Physical Sciences and Mathematics Commons^™

Development Of Novel Protein Digestion And Quantitation Methods For Mass Spectrometic Analysis, Yongling Ai

Dissertations

Proteins are the workhorses of biology, playing multifaceted roles in maintaining cellular function, signaling, and response to environmental cues. Understanding their abundance and dynamics is pivotal for unraveling the complexities of biological processes, which underpins the foundations of molecular and cellular biology. Accurate measurement of protein quantities provides insights into cellular homeostasis, facilitates the discovery of biomarkers, and sheds light on the molecular mechanisms of diseases, bridging the gap between the molecular intricacies of proteins and their functional consequences in health and disease. The evolution of protein quantitation methodologies, from classical colorimetric assays to sophisticated mass spectrometry-based approaches, has expanded …

Covalent Inhibition Of Enzyme Sortase A As A New Pathway Against Bacterial Resistance Of Staphylococcus Aureus, Umyeena Bashir

Master's Theses

The continued rise of antibiotic-resistant bacteria, such as MRSA (methicillin-resistant Staphylococcus aureus), has made the discovery of novel antibiotics critical. While bacteriostatic and bactericidal antibiotics inevitably exert evolutionary pressure on bacteria to develop resistance, small molecules that target mechanisms of bacterial virulence present a promising alternative for treatment. Sortase A (Srt A), a cysteine protease of S. aureus, promotes bacterial virulence by covalently attaching proteins such as pilin to the bacterial surface, enabling bacterial adhesion to mammalian cells. Inhibitory studies of this enzyme have gained prominent interest as a new pathway for drug development since blocking this enzyme's ability to …

Elucidating The Pd Active Sites Of Bimetallic Gold-Palladium Catalysts Using Chemisorption And Titration Techniques, Andrew T. Boucher

Electronic Theses and Dissertations

A bimetallic nanoparticle catalyst combines two different metals on an oxide support, which can increase the selectivity towards useful products that may be too tightly bound to a monometallic catalyst. To explore the surface properties of such a system, we made a group of four PdAu bimetallic catalysts with varying gold mass loadings to compare with a parent Pd catalyst. The parent catalyst was synthesized using ion exchange, and gold was added to this parent Pd catalyst using incipient wetness impregnation (IWI) to create four bimetallic catalysts. All catalysts were characterized using H₂ and CO chemisorption in tandem with …

Advances In Cellulose Nanomaterial-Based Foams For Environmental Applications, Md Musfiqur Rahman

Electronic Theses and Dissertations

The use of metal-oxide nanoparticles adsorbents is limited to fixed-bed columns in industrial-scale water treatment applications. This limitation is commonly attributed to the tendency of nanoparticles to aggregate, the use of non-sustainable and inefficient polymeric resins as supporting materials, or a lack of adsorption capacity. Foams and aerogels derived from cellulose nanomaterials have unique characteristics, such as high porosity and low density, which enables their use in a variety of environmental applications, including water treatment. However, the overall use of cellulose nanomaterial-based foams in various environmental sectors is limited due to the high cost of production associated with time- and …

Investigation Of Zinc And Iron In Wildflower Honey, Savannah Simpson

Honors Theses

Honey acts as a valuable food source for both animals and humans. When found in contaminated environments, there is an increased likelihood that honey samples will have high metal concentrations. It has been discovered that honey concentrations in metals can be different based on location. This experiment aims to determine the amount of two valuable metals, zinc, and iron, in various honey sources. These metals can be important to the human body because they help boost immunity and allow the body to carry out the functions required for survival. However, if these elements are present in copious quantities, then it …

Optimization Of Transition-Metal Inclusive Carbon Aerogels For Electrochemical Energy Applications, Allen Dalton Davis

Electronic Theses & Dissertations

The ever-growing need for energy alongside rising concerns for climate change demands the development of renewable energy technologies. Hydrogen fuel cells are a promising technology that can serve to either supplement energy generation or act as a lone power source. Yet for these devices to be truly green, the hydrogen that serves as fuel must be procured from a renewable resource. Electrolytic water splitting is a process that allows for the dissociation of water into H₂ and O₂. For this process to be practical, the electrolyzer needs to demonstrate high efficiency and stability, as well as a …

Synthesis Of Poly(Styrene-Co-Butyl Acrylate) Pickering Emulsion With Montmorillonite Nanoparticles And Its Comparison With Sodium Dodecyl Sulfate Surfactant On Affecting The Water Barrier Properties Of Coated Paper, Chidubem H. Uchefuna

Electronic Theses and Dissertations

Water-borne barrier dispersion coatings on paper have emerged as an alternative to extrusion coatings on paper due to improved recycling, high application speed, and other end of life attributes. Pigments are often added to improve the performance of dispersion coatings. The use of pigments to form a Pickering emulsion during the polymerization step for the production of a barrier coating on paper has not been discussed in the literature.

In this study, montmorillonite (MMT) pigment varied from 0-6 % pigment volume concentration (PVC) was used to synthesize dispersion coatings consisting of poly(styrene-co-butylacrylate) latex and compared with sodium dodecyl …

Enhanced Mechanical Strength Of Soybean Oil-Based Non-Isocyanate Polyurethane Adhesive For Wood Application By Introducing Nanofillers, Vatsal Chaudhari

Electronic Theses & Dissertations

Polyurethane (PU) is a versatile material that finds extensive use in various industries including bedding, construction, automotive, and packaging. Historically, this particular polymer relied significantly on petrochemical resources, a practice that was considered to have negative environmental impacts. The conventional method for preparing PU involves the use of isocyanate, which is a disadvantage due to its negative impact on the environment and human health. The resolution of this problem entails identifying an appropriate substitute for petroleum-derived products that minimize their impact on both the environment and human health. The researchers earlier utilized soybean oil, for the formulation of PUs in …

Microplate-Like Metal Pyrophosphate Engineered On Ni-Foam Towards Multifunctional Electrode Material For Energy Conversion And Storage, Rishabh Srivastava

Electronic Theses & Dissertations

High clean energy demand, dire need for sustainable development, and low carbon footprints are the few intuitive challenges, leading researchers to aim for research and development for high-performance energy devices. The development of materials used in energy devices is currently focused on enhancing the performance, electronic properties, and durability of devices. Tunning the attributes of transition metals using pyrophosphate (P₂O₇) ligand moieties can be a promising approach to meet the requirements of energy devices such as water electrolyzers and supercapacitors, although such a material’s configuration is rarely exposed for this purpose of study.

Herein, we grow …

Exploring Soybean Oil-Based Polyol And Effect Of Non-Halogenated Flame Retardants In Rigid Polyurethane Foam, Sahithi Kondaveeti

Electronic Theses & Dissertations

To address the increasing demand for sustainable biomaterials due to the depletion of fossil fuel resources and growing environmental concerns, a new type of biodegradable and environmentally friendly rigid polyurethane foam (RPUF) has been synthesized. These foams are derived from chemically modified soybean oil-based polyol obtained from soybean oil by epoxidation followed by a ring-opening reaction. Polyurethane foam is generally used in construction, furniture, and automobile industries but is highly flammable and releases toxic gases and smoke during combustion. In this study, a highly efficient synergistic effect halogen-free flame-retardant (FR) melamine salt, 2-carboxyethyl(phenyl)phosphinic acid melamine salt (CMA) was synthesized from …

Creating A Three Dimensional Ngss Aligned Unit On Motion And Energy For Middle Grades Students, Spencer M. Rudie

Honors Capstones

A study was conducted to see how the attitudes of middle school aged students would change with respect to science and engineering before and after participating in a ten-lesson unit. Students from the Barb City STEAM team (n=5) participated in the unit and attitudes assessment The unit was based on the principles of motion and energy, concluding with an engineering challenge where the students analyzed the motion and energy of a mousetrap powered car that they built from common craft materials. Their attitudes were assessed before and after the unit with seven questions using a five-point Likert scale, and the …

Thermocatalytic Plasma-Assisted Dry Reforming Of Methane Over Ni/Al2o3 Catalyst, Tyler Wong

Seton Hall University Dissertations and Theses (ETDs)

Plasma catalysis is an advantageous approach that combines the effects of plasma with the enhancements of a catalyst. By utilizing a nickel catalyst in the plasma discharge zone of a dielectric barrier discharge (DBD), it can give an enhancement to the electrical field, boost microdischarges, and increase conversion and selectivity rates of CH₄ and CO₂ in the dry reforming of methane (DRM) reaction.

Industrial application of nickel catalysts in DBD Plasma DRM process are limited by poor stability, which is caused by the sintering of active metal particles and coke deposition on the catalyst surface. In this work, …

Hydrogen Bond Activation Of Donor Acceptor Cyclopropanes, Matthew H.J. Pamenter

Electronic Thesis and Dissertation Repository

Donor acceptor cyclopropanes (DACs) are versatile organic building blocks used in the synthesis of many pharmaceutically relevant heterocycles. The combination of a high ring strain cyclopropane core and vicinal donor and acceptor substituents cause DACs to behave like 1,3-zwitterions. Recently, DACs have been activated by a hydrogen bond donor solvent in place of a Lewis acid catalyst, allowing the elimination of heavy metals commonly used in these transformations. Hexafluoroisopropanol (HFIP) as a hydrogen bond donor cosolvent was found to cause a downfield shift of the DACs electrophilic carbon in the 13C NMR spectrum. This indicates increased electrophilicity at this position …

Material Formulation And Process Optimization Towards Fabricating Robust 3d Printed Structures, Austin Riggins

Doctoral Dissertations

This dissertation focuses on understanding and addressing the fundamental physicochemical phenomena that lead to weak interfaces and structural warpage in material extrusion 3D printing. Polymeric feedstocks used for this manufacturing technique were manipulated through the incorporation of additives that alter the dynamics of the matrix during and after printing. In Chapter II, adhesion between layers of structures printed from PEEK was strengthened through a combination of low-molecular weight additive incorporation and post-printing thermal annealing. Chapter III reports a method for decreasing the irreversible thermal strain of structures printed from poly(lactic acid) by introducing nanographene and photoinitiator additives into the feedstock …

Integration Of Raman Spectroscopy And Python-Based Data Analysis For Advancing Neurobiological Research, Natalie E. Dunn

Doctoral Dissertations

The field of Raman spectroscopy continues to expand into biological applications due to its usefulness as a non-invasive technique that can be utilized qualitatively and quantitatively. However, the inherent weakness of Raman scattering leads to the need for each collected spectra to undergo a preprocessing step to remove noise, background drift, and cosmic rays. Biological research in particular needs large datasets due to the increased variability in samples. As datasets grow, the need to perform preprocessing on each individual spectra becomes daunting. Often, these steps are done by hand with the help of specialized software programs. Preprocessing can be accelerated …

Hydrothermal Synthesis Of First-Row Transition Metal Polyanions Towards The Design Of Frustrated Magnetic Materials, Megan Smart

All Dissertations

Novel modern materials are constantly being discovered as humanity seeks constantly better improvement to the optics and electronics around us, from lasers used in medical therapies to the magnets and supercomputing chips in our phones. Inorganic oxides commonly draw inspiration from naturally occurring minerals to template new discoveries through substitution of similarly behaving elements with the goal of inducing certain desired properties, such as ferroelectricity or creating the elusive quantum spin liquid. While many minerals are silicates, its periodic table neighbor germanium(IV) has a rich and under-explored crystal chemistry that could contain many new structures and magnetic materials. Another common …

Upcyclying Of Polyethylene Terephtalate By Addition Of Thermoplastic Elastomer, Diego Francisco Bermudez

Open Access Theses & Dissertations

Continual overconsumption of single-use plastics has generated challenges of solid waste management across the United States. Common plastic waste management solutions, such as landfill, have caused the migration of contaminants into the environment consequently affecting not only the health of wildlife, but also that of human beings. Alternative strategies for the handling of single-use plastic such as polyethylene terephthalate (PET), used in the food packaging industry, can ultimately help mitigate the noxious consequences of single-use plastics affecting entire ecosystems. This study demonstrates a potential avenue of materials upcycling by studying the effects of coupling PET with the thermoplastic elastomer styrene-ethylene-butylene-styrene …

Sterically Encumbering Ligands For The Synthesis And Stabilization Of Iron Nitride And Iron Oxo Compounds, Asiel Mena

Open Access Theses & Dissertations

The study of iron-nitrides has been found to be very attractive due to their potential role in processes like Haber-Bosch and nitrogen fixation by nitrogenase. The role of iron-nitrides in these processes is yet not well understood, and the fact that only handful of terminal iron-nitrides have been isolated or spectroscopically detected motivates us to study this type of systems, since much remains to be learned about the electronic and structural factors that affect the chemistry of the Feâ?¡N bond. Recently in our group, by using a super-bulky guanidinate ligand (LAr*), the obtention of an iron-nitride ([LAr*]FeN(py) (LAr* = (Ar*N)2C(NCtBu2), …

A Noninvasive Urine-Based Method For Kidney Cancer Early Detection, Kiana Holbrook

Open Access Theses & Dissertations

Based on the traditional serological uses to obtain diagnoses of cancer and biopsy techniques, common cancer detection could be not only invasive but expensive and some tests are also unreliable. Currently, urine is one of the most frequently used and collected specimens in the clinical diagnoses. While the areas of urinalysis and metabolomic profiling has received interest in the top clinical research, there are limited components to the validity, specificity, as well as sensitivity of endogenous urine substrates to detect early stages of cancers. Although there is research showcasing that urine is impacted by age, cancer type, geographical location, and …

Computation-Assisted Molecular Discovery For Biomedical Applications: Seeking Small Molecules And Dna Sequences With High Affinity Target Binding, Payam Kelich

Open Access Theses & Dissertations

Binding affinity between two molecules is an essential property in drug and sensor discovery. Several computational and experimental methods exist to find molecules with high binding affinities to desired target molecules. These methods are often complementary, where fast computational methods can be used for the initial screening of molecules, and experimental methods can then screen and determine the molecules of interest and sometimes define the structures of bound complexes. After these steps, computational methods, like molecular dynamics (MD) simulations, can provide detailed insights into atomic interactions and binding, and machine learning approaches can analyze experiment-derived data to discern patterns and …

Scalable Solution Processing Of Niox Nanoparticles., Peter James Armstrong

Electronic Theses and Dissertations

Perovskite solar cells (PSCs) are a promising alternative to silicon-based photovoltaics. However, PSCs face several challenges due to shortcomings in their stability, module efficiency, and scaled production. Although PSCs is still a young field of research, significant attention has been given to demonstrating power conversion efficiencies that are on par with traditional silicon. With that target reached, converting the laboratory demonstration into practical materials to increase access and abundance of solar energy are among the next large targets for the field. This comes with material challenges for perovskite and their companion charge transport layers (CTLs). Among the charge transport materials …

Green Analytical Methods For The Determination Of Perfluorocarboxylic Acids (Pfcas) And Fluorotelomer Alcohols (Ftohs) In Water, Ahsan Habib

Open Access Theses & Dissertations

Per- and polyfluoroalkyl substances (PFAS) are a large group of synthetic organic compounds manufactured for their heat, water, and stain-resistant properties. PFAS can be found ubiquitously in the environment because they are widely used in everyday consumer products such as fast-food wrappers, non-stick cookware, stain-resistant products, cosmetics, aqueous film-forming foams, etc. As a result, PFAS are commonly detected in surface water, wastewater, and biosolids from wastewater treatment plants (WWTPs). These are the direct sources of PFAS contamination in drinking water supplies, which are substantial sources of human exposure. Among these PFAS chemicals, two major groups are perfluoroalkyl carboxylic acids (PFCAs) …

Studies On Electrochemical Hydrogen Isotope Separation, Liyanage Mayura Sankalpa Silva

All Dissertations

Graphene-integrated Proton Exchange Membrane (PEM) electrochemical cells have emerged as a novel area of scientific investigation in the realm of hydrogen isotope separation. Chemical Vapor Deposited (CVD) graphene has been especially useful due to its large-scale production capability for scaling-up purposes. The research described in this dissertation explores the role that inadvertent introduction of cations, notably ammonium and copper, during the CVD graphene transfer onto PEM substrates, such as Nafion, might play in affecting hydrogen ion transport and isotope separation in PEM electrochemical cells. An extensive review of existing literature exposed a gap concerning unintentional cation introductions during graphene transfer, …

Understanding The Interaction Of Environmental Contaminants With Polystyrene Nanoparticles And Dna Using Nuclear Magnetic Resonance Spectroscopy And Density Functional Theory, Saduni Arachchi

All Dissertations

The objective of the thesis is to study the effect of environmental pollutants on polystyrene nanoparticles and biomolecules. This is done in two different techniques, particularly NMR and density functional theory. In this thesis, we use a combination of 1H NMR, Saturation-Transfer Difference (STD) NMR and relaxation experiments to study the interactions, kinetics and dynamics of antibiotics with polystyrene nanoparticles. (PS NPs) Density functional theory (DFT) is used to study the binding of commonly used non-oxidative hair dyes to biomolecules (DNA and amino acids) and PS particles.

Computational Investigations Of Bond Breaking Processes Using Dft And Td-Dft Approaches., Saurav Parmar

Electronic Theses and Dissertations

The efficient application of DFT and TD-DFT has been harnessed to study bond-breaking processes in some molecules which play a prominent role in enzymatic reactions. The first application includes Radical S-adenosyl methionine (SAM) enzymes which are fundamentally important sources of organic radicals to initiate diverse radical reactions. Recently a bio-organometallic intermediate (Ω) that contains an Fe‒C bond has been characterized and shown to be a common feature of radical SAM enzymes. The strength of Fe‒C bond in Ω has been computed using broken-symmetry density functional theory (BS‒DFT). Additionally, Fe‒C bond dissociation energy (BDE) in Ω has been compared to that …

Study Of Human Circadian Protein (Hrory) And Lipid-Protein Interaction In Giant Virus (Pbcv-1), Laila Noor

Open Access Theses & Dissertations

Project 1: Circadian rhythm is a 24-hour cycle that regulates physical and behavioral changes such as sleep-wake patterns in humans, tailoring the daily light and dark changes. Long-term disruption in circadian rhythms can cause sleep disorders such as sleep apnea, insomnia, et al. Limited research has been done on potential drugs to treat against circadian related sleep disorders. Inside the cell at molecular level, the circadian rhythm is regulated by interlocked time-delayed feedback loops, which involve positive and negative transcriptional regulators. Experimental results showed transcriptional factors Retinoic Acid Receptor-Related Orphan Receptors (RORs) improve the stability and functionality of the circadian …

Synthesis And Characterization Of Acetaminophen-Derived Nanoparticles: A Novel Approach To Inhibit Fibril Formation, Hannia Elena Mendoza-Dickey

Open Access Theses & Dissertations

In the realm of nanotechnology, nanoparticles (NPs), have garnered significant notoriety in recent scientific research due to their unique physical and chemical properties, such as fluorescence emissions, nanoscale dimensions (typically <1000 nm), ease of surface modification, and biocompatibility. Nanoparticles have shown their potential across a variety of areas, including advanced industrial applications and cutting-edge biomedical research. Considering their cost-effective synthesis, they have shown promise as therapeutic agents for a variety of bioimaging and biomedical applications. This thesis describes the synthesis and detailed analysis of acetaminophen-derived nanoparticles. Techniques such as Dynamic Light Scattering (DLS), Thioflavin T (THT) assay, Attenuated Total Reflectance Infrared Spectroscopy (ATR-IR), 1H NMR spectroscopy, and Ultraviolet-Visible Spectroscopy (UV-VIS) were utilized for structural and functional assessments. Acetaminophen derived nanoparticles (ANPs) exhibit potential to hinder the amyloidogenic conversion of soluble amyloid-forming proteins into their toxic form. The novelty of this research focuses on the utilization of chemical structures capable of traversing the Blood Brain Barrier (BBB) to mitigate xenotoxicant-induced neuronal damage, a notable contributor to neurodegenerative disorders. This thesis describes the synthesis and characterization of acetaminophen derived-nanoparticles (ANPs). Our nanoparticles possess anti-amyloidogenic properties as evidenced by their ability to disrupt in the soluble-to-toxic trajectory of HEWL. The prevalence and evolution of amyloid fibrils are consistent features in the pathology of neurodegenerative diseases such as Parkinson's disease (PD), Alzheimerâ??s Disease (AD), and Huntingtonâ??s Disease (HD), as well as metabolic disorders like Type 2 diabetes (T2D). The relationship between amyloidogenic pathways and these disorders highlights the imperative for enhanced understanding and the formulation of specific therapeutic interventions.

Computational Quantum Chemistry Studies Of The Stabilities Of Radical Adducts Formed During The Oxidation Of Melatonin Derivatives, James Horne

Electronic Theses and Dissertations

Melatonin is a natural antioxidant that has been investigated for properties as a potential spin trap to identify short-lived free radicals. Computational quantum chemistry studies have been performed for the oxidation of melatonin to N¹-acetyl-N²-formyl-5-methoxykynuramine. This research focused on modification of melatonin into derivatives and analyzing the change in total molecular energy from melatonin to its oxidation product, as well as the corresponding derivatives. Each of the molecular geometries were optimized at the DFT/B3LYP/6-31G(d), DFT/B3LYP/cc-pVXZ (X = D, T), HF/6-31G(d), HF/cc-PVXZ (X = D, T), MP2/6-31G(d), and MP2/cc-PVXZ (X = D, T) levels of theory. …

Computationally-Driven Insights Into The Ligand Environments Of Materials For Catalysis And Separations, Stephen Vicchio

All Dissertations

Designing new catalytic and sorption materials is necessary to limit global temperature rise below 1.5 ◦C by 2050, while also meeting global energy demands. Climate change and energy production are not mutually exclusive; global population growth has direct impacts on global energy demands and climate. In both catalysis and adsorption applications, new technologies are needed to address these challenges. Catalysis can provide alternate, low-energy routes for converting low-value gases into higher-value chemical commodities, thus altering our current energy production. Likewise, new sorption materials can capture previously emitted CO₂ from decades of energy production from fossil fuels, thus helping to …

Synthesis And Characterization Of Colorimetric And Flurometric Chemosensor For Trivalent Metal Ions, Fazila Haque

Honors Program Theses and Research Projects

There are many biological and environmental uses for trivalent metals (like Fe3+, Al3+, and Cr3+) within our daily lives. Whether these trivalent metals are found in deficiency or excess can cause issues within our environment (global warming) or our bodies (can cause problems with our digestive, cardiovascular, and immune systems). Being able to detect them and understanding their importance becomes crucial in our understanding of the world that surrounds us.
One of the ways we can detect these trivalent metals is through the use of chemosensors. Chemosensors are used to sense analyte (trivalent metal) to produce a signal (fluorescence or …