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 …

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 …

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 …

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 …

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 …

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 …

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 …

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 …

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 …

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), …

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 …

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, …

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. …

Synthesis Of Bacterial Glycerophospholipids For Biomembrane Model Studies: A Means To Advanced Biofuels, Felix Adulley

Electronic Theses and Dissertations

To reduce reliance on fossil fuels, sustainable biofuels are being pursued, especially advanced biofuels like 1-butanol that have higher energy content and greater compatibility with existing infrastructure than ethanol. A persistent challenge is the yield-limiting toxicity of biofuels and process solvents, such as tetrahydrofuran, to the microbes that ferment biomass into biofuel. The cell membrane is a focal point of toxicity, and understanding how it interacts with fuels and solvents is key to improving yield. Phospholipid bilayers are the core of biomembranes, and model biomembranes of defined composition provide the ideal platform for biophysical studies. To this end, glycerophospholipids characteristic …

Designing And Studying Redox-Active Molecules For Energy Storage And Desalination, Wenda Wu

All Graduate Theses and Dissertations, Fall 2023 to Present

Since the fast growth of the global population, energy scarcity has become a new threat to modern society. Those commonly seen resources like fossil, coal, and natural gas are nonrenewable energies, which cannot be replenished by human-scale time. In contrast, wind, solar, and hydropower are the three main renewable green energies under development with great efforts around the world. However, the intermittent character of these powers raises a new question: how to store them properly on large scales? By 2021, more than 90% of the electricity storage was taken by Lithium-ion batteries (LIBs). The usage of lithium brings concerns about …

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 Of Block Copolymer Additives For Examining Phase Morphology And Improving Mechanical Properties Of Thermoplastics Elastomers., Bishal Upadhyay

Masters Theses

Polystyrene-block-poly(1,4-butaidene)-block-polystyrene (PS-PB-PS) triblock copolymers are one of the most widely studied thermoplastic elastomers (TPEs) due to their ease of synthesis, non-polar nature, and commercial applicability. Like many block copolymers, incompatibility between PS and PB causes these TPEs to undergo microphase segregation. Many studies have examined the mechanical properties of blends of TPEs and PS homopolymer additives. However, there have been few studies focused on understanding the morphology and mechanical properties of blends of TPEs and copolymer additives with different architectures. Herein, I describe the synthesis of linear and graft copolymer additives based on the random copolymers poly(methyl methacrylate-random-cyclohexyl methacrylate) (PrC). …

Computational Study About Noncovalent Bonding Systems Involving Halogen, Chalcogen And Pnicogen Bonds, Jia Lu

All Graduate Theses and Dissertations, Fall 2023 to Present

First terms used in this thesis are introduced and defined as follows. In the periodic table, the elements in the 17^th column are named halogen including fluorine (F), chlorine (Cl), bromine (Br) and iodine (I). The elements in the 16^th column are named chalcogen including oxygen (O), sulfur (S), selenium (Se) and tellurium (Te). The elements in the 15^th column are named pnicogen including nitrogen (N), phosphorus (P), arsenic (As) and antimony (Sb).

After hydrogen bonds (B-H⋅⋅⋅B) are well studied and understood by scientists and researchers, halogen bonds (R-X⋅⋅⋅B) have drawn attention due to the similarities in …

Quantification Of Dye Degradation On Titanium Dioxide-Based Membranes, Elizabeth Carol Wood

Graduate Theses and Dissertations

The purpose of this study was to examine the dye degradation on the titanium dioxide (TiO2)-based membranes. While many studies have shown photocatalytic degradation of dye on TiO2 in solution, few studies have been reported on the solid TiO2 substrate. In this work, a new method is developed to quantify the dye degradation on TiO2-based membranes. A hydrothermal method is used to synthesize the photocatalytic TiO2 nanofibers; vacuum filtration is applied to fabricate a self-assembled membrane. Silver is incorporated into the nanofibers through in situ reduction before vacuum filtration to fabricate Ag/TiO2 membrane in an attempt to red shift the …

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 …

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 …

Electrolysis Degradation Of Cyanuric Acid In Wastewater At Cu/Go Cathodes, Chioma Chinwe Nwakanobi

Theses and Dissertations

This work evaluates the development of electrochemical processes for the oxidative degradation of persistent organic chemicals in waste waters, specifically the oxidation of cyanuric acid in the presence of NaCl at Cu/GO cathodes and Ti anodes. The experiment used a graphene oxide doped copper mesh cathode to examine different concentrations of cyanuric acid (30 mg/L, 40 mg/L, and 50 mg/L) and various concentrations of NaCl electrolyte (0.007mol/L, 0.03mol/L, 0.07mol/L, 0.1mol/L, and 0.2mol/L). In addition, the effect of pH (2, 4, 6, and 8), and applied current (0.200A, 0.150A and 0.100A) were studied. The Cu/GO electrode played a central role in …

Chemical Investigation Of Dichloromethane Extract Of Aloe Vera Peels: An Agricultural Waste, Nazmul Huda

Theses and Dissertations

Aloe barbadensis Miller, commonly called Aloe Vera, is a widely popular succulent plant species cultivated across subtropical regions worldwide from India to the Tex-Mex border. Besides its historical uses, Aloe juice has garnered attention as a potential remedy for various ailments, particularly in treating various skin conditions and facilitating wound recovery, including obesity, diabetes, hepatitis, Crohn's disease, and ulcerative colitis. Regrettably, the agricultural practice following sap extraction involves discarding Aloe vera peels, constituting agricultural waste. As part of our continuous research on extraction, isolation, separation, and spectral characterization of value-added chemicals present in waste botanicals herein, …