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Properties of Iron-Sulfur Clusters in Heterodisulfide Reductase
(2019-07-17)
Global warming is a continuing crisis today. It has caused great damage to our planet and health. One of the leading causes of this issue originates from humans releasing an enormous amount of greenhouse gases into the ...
Electron Propagator Theory: Fourth Order Diagrams, Composite Approach and Application to Anions, Superhalides and Double–Rydberg Anions
(2019-07-19)
The Electron Propagator Theory is useful for calculating vertical electron detachment energies and Dyson orbitals of neutral molecules and anions. The Electron Propagator Theory is a second quantization method that can be ...
Investigating the Catalytic and the Metabolic Role of the Thiol Dioxygenase and a Sulfurtransferase in the mdo Operon from Pseudomonas aeruginosa
(2019-12-10)
Mammalian cysteine dioxygenase (CDO) is a mononuclear iron containing enzyme that belongs to the cupin superfamily. CDO catalyzes the oxidation of cysteine to cysteine sulfinic acid. It contains an amino acid-derived ...
Influence of Pyridine on the Unique Multi-Electron Redox Cycle of Nickel Diethyldithiocarbamate
(2019-07-09)
Nickel is an intriguing metal for use in multi-electron renewable energy storage due to its high earth-abundance and cost-effective nature. Understanding the redox chemistry of this metal could lead to better redox storage ...
Improving Dispersion Energy Calculations
(2019-12-06)
Various approaches were investigated and developed to improve dispersion energy
calculations. The highest levels of ab initio electronic structure theory available were
applied to study nine characteristic points on the ...
Functional Genomics Investigation of Siroheme and Heme d1 Biosynthesis
(2019-06-12)
Many bacteria and archaea grow under anaerobic or microaerophilic conditions. In order for these organisms to survive under these conditions, many utilize nitrate or nitrite as terminal electron acceptors for anaerobic ...
Uranyl Sensing and Extracting Using Salen-base Quinoxalinol Ligands
(2019-04-23)
In spite of infamous nuclear accidents, the increasing need for low cost, reliable
energy with low greenhouse emission makes the use of nuclear power an attractive
option. Unfortunately, the nuclear fuel cycle produces ...
Methyl-coenzyme M reductase: Expressing active recombinant enzyme in M. maripaludis, and investigating the activation process, and the mechanism of inhibition of 3-nitrooxypropanol and Studying the effect of Ionic liquids on the mononuclear rearrangement of heterocycles using QM/MM method
(2019-07-25)
The study of the biosynthesis of methane is appealing from both its potential role in biofuel production and environmental perspectives. Methane is the main component of natural gas, and it is also a potent greenhouse gas ...
Investigating the Mechanistic Roles of Conserved Residues in Cysteine Dioxygenase: How a Hydrogen-bonding Network and a Rogue Cysteine Effect L-cysteine Oxidation and Crosslink Formation
(2019-03-28)
Cysteine Dioxygenase (CDO) catalyzes the oxidation of L-cysteine to L-cysteine sulfinic acid utilizing iron as a cofactor. Adjacent to the iron center is a protein-derived thioether crosslink formed by a cysteine (Cys93) ...
A Cyclophane-Based Approach to [n]Cycloparaphenylenes and an Allylic Arylation Strategy for Regioselective Triphenylene Synthesis
(2019-04-17)
CHAPTER 1 Synthesis of functionalized p-terphenyl-containing macrocycles as key intermediates in the synthesis of functionalized [n]CPPs
Strategically designed, substituted para-terphenyl-containing macrocycles are ...