadruply Bonded Complexes," Inorg. Chem. 47, 3415-3425 (2008). Wang, J.; Kubicki, J.; Gustafson, T. L.; Platz, M. S. "The Dynamics of Carbene Solvation: An Ultrafast Study of p-Biphenylyltrifluoromethylcarbene," J. Am. Chem. Soc. 130, 2304-2313 (2008). Burdzinski, G. T.; Wang, J.; Gustafson, T. L.; Platz, M. S. "Study of Concerted and Sequential Photochemical Wolff Rearrangement by Femtosecond UV-Vis and IR Spectroscopy," J. Am. Chem. Soc. 130, 3746-3747 (2008). Wang, J.; Burdzinski, G. T.; Kubicki, J.; Gustafson, T. L.; Platz, M. S. "Ultrafast Carbene - Carbene Isomerization," J. Am. Chem. Soc. 130, 5418-5419 (2008). Hauser, A. J.; Zhang, J.; Mier, L. M.; Ricciardo, R. A.; Woodward, P. M.; Gustafson, T. L.; Brillson, L. J.; Yang, F. Y. "Characterization of Electronic Structure and Defect States of Thin Epitaxial BiFeO3 Films by UV-visible Absorption and Cathodoluminescence Spectroscopies," Appl. Phys. Lett. 92, 222901-1-3 (2008). Burdzinski, G. T.; Chisholm, M. H.; Chou, P.-T.; Chou, Y.-H.;Feil, F.; Gallucci, J. C.; Ghosh, Y.; Gustafson, T. L.; Ho, M.-L.; Liu, Y.; Ramnauth, R.; Turro, C. "The Remarkable Influence of M2δ to Thienyl π Conjugation in Oligothiophenes Incorporating MM Quadruply Bonds," Proc. Natl. Acad. Sci. USA 105, 15247-15252 (2008). Alberding, B. G.; Chisholm, M. H.; Chou, Y. H.; Gallucci, J. C.; Ghosh, Y.; Gustafson, T. L.; Patmore, N. J.; Reed, C. R.; Turro, C. "Quadruply Bonded Dimetal Units Supported by 2,4,6-Triisopropylbenzoates MM(TiPB)4 (MM = Mo2, MoW, and W2): Preparation and Photophysical Properties," Inorg. Chem. 48, 4394-4399 (2009). Alberding, B. G.; Chisholm, M. H.; Gustafson, T. L.; Reed, C. R.; Singh, N.; Turro, C. "[Bis(trispivalatodimolybdenum (II))-m-bis(4'-carboxylato-2,2':6',2''-terpyridine) ruthenium (II)] (2+) Tetrafluoroborate: Photophysical Studies," J. Cluster Sci. 20, 307-317 (2009). Alberding, B. G.; Chisholm, M. H.; Ghosh, Y.; Gustafson, T. L.; Liu, Y.; Turro, C. "Sexithiophenes Mediated by MM Quadruple Bonds: MM = Mo2, MoW and W2," Inorg. Chem. 48, 8536-8543 (2009). Alberding, B. G..; Chisholm, M. H.; Chou, Y.-H.; Ghosh, Y.; Gustafson, T. L.; Liu, Y.; Turro, C. "2-Thienylcarboxylato and 2-Thienylthiocarboxylato Ligands Bonded to MM Quadruple Bonds (M = Mo or W): A Comparison of Ground State, Spectroscopic and Photoexcited State Properties," Inorg. Chem. 48, 11187-11195 (2009). Alberding, B. G.; Barybin, M. V.; Chisholm, M. H.; Gustafson, T. L.; Reed, C. R.; Robinson, R. E.; Patmore, N. J.; Singh, N.; Turro, C. "Molecular, electronic structure and spectroscopic properties of MM quadruply bonded units supported by trans-6-carboethoxy-2-carboxylatoazulene ligands," Dalton Trans. 39, 1979-1984 (2010). Alberding, B. G.; Chisholm, M. H.; Gustafson, T. L.; Liu, Y.; Reed, C. R.; Turro, C. "Photophysical Studies of trans-Bis(phenylethynyl-diisopropylamidinato)-bis(acetato) dimetal Complexes (MM) where M = Mo or W," J. Phys. Chem. A, submitted for publication.