Chemistry
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Development of Mass Spectrometry-Based Assays for Newborn Screening: Novel Approaches to Lysosomal Acid Lipase and the Mucopolysaccharidoses
Newborn screening has been an important public health tool for over fifty years. As technology improves, new testing has developed for rare diseases including lysosomal storage disorders (LSDs) in parallel with novel ... -
Defect-Related Luminescence in Nanocrystals: Spectroscopy and Computation
Dopants and defects play an important role in the luminescence of semiconductors, from classic bulk phosphors to more recently developed colloidal nanocrystals. This thesis describes several studies on the photophysics of ... -
Development of Novel Direct Arylation Methodology for the Synthesis of Conjugated Polymers
Conjugated polymers (CP) represent an important class of materials in the field of organic electronics. From the seminal Nobel prize-winning studies on the semiconducting properties of polyacetylene in the 1970s, the ... -
Towards Efficient and Scalable Electronic Structure Methods for the Treatment of Relativistic Effects and Molecular Response
In the context of electronic structure theory, formal theoretical development must be accompanied by efficient and scalable computer implementation in order to study molecular systems at experimentally relevant scales. ... -
Studying Ultrafast Vibrational dynamics of Intramolecular Hydrogen Bonds using Broadband Infrared Pump-Probe Spectroscopy.
The concept of hydrogen bonding has been intimately involved in the bonding and arrangement pattern of various molecular assemblies including complex protein structure. There are also indications that hydrogen bonds play ... -
Spectroscopic Studies of Exciton Electronic Structure and Charge Recombination in Solution Processed Semiconductors for Photovoltaics
Understanding the fundamental photophysical processes that occur in solution processed semiconductors is the key to realizing their full potential in optoelectronic devices and uncovering new design strategies for materials. ... -
Energetics of Catalytic Intermediates on Nickel(111) by Calorimetry: Empirical Trends and Benchmarks for Quantum Theory
Our society depends on the use of catalysts for the manufacture of 90% of chemical industry products, for the mass production of fertilizers that grow our food supply, for the synthesis of the fuels that drive our ... -
Structural Elucidation of Gas-Phase Peptide Ions by Tandem Mass Spectrometry and Molecular Dynamics Simulations
The invention of the mass spectrometer has enabled scientists to discover numerous fascinating reactive gas-phase chemical species such as peptide cation radicals. The generation of these radicals can be accomplished via ... -
Plasmon Hybridization in Clusters of Metal Nanoparticles and Magnetic Nanoparticle Oligomers
As the field of plasmonics develops, new knobs to turn and levers to pull become available to researchers. From the morphology and material composition of individual nanoparticles to background environments tunable in real ... -
Stabilizing Degenerate Dopants in Colloidal Semiconductor Nanocrystals
Semiconductor nanocrystals possessing excess delocalized charge carriers are garnering considerable attention for their applications in a wide range of emerging technologies. In order to realize their incorporation into ... -
Development of Newborn Screening Methods for Mucopolysaccharidosis III type A and type B in Dried Blood Spot using Tandem Mass Spectrometry
Chapter I. Development of Newborn Screening Method for Mucopolysaccharidosis III Type A in Dried Blood Spot using Tandem Mass Spectrometry Mucopolysaccharidosis III type A (MPS III A) is an autosomal recessive inherited ... -
Development of Ultra-Fast Modulation for Application in Multi-Dimensional Gas Chromatography
A combination of four instrumental systems and one chemometric method are presented that improves the efficiency, resolving power (i.e. peak capacity/ peak capacity production), and lessens the typical time of multi-dimensional ... -
Development of Instrumental and Chemometric Techniques for the Analysis of Complex Samples via Multi-Dimensional Gas Chromatography
A combination of four instrumental systems and five chemometric methods are shown to improve the efficiency and resolving power (i.e. peak capacity/ peak capacity production) of multi-dimensional gas chromatography (MDGC) ... -
Expansion Microscopy for the Interrogation of Nanoscale Features in Complex Biological Systems
Super-resolution fluorescence microscopy enables researchers to directly observe details of biological systems on the nanoscale. However, current methods are often costly, require considerable skill, and necessitate the ... -
Electron Energy-Loss Spectroscopy: Analytical Theory and Numerical Simulations of Individual Nanoparticles and Nanostructures
The field of nanotechnology has experienced rapid growth over the past three decades which can largely be attributed to advances in technologies and experimental techniques. One technology in particular, the electron ... -
Photo and Electrochemical Investigations of Solution Processable Molecules and Materials for the Hydrogen Evolution Reaction
Sustainable hydrogen production photoelectrochemically or photocatalytically is a desirable process that has the potential to allow hydrogen to be utilized as a carbon free fuel. In order for this method to become commercially ... -
Characterization of the Structures of Small Peptides and their Interactions with Inorganic Minerals
Proteins mediate the nucleation and growth of many biominerals, yet the specifics of these protein-mineral interactions are often poorly understood. The focus of this dissertation is to better understand these interactions ... -
On the Excited States Formed During Interfacial Charge Transfer and Recombination in Organic Bulk Heterojunction Photovoltaic Devices
The optimization and implementation of organic photovoltaic (OPV) devices as low-cost and highly modular power sources are complicated by the intricacies of materials design and processing. Small variations in molecular ... -
Utilizing Molecular Dynamics' Multipotent Methodologies to Measure Microscopic Motions of DNA Molecules: A Magniloquent Manuscript on DNA’s Means and Mannerisms
DNA is an amazing molecule which is the basic template for all genetics. It is the primary molecule for storing biological information, and has many applications in nanotechnology. Double-stranded DNA may contain mismatched ... -
Preparation, Characterization, and Reactivity of Ruthenium Protic N-Heterocyclic Carbene Complexes
As carbon dioxide levels continue to rise in our atmosphere, scientific interest has peaked around the capture and utilization of CO2. Not only does CO2¬¬ have the potential to be used as a C1 building block for the ...
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