A5086838527- Atomic and Molecular Physics
- Metal-Catalyzed Oxygenation Mechanisms
- Cold Atom Physics and Bose-Einstein Condensates
- Electrocatalysts for Energy Conversion
- Metalloenzymes and iron-sulfur proteins
- Microbial bioremediation and biosurfactants
- Quantum, superfluid, helium dynamics
- Microbial metabolism and enzyme function
- Quantum chaos and dynamical systems
- Neonatal Health and Biochemistry
- Hemoglobin structure and function
- Plant Gene Expression Analysis
- bioluminescence and chemiluminescence research
- Heme Oxygenase-1 and Carbon Monoxide
- Molecular Communication and Nanonetworks
- Advanced Chemical Physics Studies
- RNA and protein synthesis mechanisms
- Advanced Frequency and Time Standards
- Photoreceptor and optogenetics research
- GABA and Rice Research
- Enzyme Structure and Function
- Protein Structure and Dynamics
- Ionosphere and magnetosphere dynamics
- Dust and Plasma Wave Phenomena
- CO2 Reduction Techniques and Catalysts
University of Michigan
2023
Auburn University
2011-2022
Rieske nonheme iron oxygenases use two metallocenters, a Rieske-type [2Fe-2S] cluster and mononuclear center, to catalyze oxidation reactions on broad range of substrates. These enzymes are widely used by microorganisms degrade environmental pollutants build complexity in myriad biosynthetic pathways that industrially interesting. However, despite the value this chemistry, there is dearth understanding regarding structure-function relationships enzyme class, which limits our ability...
We present a scheme for laser cooling applicable to an extremely dilute sample of magnetically trapped antihydrogen atoms (). Exploiting and controlling the dynamical coupling between 's motional degrees freedom in magnetic trap, three-dimensional can be achieved from Doppler one dimension using 1s1/2 − 2p3/2 transition. The lack access nearly separable nature trapping potential leads difficulties cooling. Using realistic models spatial variation fields, we find that it should possible cool...
Chlorophyll pigments are used by photosynthetic organisms to facilitate light capture and mediate the conversion of sunlight into chemical energy. Due indispensable nature this pigment its propensity form reactive oxygen species, heavily invest in biosynthesis, recycling, degradation. One key enzyme implicated these processes is chlorophyllase, an α/β hydrolase that hydrolyzes phytol tail chlorophyll produce chlorophyllide molecules. This was discovered a century ago, but despite importance...
Abstract Rieske oxygenases use a Rieske-type [2Fe-2S] cluster and mononuclear iron center to initiate range of chemical transformations. However, few details exist regarding how this catalytic scaffold can be predictively tuned catalyze divergent reactions. Therefore, in work, using combination structural analyses, as well substrate rational protein-based engineering campaigns, we elucidate the architectural trends that govern outcome monooxygenase TsaM. We identify features permit...
Radical S-adenosyl-l-methionine (SAM) enzymes are found in all domains of life and catalyze a wide range biochemical reactions. Recently, an organometallic intermediate, Ω, has been experimentally implicated the 5'-deoxyadenosyl radical generation mechanism SAM superfamily. In this work, we employ broken-symmetry density functional theory to evaluate several structural models Ω. The results show that calculated hyperfine coupling constants (HFCCs) for proposed structure Ω inconsistent with...
Heme oxygenases (HOs) play a critical role in recouping iron from the labile heme pool. The acquisition and liberation of are especially important for survival pathogenic bacteria. All characterized HOs, including those belonging to HugZ superfamily, preferentially cleave free b-type heme. Another common form found nature is c-type heme, which covalently linked proteinaceous cysteine residues. However, mechanisms direct pool unknown. Here we identify homolog oligopeptide permease (opp) gene...
We have performed classical and quantum calculations for a hydrogen atom in strong magnetic field exposed to parallel electric that linearly increases with time. The were the situation where electron is launched from near nucleus microcanonical ensemble. For case of low angular momentum, are compared. show there exist stable trajectories at positive energy these contribute possibility surviving fields. dependence survival probability versus strength can be used estimate behaviour Rydberg...
MRP.py is a Python-based parametrization program for covalently modified amino acid residues molecular dynamics simulations. Charge derivation performed via an RESP charge fit, and force constants are obtained through rewriting of either protein or GAFF database parameters. This allows the description interfacial interactions between modifed residue protein. capable working with variety databases. MRP.py's highly general systematic method obtaining parameters user to circumvent process...
The bioluminescence reaction in dinoflagellates involves the oxidation of an open-chain tetrapyrrole by enzyme dinoflagellate luciferase (LCF). activity LCF is tightly regulated pH, where essentially inactive at pH ∼8 and optimally active ∼6. Little known about mechanism or structure form enzyme, although it has been proposed that several intramolecularly conserved histidine residues N-terminal region are important for regulation mechanism. Here, constant accelerated molecular dynamics was...
We have calculated the rates for processes that result from collisions of positrons with Rydberg atoms in strong magnetic fields. This is first step a two-stage charge transfer, which being explored as mechanism formation cold anti-hydrogen. Unlike previous theoretical explorations we also investigated cases when energy can be comparable to or larger than binding atom. examined how big an electric field needed destroy resulting positronium. find transfer does not scale n = 40 states positron...