First name,Last name,Preferred title,Overview,Position,Department,Individual
Donald,Darensbourg,Distinguished Professor,"The fundamentally interesting and challenging chemistry associated with carbon dioxide, coupled with its high potential as a source of chemical carbon, provides adequate justification for comprehensive investigations in this area. In our research program we have attempted to establish a clearer mechanistic view of carbon-hydrogen, carbon-carbon, and carbon-oxygen bond forming processes resulting from carbon dioxide insertion into M-H, M-C, and M-O bonds.
Relevant to the latter process our research has addressed the utilization of carbon dioxide in the development of improved synthetic routes for the production of polycarbonates. The hazardous and expensive production process currently in place industrially for these materials involves the interfacial polycondensation of phosgene and diols, accentuates the need for these studies. Although we and others have made significant advances in the synthesis of these useful thermoplastics from carbon dioxide and epoxides much of the fundamental knowledge concerning the reaction kinetics of these processes is lacking, due in part to the practical challenges associated with sampling and analyzing systems at elevated temperatures and pressures. This information is needed for making this process applicable to the synthesis of a variety of copolymers possessing a range of properties and uses. Our studies are examining in detail the mechanistic aspects of metal catalyzed carbon dioxide/epoxide coupling reactions employing in situ spectroscopy methods. For this purpose Fourier-transform infrared attenuated total refluctance (FTIR/ATR) spectroscopy is being utilized. Other related investigations involve the development of structural and reactivity models for the industrially prevalent double metal cyanide catalysts(DMC) used in polyethers and polycarbonate synthesis from epoxides or CO2/epoxides, respectively.",Distinguished Professor||Faculty Affiliate,Energy Institute||Chemistry,https://scholars.library.tamu.edu/vivo/display/n06bf3bf8
Robert,Lucchese,Professor,"We study various processes which involve electrons being scattered by or ejected from molecules. These processes include ectron-molecule collision, electron impact ionization, and photoionization. Recently we have worked closely with experimental groups around the world to study molecular frame photoelectron angular distributions. In these studies we can make detailed comparisons of experimental data and theoretical predictions of the probability of the emission of the photoelectron in specific directions relative to the orientation of the molecule. We have also considered electron scattering from cage molecules such as C60 and C20. In these systems we have found a new class of scattering resonances where the electron is trapped inside the cage. These processes are important in such physical systems as upper atmospheres, plasma processing of semiconductors, and surface analysis.
A second area of interest is the structure and dynamics of hydrogen bonded clusters. This work is done in collaboration with Professor J. W. Bevan's research group where the corresponding systems are studied experimentally. We develop potential energy surfaces using both experimental data and by performing quantum mechanical electronic structure calculations. These potentials are then used in quantum mechanical calculations of the vibrational motion of the complexes with particular attention being focused on the large amplitude motion found in hydrogen bonded systems. Currently we are studying the complexes CO--HI and (HBr)2. The results of this work will give a better understanding of important hydrogen bonded systems including liquid water and many systems of biological interest.",Professor,Chemistry,https://scholars.library.tamu.edu/vivo/display/n0b4070b0
Tadhg,Begley,Distinguished Professor,"The Begley Group is interested in the mechanistic chemistry and enzymology of complex organic transformations, particularly those found on the vitamin biosynthetic pathways. We are currently working on the biosynthesis of thiamin, molybdopterin, pyridoxal phosphate and menaquinone. Our research involves a combination of molecular biology, protein biochemistry, organic synthesis and structural studies and provides a strong training for students interested in understanding the organic chemistry of living systems and in pursuing careers in biotechnology, drug design or academia.
Thiamin pyrophosphate plays a key role in the stabilization of the acyl carbanion synthon in carbohydrate and amino acid metabolism. The biosyntheses of the thiamin pyrimidine and thiazole are complex and are different from any of the characterized chemical or biochemical routes to these heterocycles. We are particularly interested in cellular physiology and the mechanistic enzymology of thiamin biosynthesis. As an example of one of the complex transformations on this pathway, the figure below shows the structure of the pyrimidine synthase catalyzing the complex rearrangement of aminoimidazole ribotide (left) to the thiamin pyrimidine (right).",Distinguished Professor,Chemistry,https://scholars.library.tamu.edu/vivo/display/n498aa35b
Marcetta,Darensbourg,Distinguished Professor,"Bio-inspired Catalysts for Hydrogen Production: The ultimate, home-run, goal of our work is to synthesize and develop a robust, highly active hydrogen-producing catalyst comprised of earth-abundant transition metals within a ligand environment that is inspired by the biological Figure 3hydrogenase (H2ase) enzyme active sites. Progress in precise structural modeling of the illusive ""rotated"" structure displayed in the as-isolated, mixed-valent FeIIFe state in the past decade has permitted in depth analysis of electronic structure by Mo ssbauer, EPR (ENDOR), and computational chemistry. New electrocatalysts for hydrogen production: The connection between the Fe(NO)2 unit and the Fe(CX)3 (X = O or N) unit found in hydrogenase enzyme active sites offers opportunity for design of new catalysts, one of which is shown. In this regard we explore the ability of N2S2 metal complexes to bind as metallodithiolate ligands to various metal acceptors. The properties of such complexes vary The connection of these to light harvesting molecules for dye sensitized, sacrificial electron donor, hydrogen production is also of interest. When Iron Meets Nitric Oxide: Good Chemistry, Intriguing Biology. The affinity of iron for diatomic molecules, O2, CO, N2, and NO, is central to the most important of life processes, including those of human physiology. Figure 6In this research area we target synthetic chemistry involving dinitrosyl iron complexes (DNICs) that serve as biomimetics of products of FeS cluster degradation by excesses of NO, or as derived from the chelatable iron pool (CIP) in cells. The electronic ambivalence of the DNIC unit is expressed in the ease with which it interconverts between oxidized and reduced forms, {Fe(NO)2}9 and {Fe(NO)2}10, respectively (Enemark/Feltham notation), and serves as impetus to explore analogous reactions known to involve the CuII/CuI redox couple. The accessory ligands which stabilize one redox level over the other, including N-heterocyclic carb",Distinguished Professor||Faculty Affiliate,Energy Institute||Chemistry,https://scholars.library.tamu.edu/vivo/display/n6f445741
David,Barondeau,Associate Professor,Our group conducts research on Fe-S cluster biogenesis.,Associate Professor,Chemistry,https://scholars.library.tamu.edu/vivo/display/n83588e44
Oleg,Ozerov,Professor,"The projects in our group typically involve transition metal or main group organometallic chemistry but are diverse and cover a wide variety of synthetic and mechanistic work. The ideal-case research scheme consists of: 1) discovery of a new reaction or a structural environment; 2) demonstration of unusual reactivity, structural, or electronic novelty; 3) application of these findings to develop a new catalytic process. The training of students in our group is not built around a narrow research theme but instead aims to help students mature into problem-solving practicing synthetic chemists through exposure to diverse research experiences.",Professor,Chemistry,https://scholars.library.tamu.edu/vivo/display/n8f8f768d
Frank,Raushel,Distinguished Professor,"Enzymes catalyze a remarkable variety of chemical reactions with extremely high rate enhancements and very selective substrate specificity. The research efforts in our laboratory are directed towards a more complete understanding of the fundamental principles involved in enzyme-catalyzed chemistry and the dependence on protein structure. The pursuit of this information will provide the framework for the rational and combinatorial redesign of these complex molecules in an effort to exploit and develop the properties of enzyme active sites for a variety of chemical, biological, and medicinal uses. The techniques that we are using to solve these problems include steady-state and stopped-flow kinetics, NMR and EPR spectroscopy, X-ray crystallography, and the synthesis of inhibitors and suicide substrates. We are also using recombinant DNA methods to construct new proteins with novel catalytic properties. These efforts are currently being directed to the reactions catalyzed by phosphotriesterase and enzymes involves in the degradation of lignin and the metabolism of novel carbohydrates from the human gut microbiome.
The phosphotriesterase enzyme catalyzes the hydrolysis of organophosphate insecticides and other toxic organophosphate nerve agents. We have discovered that the active site of this protein consists of a unique binuclear metal center for the activation of water. We are now investigating the structure and properties of this metal center as a model system for the evolution of enzyme structure and function. Toward this end we have mutated the active site of this enzyme in a research project to create novel enzymes with the ability to detect, destroy, and detoxify various chemical warfare agents such as sarin, soman, and VX. The Raushel laboratory is also engaged in a large scale research project that is focused on the development of novel strategies for the discovery of new enzymes.",Distinguished Professor,Chemistry,https://scholars.library.tamu.edu/vivo/display/na84f2fec
Kevin,Burgess,Professor,"We use novel strategies Exploring Key Orientations (EKO) that feature datamining to compare simulated preferred conformers of chemotypes we design with key features at protein-protein interfaces. Many chemotype candidates can be screened against one PPI, or one chemotype can be screened against all the PPI interfaces in the PDB. Virtual hit chemotypes are prepared in my lab, then tested against protein-protein interactions of biomedicinal interest using an array of biophysical and cellular assays.
We also design small molecules to target cell surface receptors that are selectively overexpressed in cancer cells. Much or our work has been focused on the TrkC receptor that is particularly important to metastatic breast cancer and melanoma. Going forwards we are interested in expanding the targets to include cell surface receptors that are overexpressed when cancer cells undergo aberrant epithelial to mesenchymal transitions (EMT) to produce circulating tumor cells and cancer stem cells. Much of this work involves design and synthesis of the small molecules for this targeting.",Professor,Chemistry,https://scholars.library.tamu.edu/vivo/display/nc4a5cad4
Shiqing,Xu,Assistant Professor,"Our research aims to develop innovative synthetic methodologies and therapeutic approaches, and apply them to solving pressing problems of biological and medical importance. New synthetic methodologies and strategies (e.g. non-traditional disconnections and C-H functionalization) have great impacts on the discovery of transformational medicines by enabling the rapid and efficient synthesis of novel, diverse, and complex biologically active molecules. New therapeutic approaches (e.g. targeted covalent inhibition and targeted protein degradation) provide new opportunities to address traditionally ""undruggable"" disease targets.
We anticipate that the combination of the efforts in the development of novel synthetic methodologies and therapeutic approaches will advance drug discovery in diseases of unmet need, and achieve the research goal of identifying small-molecule probes and drug candidates that specifically remove/inhibit disease-causing proteins in cells and animal models and ultimately impact human health. Representative research directions include:
1. COVID-19 drug discovery via small-molecule-induced targeted protein inhibition and degradation
2. Late-stage functionalization of drugs and peptides & its applications in drug discovery
3. Organoboron chemistry and its medical applications",Assistant Professor,Chemistry,https://scholars.library.tamu.edu/vivo/display/ncd983c6e
Vytas,Bankaitis,Professor,"My laboratory is interested in the regulatory interfaces between novel lipid-mediated signal transduction pathways and important cellular functions. The focus of our work is the phosphatidylinositol/ phosphatidylcholine transfer proteins (PITPs), a ubiquitous but enigmatic class of proteins. Ongoing projects in the laboratory derive from a multidisciplinary approach that encompasses biochemical characterization of novel members of the metazoan PITP family, and the application of genetic, molecular and biophysical approaches to detailed structural and functional analyses of PITPs.",E.L. Wehner-Welch Foundation Chair||Professor||Professor,Cell Biology and Genetics||Biochemistry and Biophysics||Chemistry,https://scholars.library.tamu.edu/vivo/display/ncff8dc21
Kim,Dunbar,Distinguished Professor,"Research in the Dunbar group spans topics in synthetic, structural and physical inorganic and bioinorganic chemistry. The use of a range of tools including spectroscopy, X-ray crystallography, magnetometry, electron microscopy, mass spectrometry and electrochemistry reflect the breadth of problems under investigation.",Distinguished Professor,Chemistry,https://scholars.library.tamu.edu/vivo/display/ndd473437
Michael,Hall,Professor,"Our group applies ""state-of-the-art"" theoretical techniques to chemical problems of current interest to practicing inorganic, organometallic, and biological chemists. We also develop new algorithms that are especially suited to electronic structure problems in large transition metal molecules.",Professor,Chemistry,https://scholars.library.tamu.edu/vivo/display/ne91c0625