Physical Sciences and Mathematics Commons^™

Electrodeposition Studies Of Gold Nanoparticles And Alginate Hydrogel Films., Harikrishnan Nambiathan Nambiar

Electronic Theses and Dissertations

This dissertation investigates the electrochemical deposition (ECD) and electrophoretic deposition (EPD) processes involving citrate (cit)-stabilized Au nanoparticles (NPs) and calcium alginate (Ca-Alg-Au NP) hydrogel films. The first part of the dissertation investigates the influence of NP size, surface area (SA) coverage, and ligand stabilizers on the electrochemical growth of Au on Au NPs, aiming to enhance our understanding of the growth process during the nucleation and growth of metal NPs. The growth kinetics depend on Au NP size (4 nm > 15 nm > 50 nm) for a constant SA coverage, as determined by the overpotentials for ECD. The growth rate increases …

Effects Of A Protection Zone In A Reaction-Diffusion Model With Strong Allee Effect., Isaac Johnson

Electronic Theses and Dissertations

A protection zone model represents a patchy environment with positive growth over the protection zone and strong Allee effect growth outside the protection zone. Generally, these models are considered through the corresponding eigenvalue problem, but that has certain limitations. In this thesis, a general protection zone model is considered. This model makes no assumption on the direction of the traveling wave solution over the Strong Allee effect patch. We use phase portrait analysis of this protection zone model to draw conclusions about the existence of equilibrium solutions. We establish the existence of three types of equilibrium solutions and the necessary …

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 …

Bayesian Strategies For Propensity Score Estimation In Causal Inference., Uthpala I. Wanigasekara

Electronic Theses and Dissertations

Causal inference is a method used in various fields to draw causal conclusions based on data. It involves using assumptions, study designs, and estimation strategies to minimize the impact of confounding variables. Propensity scores are used to estimate outcome effects, through matching methods, stratification, weighting methods, and the Covariate Balancing Propensity Score method. However, they can be sensitive to estimation techniques and can lead to unstable findings. Researchers have proposed integrating weighing with regression adjustment in parametric models to improve causal inference validity. The first project focuses on Bayesian joint and two-stage methods for propensity score analysis. Propensity score modeling …

Causal Inference For The Effect Of Continuous Treatment On Time-To-Event Outcomes And Mediation Analysis On Health Disparities In Observational Studies., Triparna Poddar

Electronic Theses and Dissertations

The dissertation comprises two projects related to causal inference based on observational data. In healthcare research, where abundant observational data such as claims data and electronic records are available, researchers often aim to study the treatment effect and the pathway of that effect. However, estimating treatment effects in observational data presents challenges due to confounding factors. The first project focuses on estimating continuous treatment effects for survival outcomes, while the second concentrates on mediation analysis, allowing the exploration of the pathway of the causal effect. Both projects involve addressing confounding variables. In the first project, I investigate estimation of the …

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 …

Intercalation And High-Pressure Investigations Of Black Arsenic Phosphorus: Unraveling Material Transformations., Dinushika Vithanage

Electronic Theses and Dissertations

Black arsenic phosphorus (b-As_yP_1-y) alloys have emerged as intriguing materials within the realm of two-dimensional (2D) materials, following the discovery of black phosphorus (BP). These alloys possess capability to overcome major limitations of BP and exhibit potential for tunability and enhancement of properties making them promising materials for a wide range of applications, including lithium-ion batteries. Inspired by the intriguing findings obtained for BP, this research focuses on understanding the structural modifications that can be achieved in b-As_yP_1-y alloys through the application of intercalation and high pressure. The initial phase of our investigation …

A Machine Learning Approach To Constructing Ramsey Graphs Leads To The Trahtenbrot-Zykov Problem., Emily Hawboldt

Electronic Theses and Dissertations

Attempts at approaching the well-known and difficult problem of constructing Ramsey graphs via machine learning lead to another difficult problem posed by Zykov in 1963 (now commonly referred to as the Trahtenbrot-Zykov problem): For which graphs F does there exist some graph G such that the neighborhood of every vertex in G induces a subgraph isomorphic to F? Chapter 1 provides a brief introduction to graph theory. Chapter 2 introduces Ramsey theory for graphs. Chapter 3 details a reinforcement learning implementation for Ramsey graph construction. The implementation is based on board game software, specifically the AlphaZero program and its …

A Data-Driven Multi-Regime Approach For Predicting Real-Time Energy Consumption Of Industrial Machines., Abdulgani Kahraman

Electronic Theses and Dissertations

This thesis focuses on methods for improving energy consumption prediction performance in complex industrial machines. Working with real-world industrial machines brings several challenges, including data access, algorithmic bias, data privacy, and the interpretation of machine learning algorithms. To effectively manage energy consumption in the industrial sector, it is essential to develop a framework that enhances prediction performance, reduces energy costs, and mitigates air pollution in heavy industrial machine operations. This study aims to assist managers in making informed decisions and driving the transition towards green manufacturing. The energy consumption of industrial machinery is substantial, and the recent increase in CO2 …

Statistical Inference On Lung Cancer Screening Using The National Lung Screening Trial Data., Farhin Rahman

Electronic Theses and Dissertations

This dissertation consists of three research projects on cancer screening probability modeling. In these projects, the three key modeling parameters (sensitivity, sojourn time, transition density) for cancer screening were estimated, along with the long-term outcomes (including overdiagnosis as one outcome), the optimal screening time/age, the lead time distribution, and the probability of overdiagnosis at the future screening time were simulated to provide a statistical perspective on the effectiveness of cancer screening programs. In the first part of this dissertation, a statistical inference was conducted for male and female smokers using the National Lung Screening Trial (NLST) chest X-ray data. A …

Statistical Methods For Assessing Treatment Effects On Ordinal Outcomes And Selecting Optimal Treatment On Survival Outcomes Using Observational Data., Huirong Hu

Electronic Theses and Dissertations

This dissertation consists of two projects investigating statistical methods in causal inference and personalized medication using observational data. In the first project, we propose a parametric marginal structural ordinal logistic regression model (MS-OLRM) to assess treatment effects on ordinal outcomes. Average treatment effect (ATE) is used to measure the difference of the mean outcomes if all patients would have been treated compared with the outcomes if they would not have been treated. Many statistical methods have been developed to estimate ATE when the outcome is continuous or binary. The methodology on assessing treatment effect for an ordinal outcome is less …

Stability Of Cauchy's Equation On Δ+., Holden Wells

Electronic Theses and Dissertations

The most famous functional equation f(x+y)=f(x)+f(y) known as Cauchy's equation due to its appearance in the seminal analysis text Cours d'Analyse (Cauchy 1821), was used to understand fundamental aspects of the real numbers and the importance of regularity assumptions in mathematical analysis. Since then, the equation has been abstracted and examined in many contexts. One such examination, introduced by Stanislaw Ulam and furthered by Donald Hyers, was that of stability. Hyers demonstrated that Cauchy's equation exhibited stability over Banach Spaces in the following sense: functions that approximately satisfy Cauchy's equation are approximated with the same level of error by functions …

Cannabidiol Tweet Miner: A Framework For Identifying Misinformation In Cbd Tweets., Jason Turner

Electronic Theses and Dissertations

As regulations surrounding cannabis continue to develop, the demand for cannabis-based products is on the rise. Despite not producing the psychoactive effects commonly associated with THC, products containing cannabidiol (CBD) have gained immense popularity in recent years as a potential treatment option for a range of conditions, particularly those associated with pain or sleep disorders. However, due to current federal policies, these products have yet to undergo comprehensive safety and efficacy testing. Fortunately, utilizing advanced natural language processing (NLP) techniques, data harvested from social networks have been employed to investigate various social trends within healthcare, such as disease tracking and …

Development And Applications Of Novel And Practical Fluorination Reagents., Yuhao Yang

Electronic Theses and Dissertations

The fluorine (F) atom has distinctive properties such as the highest electronegativity, small size, low polarizability, and strong C–F bond strength. Not surprisingly, fluorinated organic compounds have garnered significant attention in the pharmaceutical, agrochemical, and material fields. Since organofluorides are very rare in nature, we need fluorination reagents to help us transfer fluorine into the organic molecules. In past decades, a vast number of fluorination reagents have been developed and many of them are commercially available now. However, there is still much room for the improvement of these reagents. Our target is to develop novel and practical fluorination reagents to …

New Species Of Dryolestoid From The Late Cretaceous Allen Formation And Implications For South American Faunal Diversity., Brigid Erin Connelly

Electronic Theses and Dissertations

Dryolestoids are extinct cladotherians mammals from the Jurassic and Cretaceous periods. I describe a collection of dryolestoid specimens from the Late Cretaceous localities of Cerro Tortuga (Allen Formation), Anfiteatro 1, and Shining (both La Colonia Formation) from Patagonia, Argentina. Using comparative morphology, I identify a new species of meridiolestidan dryolestoid based on eleven specimens across both formations. The new species’ recovery from La Colonia Formation represents the first dryolestoid connection between the two approximately contemporaneous formations. The species’ morphology may represent an ecological shift within Meridiolestida from insectivory to herbivory, showing a transition in characters between the plesiomorphic sharp-toothed meridiolestidans …

Evaluating Chatgpt For Recommendation: How Does The Ability To Converse Impact Recommendation?, Kyle Spurlock

Electronic Theses and Dissertations

Recommendation algorithms have become an absolute necessity in the modern world to avoid information overload. However, the interaction between the human and the system is largely superficial and without any real contact. If you are given poor recommendations, you have no choice but to sift through mountains of content on your own until the model learns to accommodate your tastes more. This is bad for business as well as the consumer. Recently, large language models like ChatGPT have seen a significant rise in popularity due to their ease of use and wide range of knowledge. It has now become nearly …

New Methodologies For Sustainable Organic Synthesis In Water., Sudripet Sharma

Electronic Theses and Dissertations

Water is stable, benign, and green solvent. Its usage as a solvent in organic synthesis is significantly enhanced by micellar catalysis. However, replacing water as a reaction medium in organic synthesis is not sufficient to meet the sustainability challenges—excessive organic solvents are still required for product isolation and purification. Notably, solvents used in syntheses contribute to more than 80% of waste generation. In addition to solvents, the use of palladium in large amounts is also a problem for the future as it is a precious, low-abundance metal, and its supply is dwindling. Therefore, this dissertation highlights the various sustainable protocols …

Penalized Bayesian Exponential Random Graph Models., Vicki Modisette

Electronic Theses and Dissertations

Networks have the critical ability to represent the complex interconnectedness of social relationships, biological processes, and the spread of diseases and information. Exponential random graph models (ERGM) are one of the popular statistical methods for analyzing network data. ERGM, however, struggle with computational challenges and degeneracy issues, further exacerbated by their inability to handle high-dimensional network data. Bayesian techniques provide a promising avenue to overcome these two problems. This paper considers penalized Bayesian exponential random graph models with adaptive lasso and adaptive ridge penalties to perform variable selection and reduce multicollinearity on a variety of networks. The experimental results demonstrate …

Mechanism And Kinetics Of Photocatalytic Partial Oxidation Of Methane On Single Site Mox Reaction Centers., Clint Evrard

Electronic Theses and Dissertations

Single-site transition-metal doped photocatalysts are a class of materials in which small transition-metal oxide clusters are embedded onto the surface of zeolites, graphene, and bulk semiconductors. Experimental findings demonstrate that VO4, CrO4, NbO4, and WO4 clusters embedded on an MCM- 41 mesoporous amorphous SiO2 are effective photocatalysts for oxidative reactions. The selective direct partial oxidation of methane (POM) to form methanol is essential for efficiently utilizing natural gas. Photocatalytic methane oxidation has advantages over traditional thermal catalysis as it can be deployed at small-scale facilities to reduce methane release into the atmosphere due to flaring potentially. Our work has aimed …

Modeling, Simulation And Control Of Microrobots For The Microfactory., Zhong Yang

Electronic Theses and Dissertations

Future assembly technologies will involve higher levels of automation in order to satisfy increased microscale or nanoscale precision requirements. Traditionally, assembly using a top-down robotic approach has been well-studied and applied to the microelectronics and MEMS industries, but less so in nanotechnology. With the boom of nanotechnology since the 1990s, newly designed products with new materials, coatings, and nanoparticles are gradually entering everyone’s lives, while the industry has grown into a billion-dollar volume worldwide. Traditionally, nanotechnology products are assembled using bottom-up methods, such as self-assembly, rather than top-down robotic assembly. This is due to considerations of volume handling of large …

Structural, Magnetic, Electrical, Pseudocapacitive, And Electrocatalytic Properties Of Bilayered Ruddlesden-Popper Oxides., Chandana Kananke-Gamage

Electronic Theses and Dissertations

Ruddlesden Popper (RP) oxides are perovskite-derived functional materials with the general formula An-1Aʹ2BnO3n+1, where A/Aʹ is often a lanthanide or alkaline earth metal, and B is usually a transition metal. These materials contain perovskite-like connectivity, where BO6 units share apexes to form layers that are stacked above each other. The number of layers in each stack is represented by n in the above formula. The spaces between stacks are often occupied by lanthanide or alkaline-earth metals (Aʹ-site metals), which also reside in intra-stack spaces (A-site) between the octahedra. Oxide materials derived from perovskites have been studied for a wide range …

Development Of Nonorthogonal Wavefunction Theories And Application To Multistate Reaction Processes., Emily Kempfer

Electronic Theses and Dissertations

Many prominent areas of technological development rely on exploiting the photochemical response of molecules. An application of particular interest is the control of molecular switches through a combination of different external stimuli. However, despite significant advances in theoretical approaches and numerous cases of successful application of theory, simulating photochemical reactions remains a computational challenge. Theoretical methods for describing excited states can be broadly divided into single-reference response methods and multireference methods. Single reference methods provide reliable semiquantitative results for single excitations. However, these methods cannot describe double-excited states, systems with strongly correlated ground states, or regions of degeneracy on the …

Super P-Sulfur Cathodes For Quasi-Solid-State Lithium-Sulfur-Batteries., Milinda Bharatha Kalutara Koralalage

Electronic Theses and Dissertations

Lithium-Sulfur (Li-S) batteries have become a promising candidate to meet the current energy storage demand, with its natural abundance of materials, high theoretical capacity of 1672 mAhg-1, high energy density of 2600 Whkg-1, low cost and lower environmental impact. Sulfide based solid state electrolytes (SSEs) have received greater attention due to their higher ionic conductivity, compatible interface with sulfur-based cathodes, and lower grain boundary resistance. However, the interface between SSEs and cathodes has become a challenge in all solid-state Li-S batteries due to the rigidity of the participating surfaces. A hybrid electrolyte containing SSE coupled with a small amount of …

Mach And Froude Numbers On Mars., Camella-Rosa Nasr

Electronic Theses and Dissertations

Mars atmospheric global circulation models exhibit transonic jet streaks during
northern winter, which motivates this study of the Mach number, Ma (the ratio of
flow speed to the speed of sound), and the Froude number, Fr (the ratio of flow
speed to the speed of buoyancy waves), as a function of season and location. Two
global reanalyses spanning Mars Years (MY) 24 to 33 are used as input, EMARS
and OpenMARS. The study’s vertical coordinate is the isentropic variable potential
temperature, θ, ranging from θ = 125 to 1100 K, which corresponds to altitudes
ranging on average from z ≈ …

First Principles Study Of 2d Polar Heterostructures., Safia Abdullah R Alharbi

Electronic Theses and Dissertations

Recently, two-dimensional (2D) heterostructures have attracted extensive attention in nanomaterials science. They have been successfully fabricated and applied to nanotechnology in many fields, such as nanoelectronics, solar cells, sensors, energy stores, quantum information, etc. The most common heterostructures are 2D-lateral heterostructure (LH) and 2D-vertical heterostructure (VH) where each of them exhibits unique features depending on the direction of assembly, i.e., along in-plane or out-of-plane direction. Beyond the van der Waals-VH which possess of van der Waals (vdW) interaction, there are other types of heterostructures made of 2D polar materials that possess different types of chemical bonding nature, e.g., chemical bonds …

The Study Of Corrosion On Additive-Manufactured Metals., Braydan Daniels

Electronic Theses and Dissertations

The purpose of this study was to investigate and compare the corrosion mechanisms between wrought and additive-manufactured (3D-printed) copper and stainless steel. The experimental procedure consisted of measuring the open circuit potential, electrochemical impedance spectroscopy, linear sweep voltammetry, Tafel analysis, surface topology, and scanning electron microscopy for each metal within salt water, tap water, sulfuric acid, and synthetic body fluid (excluding copper in synthetic body fluid).

Overall, printed stainless steel was more corrosion-resistant than wrought stainless steel in tap water and synthetic body fluid based on OCP, LSV, and surface topology results. Additionally, printed copper was more corrosion-resistant than wrought …

Alpha, Beta-Unsaturated Aldehydes: The Underrepresented Markers Of Disease., Saurin Sutaria

Electronic Theses and Dissertations

The peroxidation of unsaturated fatty acids is a widely recognized metabolic process that creates a complex mixture of volatile organic compounds including aldehydes. Elevated levels of reactive oxygen species in cancer cells promote random lipid peroxidation, which leads to an increase in a variety of aldehydes. Many of these volatile aldehydes are exhaled and are of interest as potential markers of disease. Chapter 1 presents a review of reported aldehydes in the exhaled breath of lung cancer patients. alpha,beta-Unsaturated aldehydes, detected primarily when derivatized during exhaled breath preconcentration, are underreported in the reviewed articles. Chapter 1 concludes with our hypothesis …

Bayesian Methods For Graphical Models With Neighborhood Selection., Sagnik Bhadury

Electronic Theses and Dissertations

Graphical models determine associations between variables through the notion of conditional independence. Gaussian graphical models are a widely used class of such models, where the relationships are formalized by non-null entries of the precision matrix. However, in high-dimensional cases, covariance estimates are typically unstable. Moreover, it is natural to expect only a few significant associations to be present in many realistic applications. This necessitates the injection of sparsity techniques into the estimation method. Classical frequentist methods, like GLASSO, use penalization techniques for this purpose. Fully Bayesian methods, on the contrary, are slow because they require iteratively sampling over a quadratic …

The Role Of Generative Adversarial Networks In Bioimage Analysis And Computational Diagnostics., Ahmed Naglah

Electronic Theses and Dissertations

Computational technologies can contribute to the modeling and simulation of the biological environments and activities towards achieving better interpretations, analysis, and understanding. With the emergence of digital pathology, we can observe an increasing demand for more innovative, effective, and efficient computational models. Under the umbrella of artificial intelligence, deep learning mimics the brain’s way in learn complex relationships through data and experiences. In the field of bioimage analysis, models usually comprise discriminative approaches such as classification and segmentation tasks. In this thesis, we study how we can use generative AI models to improve bioimage analysis tasks using Generative Adversarial Networks …

Alkylthiocarbamate Metal Complexes With Antiproliferation Activity., Kritika Bajaj

Electronic Theses and Dissertations

Bis(thiosemicarbazones) (BTSCs) and their metal complexes have been extensively studied for various applications including catalysis for hydrogen evolution reactions, treatment of neurodegenerative diseases, hypoxia imaging, and a wide range of pharmacological purposes including antitumor, antiviral, antibacterial, and antifungal agents. The paramount property that makes BTSC metal complexes interesting for their use in these applications is the reduction potential of the coordinated metal, which can be selectively tuned by varying the substituents present on the ligand framework. Although the BTSCs have shown a great deal of success as potential cancer therapeutic agents, they lack selectivity towards cancer cells. For this matter, …