Research

Evaluation of Martian soil analog materials. Development of new methods for direct monitoring of pollutants via mass spectrometry. Novel analytical techniques for separation and detection of redox-sensitive trace species. Determination of structures and speciation of metals and trace elements adsorbed on environmental surfaces. Modeling speciation, precipitation and adsorption reactions of trace elements in environmental systems. Mechanisms of heavy metal tolerance/accumulation in plants. Effects of heavy metals on gene expression in plants. Detection of trace levels of volatile organic compounds and heavy metals in urban air, water and soil samples. Investigation of the cycling of non-living organic matter in aquatic systems in the context of the oceanic and global carbon cycles.

Professors

• Enright, Michael
• Komada, Tomoko
• Manning, Bruce
• Palmer, Pete

Enzyme reaction mechanisms. Synthesis of enzyme inhibitors, characterization of transition-state analogs and measurement of enzyme-ligand interactions. Isolation and characterization of methyl transferase enzymes. Structure-function relationships in membrane transport proteins and mechanisms of membrane biogenesis, with emphasis on outer membrane proteins of Escherichia coli. Biosynthesis and regulation of the expression of complex carbohydrate cell surface antigens. Characterization of enzymes involved in the nitric oxide cellular signaling pathway. Structural and functional studies of metalloproteins involved in redox reactions, oxygen activation, oxygen transport and signal transduction.

Professors

• Baird, Teaster
• Esquerra, Raymond
• Gassner, George
• Gerber, Nancy
• Guliaev, Anton
• Kuhn, Misty

Materials and Computational Chemistry. Research in this area (Adelstein) seeks to understand and improve materials for electrochemical technologies, with a focus on Li-ion batteries. We study atomic-scale processes, such as diffusion, in battery materials, using first-principles (quantum mechanics) simulations. Computational and Structural Biochemistry. Molecular dynamics simulations are used to study conformational dynamics of macromolecular structures including proteins, protein/DNA compexes, and DNA repair machinery. Topics of research will include computational studies of carcinogen modified bases and understanding the role of structural features in human DNA repair and recognition (Guliaev). 

Professors

• Adelstein, Nicole
• Guliaev, Anton

Reaction mechanisms and synthetic applications of organic peroxides. Mechanisms of fundamental organic reactions: computational approaches to modeling the transition states of nucleophilic substitutions and elimination reactions. Conformations of small peptides. Structure-reactivity relationships in acid- and base-catalyzed organic reactions, including heterolytic cleavage of C-H and C-C bonds. Design and synthesis of substrate analogs to elucidate the catalytic mechanisms of enzymes. Design and synthesis of novel modulators for enzymes and ion channels to treat human disease.

Professors

• Amagata, Taro
• Anderson, Marc
• Koehn, Eric
• Wu, Weiming

Research focuses on areas related to renewable energy and environmental remediation. Electrochemistry methods are used to examine charge transfer at the interface of electrodes and molecules in (photo) electrocatalytic anode reactions (Qiu); structural characterization methods include scanning electron and atomic force microscopy (SEM and AFM). Transition metal oxide and chalcogenide thin films are synthesized and characterized (SEM, AFM, XRD, conductivity, etc.) to prepare robust charge transport layers, photocatalysts for environmental remediation, and photoelectrocatalysts for water splitting (Ichimura). Lithium ion battery materials are studied using density functional theory (DFT) to inform the design and efficacy of solid state electrolytes (Adelstein).

Professors

• Adelstein, Nicole
• Ichimura, Andrew S.
• Qiu, Jingjing