The main result of this written dissertation is a mathematical solution to the problem of multiplex recording for high performance tandem time-of-flight mass spectrometry. The prescription is to use a time-lag accelerator in the second stage to match the ion optical properties of the decay fragments to the requirements of...
The research question address in this study is, “To what extent will the use of hands-on activities for introducing concepts in bioinformatics promote student engagement in after-school STEM club settings?” It is hypothesized that high school students' engagement in hands-on bioinformatics activities promotes their awareness of, and interest in, STEM...
Oxidative stress is defined as an imbalance that favors the production of reactive oxygen species (ROS) over an organism's antioxidant defense. ROS have the ability to damage, either directly or indirectly, biomolecules including DNA, proteins, carbohydrates, and lipids. Various pathological conditions and environmental and chronic diseases have been associated with...
Dibenzo(def,p)chrysene (DBC), (also known as dibenzo[a,l]pyrene), is a high molecular weight polycyclic aromatic hydrocarbon (PAH) found in the environment, including food, produced by the incomplete combustion of hydrocarbons. DBC, classified by IARC as a 2A probable human carcinogen, has a relative potency factor (RPF) in animal cancer models 30-fold higher...
Glutathione, a ubiquitous intracellular tripeptide, protects cells by reacting with electrophiles and radicals that can damage cellular macromolecules. However, glutathione conjugation is now recognized as one mechanism by which drugs and xenobiotics can also be converted to reactive intermediates having toxic consequences to cells. The halogenated alkane 1,2-dichloroethane forms S-(2-chloroethyl)...
In spite of their importance in many systems, liquid surfaces have been
explored at the microscopic level to a much lesser extent than solids. Most surface
analysis must take place in vacuum, a major drawback for liquids. The technique of
time-of-flight scattering and recoil spectrometry (TOF-SARS) has been applied to...
Liquid surfaces are very abundant in nature. Despite the importance of the liquid
interface in general, experimental molecular-level data was almost completely lacking
prior to the last decade and a half. The intent of this work is to provide a means by
which experimental data on the composition of liquid...
Dysfunction of mitochondria has been linked to aging and the pathogenesis of many degenerative diseases. Aside from their primary function in energy production, mitochondria are considered as a major source and target of reactive oxygen and nitrogen species (ROS/RNS) in cells as well. The mitochondrial thiol proteome is a subset...
The fragmentation characteristics of protonated peptides have been investigated using
tandem mass spectrometry (MS/MS) under various fragmentation regimes and detailed
density functional theory (DFT) reaction pathway calculations. The DFT calculations
predict novel salt-bridge stabilized transition structures as well as consecutive reactions
occurring in proton-bound dimers for some of the ions...
In recent years, many studies have focused on the molecular and biochemical mechanisms regulating the development of wine grapes. The course of grape berry development is directed by genetic design and is mediated by phytohormones, which regulate grape berry growth and development by orchestrating a complex network of interacting genes,...
Proteins are essential to all biological systems. Proteins participate in numerous cellular processes by interacting with other proteins, other metabolites and membranes in a dynamic environment. Studying the structural and conformational properties of proteins in the solution phase is necessary to understand their protein folding and interaction dynamics. This research...
Metabolomics is a comprehensive analysis of small molecules, or metabolites, in a system. Metabolomics is a hypothesis-generating experiment and offers an unbiased analysis of cell metabolism that can aid in the understanding of fundamental biological processes. Metabolomics is widely and broadly applicable in the biological sciences and has been used...
Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous contaminants and are mostly products of the incomplete combustion of organic material. PAHs are often found in environmental samples as a complex mixture of isomers. In addition, the same sources that produce complex PAH mixtures also produce other poorly characterized mixtures of organic compounds,...
In this thesis, we investigated the surface composition and orientation of both pure room-temperature ionic liquids (Ils) and binary mixtures of the ILs of the type consisting of the 1-alkyl-3-methylimidazolium ([C[subscropt n]mim]⁺, n=4, 8, and 12) cation coupled with either [PF₆]⁻, [BF₄]⁻, [Cl]⁻, or [Br]⁻. The surfaces of the ILs...
In this dissertation, I present the work of developing more efficient and economical techniques for fragmenting large bio-molecules, and ultimately making mass spectrometry a more powerful tool in proteomics, DNA sequencing, and other areas of biomolecular analysis.
Aiming at lowering the installation and operating cost, and delivering electron capture dissociation...
Signal transduction within and between cells is at the core of biological activity in all living systems. Signaling networks are required for regulating biological functions, including growth, development and survival. Deregulation of signaling cascades has been linked to chronic and acute diseases and disorders This thesis focuses on mass spectrometry...
In particle induced desorption-ionization mass spectrometry the strength of an
analyte's signal under a given set of bombardment conditions is usually considered to
be representative of the analytes relative surface activity. This rationale is generally
used to explain differences in the technique's sensitivity between and within various
classes of compound....
The adduction of proteins and other biomolecules by electrophilic lipid peroxidation products such as 4-hydroxy-2-nonenal (HNE), 4-oxo-2-nonenal (ONE), malondialdehyde (MDA) or acrolein (ACR) is thought to be an initiating and/or propagating factor in the pathophysiology of several diseases such as atherosclerosis, diabetes, Alzheimer's, Parkinson's and other age-related disorders. The identification...
A sensitive, selective, rapid analytical method based on large-volume injection (LVI)
liquid chromatography/ tandem mass spectrometry was developed using
commercially-available hardware that eliminates the need for either off-line or on-line
solid phase extraction. Centrifugation followed by the direct injection of 1,800 µL
was used for the quantification of illicit drugs,...
The objective of this work is to add to the body of translational data between high dose animal model research and the environmentally relevant human metabolism of the persistent pollutant dibenzo[def,p]chrysene (DBC). We furthered the knowledge of gene/exposure interactions by determining the carcinogenesis risk based on Cyp1b1 genotype following in...
Microbial natural products represent a massive repository of unique chemical scaffolds with corresponding diverse biological functions. However, in the past decade the development of natural products into new therapeutics has dwindled, in part due to the challenges posed by high rediscovery rates and low throughput associated with classical bioassay-guided fractionation...