• Computational Thermodynamics of Gas and Solution Phase Anions 

  McNeill, Ashley Shari (University of Alabama Libraries, 2020)

  The work in this dissertation focuses on the computational analysis of the thermodynamics of anions in the gas phase and in aqueous solution to provide unique insights into the chemistry of a range of biologically and ...
• Controlled Synthesis and Characterization of Magnetic Chalcospinels Nanocrystals 

  Akbari Afkhami, Farhad (University of Alabama Libraries, 2020)

  Binary and ternary metal chalcogenides have become well-known materials among chemists, physicists, material scientists, and other researchers of the field, and they have attracted significant attention because of their ...
• Investigations Involving Proton/Hydrogen Transfer in Peptides Using Mass Spectrometry 

  Jing, Xinyao (University of Alabama Libraries, 2020)

  Mass spectrometry (MS) has been an important technique to ionize and sequence peptides, which makes MS indispensable in the field of proteomics. This dissertation contains studies of peptide ionization and dissociation ...
• Investigation of the RNA-Protein Structure-Function Relationships in the CRISPR-Cas10 Complex and Erythromycin-Resistance RNA Methyltransferases 

  Nasef, Mohamed (University of Alabama Libraries, 2021)

  CRISPR-Cas systems are a class of adaptive immune systems in prokaryotes that use small CRISPR RNAs (crRNAs) in conjunction with CRISPR-associated (Cas) nucleases to recognize and degrade foreign nucleic acids. Recent ...
• Electronic Effects in Multidentate Pyridinol and N-Heterocyclic Carbene Based Ligands for Transition Metal Catalyzed Carbon Dioxide Reduction 

  Boudreaux, Chance M (University of Alabama Libraries, 2021)

  The design of new catalysts with high catalytic efficiency and robustness towards carbon dioxide (CO2) reduction is of paramount importance. A full understanding of the requirements for creating a catalyst of this type is ...
• Photo-Electroswitchable Arylaminoazobenzenes 

  Keane, Katie Strickland (University of Alabama Libraries, 2021)

  Azobenzenes consist of two phenyl rings linked by an azo unit (N=N), existing in E or Z isomeric forms. Their ability to reversibly transform between 'extended' thermodynamically favored E and higher energy 'contracted' Z ...
• The role of outer-sphere residues and substrate-binding at the 3-mercaptopropionic acid dioxygenase (3mdo) active site: a combined spectroscopic and computational investigation 

  York, Nicholas James (University of Alabama Libraries, 2021)

  Thiol Dioxygenases (TDOs) are non-heme iron enzymes that catalyze the O2-dependent oxidation of thiol-bearing amino acid derivatives to their corresponding sulfinic acid. Recently, considerable work has been focused on ...
• Light-activated protic ruthenium anticancer compounds: structure function relationships and determining which factors influence toxicity 

  Gray, Jessica Lee (University of Alabama Libraries, 2020-12)

  While research in the field of metallo-based chemotherapy drugs is extensive, understanding the effects of pH responsive ligands within these systems is limited. In 2017, the Papish group reported a new class of pH sensitive ...
• Spectroelectrochemistry studies of perovskite electrode materials 

  Yadav, Jeetika (University of Alabama Libraries, 2021)

  Perovskite materials have interesting optoelectronic properties such as tunable bandgap, high photoluminescence, broad spectral range, and emission tunability in the entire visible region. These materials have been extensively ...
• Synthesis of non-nucleoside methyltransferase inhibitors & investigation of pinacol phosphonate ester as a phosphonomethoxy source in antiviral drugs 

  Chakraborty, Amarraj (University of Alabama Libraries, 2021)

  Mixed lineage leukemia (MLL) is an incurable form of pediatric cancer. Disruptor of telomeric silencing 1-like (DOT1L), a lysine methyltransferase, is a critical enzyme associated with the initiation and progression of ...
• Investigations of conserved structure-function relationships and enzymatic evolution 

  Conte, Juliana Victoria (University of Alabama Libraries, 2021)

  The E.coli SUF pathway is the iron-sulfur cluster biogenesis pathway responsible for assembling iron-sulfur clusters during times of oxidative stress and iron starvation. SufS is the cysteine desulfurase enzyme responsible ...
• Metal organic frameworks as sorbents for volatile organic compounds 

  Shankwitz, Jennifer Elizabeth (University of Alabama Libraries, 2021)

  Metal organic frameworks (MOFs) are a class of highly porous materials with large surface areas, large pore volumes, and chemical tunability. These features make MOFs desirable as sorbents for applications such as gas ...
• Supramolecular interactions as a basis for differential sensing applications 

  Ihde, Michael Henry (University of Alabama Libraries, 2021)

  In this work, we used supramolecular interactions to construct systems that respond to analytical stimuli and report on specific chemical species in solution using optical spectroscopic techniques (e.g. absorbance and ...
• Nitrosoarenes: magnetic anisotropy, donor-acceptor bonding and host-guest chemistry 

  Kelley, Sarah Ariel (University of Alabama Libraries, 2021)

  Nitrosoarenes (Ar-N=O) were first reported by Baeyer in 1874 after successful synthesis of nitrosobenzene via a diphenyl mercury reaction with nitrosyl bromide. C-nitroso compounds (R-N=O), like nitrosobenzene, fall between ...
• Methodological studies of α-halogenated carbonyls and the synthetic investigation of dihydroresorcylide 

  Probasco, Kristina Claire (University of Alabama Libraries, 2020-12)

  The research presented herein consisted of projects with focuses on metal enolates and silane chemistry, and their uses in methodology and total synthesis. The projects were divided into three distinct chapters. The first ...
• Enhancing thermal isomerization rates of redox auxiliary-appended azobenzenes via redox auxiliary catalysis 

  Warner, David James (University of Alabama Libraries, 2020-08)

  Azobenzene exists in E or Z isomeric forms having different three-dimensional structures, chemical properties, optical properties and electronic properties. Azobenzene can switch between E and Z conformations using light ...
• Investigation of structural changes in vanadium containing transition metal oxides 

  Davenport, Matthew Austin (University of Alabama Libraries, 2020-12)

  We have completed an experiment to obtain diffuse scattering data for use in a comprehensive study of the local-structure changes as a function of molybdenum composition and have made large strides in interpreting some of ...
• Using ketones as catalyst activators in palladium-catalyzed cross- coupling reactions 

  Gilliam, Ashley (University of Alabama Libraries, 2020)

  PEPPSI-IPr (1) has become a very useful catalyst over the past decade. It has shown to be successful with almost every type of cross-coupling reaction that currently exists. These transformations have been used in catalytic ...
• Electron transfer dissociation and collision-induced dissociation mass spectrometry of metallated oligosaccharides 

  Duke, Ranelle Marie (University of Alabama Libraries, 2019)

  Investigations of metallated glycans through tandem mass spectrometry (MS/MS) can further the field of glycomics, the sequencing of the human glycome. The field is hindered by the lack of an analytical technique that can ...
• Mechanistic studies of water oxidation and carbon dioxide reduction using transition metal catalysts with protic ligands 

  Burks, Dalton Bodine (University of Alabama Libraries, 2019)

  The majority of energy produced in the world is derived from fossil fuels which are finite and have deleterious environmental effects. For a sustainable and environmentally-friendly energy future, alternative, renewable ...

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