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Settingsorder Article Reprints Open Accessarticle A Model To Account For The Effects Of Load Ratio And Hydrogen Pressure On The Fatigue Crack Growth Behavior Of Pressure Vessel Steels, Ashok Saxena, Kip O. Findley

Mechanical Engineering Faculty Publications and Presentations

A phenomenological model for estimating the effects of load ratio R and hydrogen pressure P_H2 on the hydrogen-assisted fatigue crack growth rate (HA-FCGR) behavior in the transient and steady-state regimes of pressure vessel steels is described. The "transient regime" is identified with crack growth within a severely embrittled zone of intense plasticity at the crack tip. The "steady-state" behavior is associated with the crack growing into a region of comparatively lower hydrogen concentration located further away from the crack tip. The model treats the effects of R and P_H2 as being functionally separable. In the transient …

Stimuli-Responsive Phosphate Hydrogel: A Study On Swelling Behavior, Mechanical Properties, And Application In Expansion Microscopy, Yokly Leng, Collin N. Britten, Fatema Tarannum, Kayla Foley, Christopher Billings, Yingtao Liu, Keisha B. Walters

Chemical Engineering Faculty Publications and Presentations

Phosphorus-based stimuli-responsive hydrogels have potential in a wide range of applications due to their ionizable phosphorus groups, biocompatibility, and tunable swelling capacity utilizing hydrogel design parameters and external stimuli. In this study, poly(2-methacryloyloxyethyl phosphate) (PMOEP) hydrogels were synthesized via aqueous activators regenerated by electron transfer atomic transfer radical polymerization using ascorbic acid as the reducing agent. Swelling and deswelling behaviors of PMOEP hydrogels were examined in different salt solutions, pH conditions, and temperatures. The degree of swelling in salt solutions followed CaCl₂ < MgCl₂ < KCl < NaCl with a decrease in swelling rate at higher concentrations until reaching a saturation point. In water, the degree of swelling increased significantly around neutral pH and remained constant at basic pH values. The effects of polymerization conditions, including pH, temperature (30, 40, 50 °C), and MOEP concentration (40, 50, 60% v/v MOEP/H₂O), on the hydrogel swelling behavior in various salt solutions were also investigated. PMOEP hydrogels …

Elevating Commodity Polymers To Advanced Applications In Polymer Photonics And Polymer-Derived Porous Materials, Mark Robertson

Dissertations

Since the inception of synthetic polymers, polymer-derived materials have permeated into essentially all aspects of our daily lives. The most commonly thought of examples of polymer materials involve single-use, disposable products to increase shelf lives of perishable items, act as personal protective equipment, or provide some degree of convenience for the consumer. However, as we have furthered our understanding of polymer chemistry and polymer physics to develop increasingly sophisticated polymer systems, polymer materials have been employed in incredibly advanced applications. These include solid electrolytes for energy storage, matrices for aerospace grade carbon fiber-reinforced composites, membranes for liquid and gas separations, …

Catalytic Hydrogenation Of Co2 In Water And Ionic Liquids Using Platinum On Carbon, Kristin Collins

Masters Theses & Specialist Projects

Platinum-on-carbon (Pt/C) is a commercially-available catalyst that has been used in the literature to benchmark the performance of catalysts produced using platinum/cobalt alloy nanoparticles. Initially, we intended to build upon this example by synthesizing shape-controlled platinum/cobalt alloy nanoparticles in ionic liquids and compare their ability to catalyze the hydrogenation of CO₂ to methanol against Pt/C as a benchmark, with the idea that ionic liquids may improve catalysis. However, we found that Pt/C was unable to catalyze the hydrogenation of CO₂ to methanol. In an attempt to track the source of this discrepancy, Pt/C was characterized using thermogravimetric analysis …

Functional Electrolytes Designing And Studying For Lithium Metal And Non-Aqueous Zinc Metal Batteries, Liping Zhang

All Graduate Theses and Dissertations, Fall 2023 to Present

Our current energy policy relies heavily on burning fossil fuels, raising serious concerns due to CO₂-related global warming. Consequently, significant progress is being made in pursuing renewable and green energy sources, such as solar, wind, and geothermal energy. These renewable energies require rechargeable batteries as energy storage systems to compensate for their intermittent nature.

Over the decades, lithium-ion batteries (LIBs) have become the dominant power sources for portable electronic devices. Current LIBs rely on graphite anodes with a limited theoretical capacity (372 mAh g^-1), which restricts their advanced applications. Li metal (Li⁰) anodes, with …

Design Of Engineered Nanomaterials For Pfas Adsorption And Catalytic Degradation From Relevant Environmental Conditions, Sheng Yin

Open Access Theses & Dissertations

Poly- and per-fluoroalkyl substances (PFAS) are a class of artificially made chemicals whose carbon chains are fully or partially fluorinated. Due to their persistent and pervasive distribution and their adverse effects on human health, the removal of PFAS from the environment has been the focus of current research. This project explores the use of engineered nanomaterials for the effective removal of PFAS through various adsorption and catalytic degradation methods. First, a comprehensive review of recent studies highlights the significant potential of various nanomaterials, including carbon-based, non-metal, single-metal, and multi-metal nanomaterials, for PFAS remediation. These materials are evaluated for their performance, …

Studies Of Exotic Electronic, Optical, And Electrochemical Properties In Nanoparticle Assembly And Graphene, Jay Min Lim

Department of Mechanical and Materials Engineering: Dissertations, Theses, and Student Research

It is well known that exotic properties and phenomena emerge as structural dimensions shrink to nanoscales. We self-assembled one-dimensional chains of gold nanoparticles in solution and quantified the growth process by monitoring the redshift of localized surface plasmon resonance (LSPR). Curiously, the redshift stopped while the chains continued to rearrange as manifested by gradual reduction in the LSPR peak. Using electromagnetic simulations, we quantitatively explained the phenomena as a rapid “addition-polymerization” followed by a sharp transition to “condensation-process.” Next, recognizing the significant electric field enhancement in the interparticle gap, a photoluminescent-active Eu³⁺ ion was used to probe Surface-Enhanced Photoluminescence …

Structure-Function Relationships In Neurodegenerative And Infectious Diseases: Biophysical Characterization Of Rna Secondary Structures By Computational Techniques, Kendy Guarinoni

Electronic Theses and Dissertations

The research described in this dissertation focuses on the investigation of the structure and dynamics of regions of RNA implicated in two diseases: COVID-19 and amyotrophic lateral sclerosis/frontotemporal dementia (ALS/FTD). Both studies sought to create experimentally corroborated models that were used to characterize the structure and dynamics of the C9orf72 repeat expansion and the s2m region in coronaviruses, respectively and provided the foundation for future work. In our work involving the s2m region of SARS-CoV-2, the virus responsible for COVID-19, we determined that the homology modeling approach commonly used to derive atomistic structures when no coordinates are available yields a …

Understanding And Tuning Magnetism In Van Der Waals-Type Metal Thiophosphates, Rabindra Basnet, Jin Hu

Physics Faculty Publications and Presentations

Over the past two decades, significant progress in two-dimensional (2D) materials has invigorated research in condensed matter and material physics in low dimensions. While traditionally studied in three-dimensional systems, magnetism has now been extended to the 2D realm. Recent breakthroughs in 2D magnetism have attracted substantial interest from the scientific community, owing to the stable magnetic order achievable in atomically thin layers of the van der Waals (vdW)-type layered magnetic materials. These advances offer an exciting platform for investigating related phenomena in low dimensions and hold promise for spintronic applications. Consequently, vdW magnetic materials with tunable magnetism have attracted significant …

Crystal Structure Of A Tris-(2-Aminoethyl)Methane Capped Carbamoylmethylphosphine Oxide Compound, Brandon G. Wackerle, Eric J. Werner, Richard J. Staples, Shannon Biros

Open Access Publishing Support Funded Articles

The mol­ecular structure of the tripodal carbamoyl­methyl­phosphine oxide compound diethyl {[(5-[2-(di­eth­oxy­phosphor­yl)acetamido]-3-{2-[2-(di­eth­oxy­phos­phor­yl)acetamido]­eth­yl}pent­yl)carbamo­yl]meth­yl}phospho­nate, C25H52N3O12P3, features six intra­molecular hydrogen-bonding inter­actions. The phospho­nate groups have key bond lengths ranging from 1.4696 (12) to 1.4729 (12) Å (P=O), 1.5681 (11) to 1.5811 (12) Å (P—O) and 1.7881 (16) to 1.7936 (16) Å (P—C). Each amide group adopts a nearly perfect trans geometry, and the geometry around each phophorus atom resembles a slightly distorted tetra­hedron.

Mixed Quantum/Classical Theory (Mqct) Approach To The Dynamics Of Molecule–Molecule Collisions In Complex Systems, Carolin Joy, Bikramaditya Mandal, Dulat Bostan, Marie-Lise Dubernet, Dmitri Babikov

Chemistry Faculty Research and Publications

We developed a general theoretical approach and a user-ready computer code that permit study of the dynamics of collisional energy transfer and ro-vibrational energy exchange in complex molecule–molecule collisions. The method is a mixture of classical and quantum mechanics. The internal ro-vibrational motion of collision partners is treated quantum mechanically using a time-dependent Schrödinger equation that captures many quantum phenomena including state quantization and zero-point energy, propensity and selection rules for state-to-state transitions, quantum symmetry and interference phenomena. A significant numerical speed up is obtained by describing the translational motion of collision partners classically, using the Ehrenfest mean-field trajectory approach. …

Antimicrobial And Chemical Characterization Of Cold Atmospheric-Pressure Plasmas, Dalton Albert Miller

Boise State University Theses and Dissertations

Microbial contamination of food processing facilities is a major cause of human disease and economic loss. There are approximately 48,000,000 cases of foodborne illness in the United States annually, leading to 128,000 hospitalizations and 1,300 deaths. The total economic damages are estimated at $36 billion each year, including productive hours, medical expenses, and the disposal of contaminated foodstuffs. Current methods to reduce contamination on food processing surfaces utilize steam or concentrated chemicals (hydrogen peroxide, hypochlorite, strong acids, strong bases) that are hazardous to workers and required large volumes of water to remove prior to resuming contact with food. Ongoing outbreaks …

Single Charge Carrier Dynamics In A Single Polymer Chain, Ming Lei

All Dissertations

Understanding how charge carrier move through conjugated polymers is crucial for optimizing the functionality and efficiency of various applications, from organic solar cells and light-emitting diodes (LEDs) to field-effect transistors. Previous studies have demonstrated that tracking the fluorescence centroid displacement provides a method to determine the position of single charge carriers in a conjugated polymer nanoparticle. This method allows the observation of charge carrier trajectories over time and allow researchers to obtain insights into the dynamic processes. In addition, a detailed map of the energy landscape can be constructed by analyzing the fluorescence spectrum. These techniques were previously applied to …

Metal Assisted O2-Dependent Carbon-Carbon Bond Cleavage Of Β-Diketones And Flavonols, Stephen N. Anderson

All Graduate Theses and Dissertations, Fall 2023 to Present

Almost everything we interact with on a daily basis has been synthesized by chemists ranging from plastics, food preservatives, and medications. The diversity of synthetic molecules are achieved by the formation of new bonds between existing molecules and/or through the cleaving of bonds found in a molecule. There are uncountable amount of conditions reported to facilitate chemical reactions which all depend on the nature of molecules being used and the environment it is used in.

In recent years, more attention has been paid to identify chemical reactions that can use more environmentally favorable conditions and reduce the use of limited …

Differential Behavior Of Conformational Dynamics In Active And Inactive States Of Cannabinoid Receptor 1, Ugochi H. Isu, Adithya Polasa, Mahmoud Moradi

Chemistry & Biochemistry Faculty Publications and Presentations

Cannabinoid receptor 1 (CB1) is a G protein-coupled receptor that regulates critical physiological processes including pain, appetite, and cognition. Understanding the conformational dynamics of CB1 associated with transitions between inactive and active signaling states is imperative for developing targeted modulators. Using microsecond-level all-atom molecular dynamics simulations, we identified marked differences in the conformational ensembles of inactive and active CB1 in apo. The inactive state exhibited substantially increased structural heterogeneity and plasticity compared to the more rigidified active state in the absence of stabilizing ligands. Transmembrane helices TM3 and TM7 were identified as distinguishing factors modulating the state-dependent dynamics. TM7 …

Recent Advances In Magnetic Feˣ⁺/Tio₂ Microfibers For Wastewater Treatment As Climate Change Mitigation, Misriani Misriani, Yang Tian, Z. Ryan Tian

Chemistry & Biochemistry Faculty Publications and Presentations

Chemical dyeing and finishing processes used in the clothing and textile industries are among the main contributors that can increase the impact of climate change. Photocatalysis using nanosized titanium dioxide (TiO₂) has been continuously developed as a promising technology for purifying dye wastewater into simpler and environmentally friendly components. In addition, the decoration of iron cations (Fe²⁺) and (Fe³⁺) increases the reusability of the photocatalyst due to their magnetic properties, which are easy to collect for the recycling process. Magnetic Fe^x+/TiO₂ microfibers have been successfully prepared using a hydrothermal method using …

Modeling Study Of Si3N4 Waveguides On A Sapphire Platform For Photonic Integration Applications, Diandian Zhang, Shui-Qing Yu, Gregory J. Salamo, Richard A. Soref, Wei Du

Electrical Engineering and Computer Science Faculty Publications and Presentations

Sapphire has various applications in photonics due to its broadband transparency, high-contrast index, and chemical and physical stability. Photonics integration on the sapphire platform has been proposed, along with potentially high-performance lasers made of group III–V materials. In parallel with developing active devices for photonics integration applications, in this work, silicon nitride optical waveguides on a sapphire substrate were analyzed using the commercial software Comsol Multiphysics in a spectral window of 800~2400 nm, covering the operating wavelengths of III–V lasers, which could be monolithically or hybridly integrated on the same substrate. A high confinement factor of ~90% near the single-mode …

Performance And Enhanced Efficiency Induced By Cold Plasma On Sapo-34 Membranes For Co2 And Ch4 Mixtures, Fnu Gorky, Vashanti Storr, Grace Jones, Apolo Nambo, Jacek B. Jasinski, Maria L. Carreon

Chemical Engineering Faculty Publications and Presentations

In this study, we investigate the influence of cold-plasma-induced enhanced performance and efficiency of SAPO-34 membranes in the separation of CO₂ and CH₄ mixtures. Placing the herein presented research in a broader context, we aim to address the question of whether cold plasma can significantly impact the membrane performance. We subjected SAPO-34 membranes to plasma mild disturbances and analyzed their performance in separating CO₂ and CH₄. Our findings reveal a notable enhancement in membrane efficiency and sustained performance when exposed to cold plasma. The pulsed plasma separation displayed improved structural integrity, and the experimental results …

Characterizing Gsk3Β Interaction And Kinetics Via Isothermal Titration Calorimetry, W A Bhagya De Silva

UNLV Theses, Dissertations, Professional Papers, and Capstones

Glycogen synthase kinase 3β (GSK3β) is a multifunctional serine/threonine kinase involved in several key signaling pathways, including glycogen metabolism, WNT/β-catenin, and Hedgehog signaling. Hyperactivity of GSK3β has been linked to Alzheimer’s disease, bipolar disorder, type II diabetes, and some cancers. Therefore, GSK3β is of interest as a target for therapeutics. Lithium ion (Li+) is a classical inhibitor of GSK3β. Structurally similar beryllium ion (Be2+) is ~1000-fold more potent. Lithium and beryllium have demonstrated pathway-specific and cell type-specific inhibition of GSK3β, prompting an investigation into the inhibitory mechanisms and thermodynamic characteristics of the metal-enzyme interaction.Isothermal titration calorimetry (ITC) is a label-free …

Effects Of Antifreeze Proteins On Lipid Membrane Stabilization At Cold Temperatures, Emily Vernon

Boise State University Theses and Dissertations

Cold-adapted organisms use antifreeze proteins (AFPs) and antifreeze glycoproteins (AFGPs) to enable survival in freezing habitats. AF(G)Ps have been proposed to prevent leakage of intracellular metabolites by stabilizing cellular membranes, a property that could be of great physiological and biomedical relevance. The generality of this effect is not understood, and for the known examples of membrane leakage prevention by AF(G)Ps, the mechanisms remain unclear. Here, we report a comprehensive evaluation of the effects of different AFPs on the leakage of ions and dyes from model membrane systems. We find that leakage is best prevented by AFGPs, while insect AFPs showed …

Synthesis And Characterization Of Medicinally Privileged Aza Heterocycles, Nneoma James

Theses and Dissertations

Four-membered cyclic amides, commonly known as β-lactams, have played a crucial role in drug discovery research since its discovery by Alexander Fleming in 1928 from Penicillium notatum. The β-lactam antibiotics are broadly effective against several bacterial infections through acylating the transpeptidase involved in cross-linking peptides to form peptidoglycan or periplasmic murein, which is a fundamental constituent of the bacterial cell wall for both the gram-positive (ten or more layers) and gram-negative (one or two layers) bacteria. Although for more than eight decades, β-lactams have been recognized as antibiotics, later, other medicinal activities of β-lactam derivatives have been reported, including lowering …

Chemical Investigation Of The Ethanol Extract Of Tillandsia Usneoides (Spanish Moss), Jakir Hossain

Theses and Dissertations

Tillandsia usneoides in epiphytic bromeliads takes up water through absorptive trichomes on the shoot surface under extreme environmental conditions. Although previous studies revealed the way by which T. usneoides absorbs water and prevents water loss, its water transport remains unclear. Uses of T. usneoides L. have been documented going back to pre-Columbian and late archaic societies. Between the 1800s and 1900s. T. usneoides was utilized in fruit packing and polish, among other industrial goods. In terms of medicine, tillandsia is well-known for treating leucorrhea, rheumatism, ulcers, hemorrhoids, and as an anti-diabetic, emetic, analgesic, purgative, antispasmodic, and diuretic. The chemical composition …

Electrocatalytic Reduction Of Hydrogen Peroxide At Paraffin-Sealed Nitrogen-Doped Carbon Fiber Ultramicroelectrodes, Yakubu Gausu Mohammed

Electronic Theses and Dissertations

Compared to unmodified carbons and even some metal materials, nitrogen-doped carbons have been found to exhibit better performance for reducing oxygen-oxygen bonds, a key step in electroreduction of both O₂ (an important reaction in energy applications) and H₂O₂ (an important reaction in sensing and biosensing). Previous studies from our lab revealed that thermal decomposition of urea in the presence of carbon fiber (CF) results in N-doped that exhibited good electrocatalytic properties for H₂O₂ reduction. However, previous methods of sealing ultramicroelectrodes (UMEs) made from N-doped CF using laser heating of borosilicate capillaries and epoxy …

Assessing The Reactivity Of Amino Acids To Chlorination Using Capillary Electrophoresis, Pedro De Allende

Electronic Theses, Projects, and Dissertations

Amino acids (AA) are ubiquitous in wastewater systems. One of the most popular wastewater treatments is chlorination which is effective at eradicating bacteria and overall treating the wastewater, but it can also produce disinfection by-products (DBPs). Certain DBPs have been classified as Class B Carcinogens to humans and are therefore highly regulated and monitored. Past studies have shown that natural organic matter (NOM), specifically amino acids, can be precursors to DBPs if chlorinated to the correct dose. This thesis project explored AA chlorination's mechanism(s) to understand further which products arise. In particular, the investigation detailed which steps of the mechanism …

Assessment Of Tce And Chiral Pcb Dechlorination Rate, Congener Diversity, And Enantioselectivity In Town Creek, Sc, Usa Sediment Microcosms, Catherine P. Sumner

All Dissertations

Polychlorinated biphenyls (PCBs) and trichloroethene (TCE) are ubiquitous contaminants and are recognized as persistent organic pollutants due to their extreme chemical stability. PCBs were manufactured by chlorinating biphenyls that created 209 congeners with various structures, of which 19 are chiral and can exist as a pair of stable atropisomers. PCBs have been known to cause developmental and neurological toxicity in humans and wildlife; they can act as endocrine disrupters, carcinogens, and teratogens. Sangamo Weston Inc. was an industrial plant located near Town Creek in Pickens Country, South Carolina, that manufactured capacitors and used Aroclors 1016 and 1254 as dialectic fluids …

La1-Xsrxcoo3 Perovskite: Antimicrobial Properties And Pvdf Based Piezoelectric Nanogenerator For Energy Storage Through Self-Induced Polling, S M. Anyet Ullah Shohag

Theses and Dissertations

Piezoelectric Nanogenerators (PENGs), which can produce electrical energy from mechanical energy via ferroelectric effect, are one of the ambient sources of green energy. PENGs have gathered a huge attention due to cost-effectiveness, mechanical stability, and easy installation process. In this experiment, different weight percent of Sr2+ doped Lanthanum Cobaltite (La1- XSrXCoO3) perovskite, a ferroelectric material, was synthesizes by using a simple combination of sol-gel and molten-salt process and then characterization by X-ray diffraction, and scanning electron microscopy ensures the uniform morphology of nano cubes. Poly (vinylidene difluoride) (PVDF), N,N-dimethylformamide and acetone solution were used to make a flexible film using …

Experimental And Theoretical Investigation Of The Coordination Of 8-Hydroxquinoline Inhibitors To Biomimetic Zinc Complexes And Histone Deacetylase 8 (Hdac8), Anthony M. Baudino, Harris F. Ciaccio, Michael J. Turski, Xavier A. Akins, Phoebus Sun Cao, Elisa Morales, Roger D. Sommer, Adam R. Johnson, Donald J. Wink, Kyle A. Grice, Kari Stone

Chemistry Department Faculty Articles

Zinc is integral to diverse biological functions, acting catalytically, structurally, and supportively in essential enzyme cycles, despite its limited amounts in the body. Targeting zinc enzymes with potent drugs, such as Vorinostat, demonstrates the therapeutic efficacy of zinc-binding ligands, notably in cutaneous T-cell lymphoma treatments. Our study merges experimental and theoretical approaches to analyze the coordination of 8-hydroxylquinoline (8HQ) inhibitors with biomimetic zinc complexes and human histone deacetylase 8 (HDAC8), a monozinc hydrolase enzyme. Assessing 10 8HQ derivatives for structural and electronic characteristics against these models, we observe minimal inhibition efficacy, corroborated through protein–ligand docking analyses, highlighting the complexities of …

Method Development For The Quantification Of Critically Valuable Elements In Permian Basin Produced Waters, Carley Oliver

Open Access Theses & Dissertations

Produced waters (PW) are a major byproduct of the oil and gas industrial hydraulic fracturing processes that create a major waste disposal issue with a need for disposal, treatment, and reuse method developments. The current primary disposal method is subsurface injection, which can lead to high pressures in the subsurface. PWs are often highly saline from mineral leaching due to long residence in subsurface reservoirs. According to the USGS National Minerals Information Center, bromine, calcium chloride, iodine, lithium, magnesium, and sodium chloride have been found in and extracted from these domestic subsurface brines, suggesting that there may be other economically …

Computational Models That Exploit Spatial, Temporal, And Voltage-Current Relationships In The Electrochemical Generation-Collection Of Redox-Active Molecules, Miguel Angel Abrego Tello

Graduate Theses and Dissertations

The numerical studies in this dissertation explore the application of redox cycling, an advanced electrochemical technique, for analyzing bioelectrochemical systems with a particular focus on small-volume samples and involves electrodes that can be activated to oxidize and reduce, separated by varying distances and featuring different geometries. The redox cycling approach facilitates the spatio-temporal interrogation of kinetics, mass transport, and the quantification and identification of chemical systems. We optimize a previously fabricated neural probe design on an SU-8 substrate, featuring coplanar arrays of nine microband electrodes suited for in vivo applications. Through comprehensive in situ and in silico redox cycling studies …

Studying The Chemistry-Property Relationship In Magnetic And Optical Materials: Spin S = 3/2 Systems Of Neodymium, Manganese, And Cobalt Oxyanions, Xudong Huai

All Dissertations

This dissertation describes the design and tunability of new magnetic and optical materials, emphasizing the intricate relationship between their crystal structures and their optical, electronic, and magnetic properties.

Two new frustrated magnets, ANd(SO₄)₂ (A = Rb, Cs), were designed and synthesized to examine the influence of the the counter cation A site in Nd lanthanide materials featuring a distorted triangular magnetic lattice with S = 3/2. This work demonstrates how the tunability of magnetic and photoluminescent properties can be achieved through the A sites, with findings validated through density functional theory calculations.

AMnTeO₆ (A = Ca, …