Glen Kellog to present departmental seminar on to present seminar on February 3rd, 2010

Dr. Glen Kellogg, from the Department of Medicinal Chemistry, VCU will present the CLSE seminar on February 3, 2010.
The seminar will be held in Room 401, Engineering West Building from 12:15-1:30PM.
Refreshments will be served (12:15-12:30PM).
The Case of the Bound Ligand. A Medicinal Chemistry Detective Story.
A key part of understanding biological function on a molecular scale, and in affecting it with therapeutic entities, is based on experimental structural data from crystallography and NMR. Over the years one of the most potent and useful types of data has been crystal structures of a ligand (putative “drug”) bound in the active site of the enzyme or receptor protein. These data can illustrate how the ligand binds, but say nothing about how it got there and what adaptations the receptor made in accommodating it. This is not unlike a detective arriving at the scene of a murder and trying to recreate the crime from the clues left behind. In computational medicinal chemistry we attempt to parse the clues of structure in order to help design new and more efficacious ligands. This seminar will describe the tools for computational medicinal chemistry research used in my group, many of which have been developed at VCU, and describe the results from a few recent studies with which we have been involved. In particular, we have been studying a series of multiply-substituted pyrroles with anti-cancer activity that we have shown to inhibit tubule formation, and have determined an optimal pentapeptide for inhibiting cysteine biosynthesis in OASS-A – representing a new potential mechanism for antibacterial development.
Dr. Glen Kellogg received his B.S. in Chemistry from the University of New Mexico and his Ph.D. in Chemistry from the University of Arizona. After a postdoctoral stint with Tobin J. Marks at Northwestern University, he joined the VCU Department of Medicinal Chemistry where he is currently Associate Professor and Assistant Chairman. Dr. Kellogg is a Charter member of the Institute for Structural Biology and Drug Discovery and has published nearly 100 papers (submitted #99 last week!). He has NIH funding for continuing development of his HINT molecular modeling software system.

Steven McIntosh to present seminar on January 20th, 2010

Dr. Steven McIntosh, from the Department of Chemical Engineering, University of Virginia will present the CLSE seminar on January 20, 2010.
The seminar will be held in Room 401, Engineering West Building from 12:15-1:30PM.
Electrocatalysis of Solid Oxide Fuel Cells
The promise of direct and efficient conversion of chemical to electrical energy makes fuel cell development an area of great technological interest. Solid Oxide Fuel Cells (SOFCs) are unique in that they operate via ionic transport of oxidant (oxygen anions) from the air electrode (cathode) to the fuel electrode (anode). As such, SOFC can theoretically utilize a wide range of fuels, promising efficient power generation from high energy density fuels that are easily stored and transported; however, state-of-the-art Ni-based SOFC anodes are limited to hydrogen fuel due to carbon fouling on Ni in the presence of dry hydrocarbons.
Perovskite structured mixed metal oxides are a key class of functional materials utilized as catalysts and electrocatalysts in SOFCs. We have developed a unique pulse reactor system to study the catalytic activity of these materials towards hydrocarbon oxidation under SOFC anode conditions. This information is then utilized to interpret the dynamic electrocatalytic activity of direct hydrocarbon SOFC anodes. This is complemented by thin‐film electrode studies that enable more detailed electrochemical characterization. Although commercial SOFC development is underway, these efforts are hindered by the required operating temperature of >700oC. As the SOFC operating temperature is reduced, the cathode rapidly becomes the performance‐limiting component in the cell. We have utilized a thin‐film SOFC cathode system to probe the operating mechanism of these cathode materials with a goal to enhance performance at lower operating temperatures. Finally, I will present recent efforts that seek to lower the SOFC operating temperature through utilization of proton conducting oxide electrolytes and nanostructuring of the electrodes.
Steven McIntosh is currently an Assistant Professor of Chemical Engineering at the University of Virginia. He received his Bachelor of Engineering with 1st class honors from the University of Edinburgh, Scotland, in 1999 and his MS and PhD in Chemical Engineering from the University of Pennsylvania in 2001 and 2004, respectively. His graduate work was conducted under the supervision of Prof. Raymond Gorte and his PhD was entitled ‘Development of Direct Hydrocarbon Solid Oxide Fuel Cells’. Following a postdoctoral period in the Inorganic Materials Science group of Prof. Henny Bouwmeester at the University of Twente, NL, Dr. McIntosh joined the University of Virginia in 2006. Dr. McIntosh has authored or co‐authored 16 archival journal publications, and was awarded a Marie Curie Intra‐European Postdoctoral Fellowship from the European Union in 2004 and received a National Science Foundation CAREER award in 2007. His research interests are in electrochemistry, catalysis and solid-state ionics with a particular focus on solid oxide fuel cell development.