A5047728985- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- CO2 Reduction Techniques and Catalysts
- Carbon dioxide utilization in catalysis
- Metal-Catalyzed Oxygenation Mechanisms
- Protein Kinase Regulation and GTPase Signaling
- Protein Structure and Dynamics
- Ammonia Synthesis and Nitrogen Reduction
- Enzyme Structure and Function
Georgetown University
2021-2023
The life-sustaining reduction of N2 to NH3 is thermoneutral yet kinetically challenged by high-energy intermediates such as N2H2. Exploring intramolecular H-bonding a potential strategy stabilize diazene intermediates, we employ series [xHetTpCu]2(μ-N2H2) complexes that exhibit between pendant aromatic N-heterocycles (xHet) pyridine and bridging trans-N2H2 ligand at copper(I) centers. X-ray crystallography IR spectroscopy clearly reveal in [pyMeTpCu]2(μ-N2H2) while low-temperature 1H NMR...
Cyclic-nucleotide binding (CNB) domains are structurally and evolutionarily conserved signaling modules that regulate proteins with diverse folds functions. Despite a wealth of structural information, the mechanisms by which CNB couple cyclic-nucleotide to conformational changes involved in signal transduction remain unknown. Here we combined single-molecule computational approaches investigate conformation folding energetics two regulatory subunit protein kinase A (PKA). We found exhibit...
The life-sustaining reduction of N 2 to NH 3 is thermoneutral yet kinetically challenged by high energy intermediates such as H . Exploring intramolecular H-bonding a potential strategy stabilize diazene intermediates, we employ series [ xHet TpCu] (𝜇-N ) complexes that exhibit between pendant aromatic N-heterocycles ( X Het) pyridine and bridging trans -N ligand at copper(I) centers. X-ray crystallography IR spectroscopy clearly reveal in pyMe while low temperature 1 NMR studies coupled...
<div><p>The life-sustaining reduction of N<sub>2</sub> to NH<sub>3</sub> is thermoneutral yet kinetically challenged by high energy intermediates such as N<sub>2</sub>H<sub>2</sub>. Exploring intramolecular H-bonding a potential strategy stabilize diazene intermediates, we employ series [<sup>xHet</sup>TpCu]<sub>2</sub>(𝜇-N<sub>2</sub>H<sub>2</sub>) complexes that exhibit between...