Physical Sciences and Mathematics Commons^™

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, …

Dimension And Ramsey Results In Partially Ordered Sets., Sida Wan

Electronic Theses and Dissertations

In this dissertation, there are two major parts. One is the dimension results on different classes of partially ordered sets. We developed new tools and theorems to solve the bounds on interval orders using different number of lengths. We also discussed the dimension of interval orders that have a representation with interval lengths in a certain range. We further discussed the interval dimension and semi dimension for posets. In the second part, we discussed several related results on the Ramsey theory of grids, the results involve the application of Product Ramsey Theorem and Partition Ramsey Theorem

A New Sir Model With Mobility., Ciana Applegate

Electronic Theses and Dissertations

In this paper, a mobility-based SIR model is built to understand the spread of the pandemic. A traditional SIR model used in epidemiology describes the transition of particles among states, such as susceptible, infected, and recovered states. However, the traditional model has no movement of particles. There are many variations of SIR models when it comes to the factor of mobility, the majority of studies use mobility intensity or population density as a measure of mobility. In this paper, a new dynamical SIR model, including the spatial motion of three-type particles, is constructed and the long-time behavior of the first …

Cross-Validation For Autoregressive Models., Christina Han

Electronic Theses and Dissertations

There are no set rules for choosing the lag order for autoregressive (AR) time series models. Currently, the most common methods employ AIC or BIC. However, AIC has been proven to be inconsistent and BIC is inefficient. Racine proposed an estimator based on Shao's work which he hypothesized would also be consistent, but left the proof as an open problem. We will show his claim does not follow immediately from Shao. However, Shao offered another consistent method for cross validation of linear models called APCV, and we will show that AR models satisfy Shao's conditions. Thus, APCV is a consistent …

Reduced Fuel Emissions Through Connected Vehicles And Truck Platooning, Paul D. Brummitt

Electronic Theses and Dissertations

Vehicle-to-infrastructure (V2I) and vehicle-to-vehicle (V2V) communication enable the sharing, in real time, of vehicular locations and speeds with other vehicles, traffic signals, and traffic control centers. This shared information can help traffic to better traverse intersections, road segments, and congested neighborhoods, thereby reducing travel times, increasing driver safety, generating data for traffic planning, and reducing vehicular pollution. This study, which focuses on vehicular pollution, used an analysis of data from NREL, BTS, and the EPA to determine that the widespread use of V2V-based truck platooning—the convoying of trucks in close proximity to one another so as to reduce air drag …

Loggerhead Shrike Detectability And Occurrence In Coastal South Carolina Urban Areas, Michelle Krauser

Electronic Theses and Dissertations

Grassland birds, such as the loggerhead shrike (Lanius ludovicianus), are threatened by extensive land-use change, including urbanization. Loggerhead shrikes have been declining since the early 1900s and are rare or extirpated in portions of their former range. Obtaining reliable population estimates of loggerhead shrikes is important to identify demographic trends and ensure conservation decisions are based on an accurate assessment of their current status. Imperfect detection, or the inability to detect every shrike during a survey, can result in biased population estimates. Estimating detection probability is labor-intensive and requires assumptions that are difficult to satisfy in most field studies. Understanding …

Steps Toward The Total Synthesis Of The Chrysosporazine Family, Katie Kaczynski

Electronic Theses and Dissertations

Cancer is one of the leading causes of death worldwide, with 19.3 million new cancer cases and 10 million deaths in 2020 alone. In the United States, cancer was the second leading cause of death after heart disease. One of the reasons that cancer is so frequently terminal is that cancerous cells frequently develop multidrug resistance (MDR) to frontline chemotherapeutical treatments, resulting in cancers cannot be treated and are inevitably fatal. This makes the discovery of ways to combat MDR so important in the treatment of cancer. The chrysosporazines are a family of recently discovered (2019) natural products that have …

The Contribution Of Ethical Governance Of Artificial Intelligence & Machine Learning In Healthcare, Tina Nguyen

Electronic Theses and Dissertations

With the Internet Age and technology progressively advancing every year, the usage of Artificial Intelligence (AI) along with Machine Learning (ML) algorithms has only increased since its introduction to society. Specifically, in the healthcare field, AI/ML has proven to its end-users how beneficial its assistance has been. However, despite its effectiveness and efficiencies, AI/ML has also been under scrutiny due to its unethical outcomes. As a result of this, two polarizing views are typically debated when discussing AI/ML. One side believes that AI/ML usage should continue regardless of its unsureness, while the other side argues that this technology is too …

Biomaterials: From Scaffold Design To Implant Optimization, Jennifer Marie Armen

Electronic Theses and Dissertations

This work encompasses three individual projects concerning biomaterials and their modifications. Chemically-Induced Cross-Linking of Peptidic Fibrils for Scaffolding Polymeric Particles and Macrophages EAK16-II (EAK) is a self-assembling peptide (SAP) that forms β-sheets and βfibrils through ionic-complementary interactions at physiological ionic strengths. The soft materials can be injected in vivo, creating depots of drugs and cells for rendering pharmacological and biological actions. The scope of the applications of EAK is sought to extend to tissues through which the flow of extracellular fluid tends to be limited. In such anatomical locales the rate and extent of the fibrilization are limited insofar as …

Turbulent Transport Of Dissolved Oxygen In Natural Channels, Alanna Bachtlin

Electronic Theses and Dissertations

The transport and mixing of dissolved oxygen (DO) is important to replenish the oxygen depleted by natural processes; gas transfer in general has implications for ecosystem metabolism and greenhouse gas transfer. Currently, reaeration coefficients can be found through gas tracer methods, which estimates one-way gas transfer. For this project, a net oxygen consumption rate, , was developed using the similarity equations, which provides a value from DO and velocity profiles specific to a stream site. Additionally, three models to calculate friction velocity, which is required for oxygen consumption rate, were compared. Reynolds stresses, mathematically developed in the Reynolds-Averaged Navier-Stokes Equations, …

Rooted In The Earth: An Igbo Sacramental Nature Of The Universe, A Model For Igbo Christian Ecological Ethics, Kenneth Oguzie

Electronic Theses and Dissertations

The contemporary Igbo society faces a lot of challenges. These include political, religious, and moral crises. These crises affect the environment in many ways. They threaten the peace and harmony of the Igbo society. As a result, it touches on faith. The Igbo society holds a holistic view of life. Whatever affects one aspect of life affects the other areas. Ecologically, various factors are responsible for the crises. These include changes in lifestyle from the traditional way of living to modern style of life with its penchant on consumerism. Also, colonialism and its lingering residues, civil unrests, politics, population growth, …

C-H On The Oxo Ferryl Wheel: Comparison Of Pyridine And Imidazole-Substituted Ligands For C-H Activation And Functionalization, Elizabeth Milem

Electronic Theses and Dissertations

The selective and efficient transformation of hydrocarbon feedstocks is of high value for industry and research. While Shilov-type organometallic methods have facilitated this goal, systems designed after nature’s use of cheap and abundant iron-based enzymes are desired for wider-scale applications. This work establishes hydrocarbon oxidation efficiency of synthetic pyridine-based ligands (BPMEN, BPMPN) compared to commercially available TPA with in situ generated catalysts. Literature studies of traditionally synthesized BPMEN systems and initial in situ studies offered evidence for enhanced reactivity (TON) as compared to TPA. Expansion to a propyl backbone to produce BPMPN tested the increased chelate ring size’s impact on …

An Application Of Differential Mathematical Modeling Techniques To Study The Ongoing Rabies Epizootic In China, Christopher Turner

Electronic Theses and Dissertations

Rabies remains a global public health issue with a wide variety of neurological symptoms such as confusion, slight paralysis, hypersalivation, and hydrophobia. Rabies is usually fatal once symptoms appear. Many species are reservoirs for rabies, such as foxes, racoons, and wild dogs, which in turn can transmit the disease to humans, leading to complex transmission chains. There is a long latent period of rabies, between 1 to 3 months after infection, which further complicates control efforts. Mathematical modeling is a valuable tool in the study of infectious disease outbreaks and there have been many models applied to rabies outbreaks. However, …

Modeling And Debiasing Feedback Loops In Collaborative Filtering Recommender Systems., Sami Khenissi

Electronic Theses and Dissertations

Artificial Intelligence (AI)-driven recommender systems have been gaining increasing ubiquity and influence in our daily lives, especially during time spent online on the World Wide Web or smart devices. The influence of recommender systems on who and what we can find and discover, our choices, and our behavior, has thus never been more concrete. AI can now predict and anticipate, with varying degrees of accuracy, the news article we will read, the music we will listen to, the movies we will watch, the transactions we will make, the restaurants we will eat in, the online courses we will be interested …

Beyond Accuracy In Machine Learning., Aneseh Alvanpour

Electronic Theses and Dissertations

Machine Learning (ML) algorithms are widely used in our daily lives. The need to increase the accuracy of ML models has led to building increasingly powerful and complex algorithms known as black-box models which do not provide any explanations about the reasons behind their output. On the other hand, there are white-box ML models which are inherently interpretable while having lower accuracy compared to black-box models. To have a productive and practical algorithmic decision system, precise predictions may not be sufficient. The system may need to have transparency and be able to provide explanations, especially in applications with safety-critical contexts …

Statistical Methods For Assessing Drug Interactions And Identifying Effect Modifiers Using Observational Data., Qian Xu

Electronic Theses and Dissertations

This dissertation consists of three projects related to causal inference based on observational data. In the first project, we propose a double robust to identify the effect modifiers and estimate optimal treatment. Observational studies differ from experimental studies in that assignment of subjects to treatments is not randomized but rather occurs due to natural mechanisms, which are usually hidden from the researchers. Many statistical methods to identify the treatment effect and select the optimal personalized treatment for experimental studies may not be suitable for observational studies any more. In this project, we propose a exible outcome model to select the …

Hybrid Machine And Deep Learning-Based Cyberattack Detection And Classification In Smart Grid Networks, Adedayo Aribisala

Electronic Theses and Dissertations

Power grids have rapidly evolved into Smart grids and are heavily dependent on Supervisory Control and Data Acquisition (SCADA) systems for monitoring and control. However, this evolution increases the susceptibility of the remote (VMs, VPNs) and physical interfaces (sensors, PMUs LAN, WAN, sub-stations power lines, and smart meters) to sophisticated cyberattacks. The continuous supply of power is critical to power generation plants, power grids, industrial grids, and nuclear grids; the halt to global power could have a devastating effect on the economy's critical infrastructures and human life.

Machine Learning and Deep Learning-based cyberattack detection modeling have yielded promising results when …

Structural, Charge Transport, Gas Sensing, Magnetic, Pseudocapacitive, And Electrocatalytic Properties Of Perovskite Oxides., Surendra Bahadur Karki

Electronic Theses and Dissertations

Perovskites are functional materials with the general formula ABO₃ (A = alkali, alkaline earth or lanthanoid cations and B = transition metal or main group cations). These materials are marked by a variety of crystal structures and interesting properties such as colossal magnetoresistance, ferroelectricity, multiferroicity, superconductivity, pseudocapacitance, gas sensing, charge transport, and electrocatalytic properties. The formula of perovskite can be written as AA’BB’O₆, when there is ordering between two cations over A and B-sites. Such compounds are called double perovskite oxides. Some amount of oxygen could be lost from crystal structure without decomposition of the phase. Such …

New Accurate, Explainable, And Unbiased Machine Learning Models For Recommendation With Implicit Feedback., Khalil Damak

Electronic Theses and Dissertations

Recommender systems have become ubiquitous Artificial Intelligence (AI) tools that play an important role in filtering online information in our daily lives. Whether we are shopping, browsing movies, or listening to music online, AI recommender systems are working behind the scene to provide us with curated and personalized content, that has been predicted to be relevant to our interest. The increasing prevalence of recommender systems has challenged researchers to develop powerful algorithms that can deliver recommendations with increasing accuracy. In addition to the predictive accuracy of recommender systems, recent research has also started paying attention to their fairness, in particular …

A Machine Learning Approach For Reconnaissance Detection To Enhance Network Security, Rachel Bakaletz

Electronic Theses and Dissertations

Before cyber-crime can happen, attackers must research the targeted organization to collect vital information about the target and pave the way for the subsequent attack phases. This cyber-attack phase is called reconnaissance or enumeration. This malicious phase allows attackers to discover information about a target to be leveraged and used in an exploit. Information such as the version of the operating system and installed applications, open ports can be detected using various tools during the reconnaissance phase. By knowing such information cyber attackers can exploit vulnerabilities that are often unique to a specific version.

In this work, we develop an …

John Horton Conway: The Man And His Knot Theory, Dillon Ketron

Electronic Theses and Dissertations

John Horton Conway was a British mathematician in the twentieth century. He made notable achievements in fields such as algebra, number theory, and knot theory. He was a renowned professor at Cambridge University and later Princeton. His contributions to algebra include his discovery of the Conway group, a group in twenty-four dimensions, and the Conway Constellation. He contributed to number theory with his development of the surreal numbers. His Game of Life earned him long-lasting fame. He contributed to knot theory with his developments of the Conway polynomial, Conway sphere, and Conway notation.

Finding A Representative Distribution For The Tail Index Alpha, Α, For Stock Return Data From The New York Stock Exchange, Jett Burns

Electronic Theses and Dissertations

Statistical inference is a tool for creating models that can accurately display real-world events. Special importance is given to the financial methods that model risk and large price movements. A parameter that describes tail heaviness, and risk overall, is α. This research finds a representative distribution that models α. The absolute value of standardized stock returns from the Center for Research on Security Prices are used in this research. The inference is performed using R. Approximations for α are found using the ptsuite package. The GAMLSS package employs maximum likelihood estimation to estimate distribution parameters using the CRSP data. The …

Risk Gameplay Analysis Using Stochastic Beam Search, Jacob Gillenwater

Electronic Theses and Dissertations

Hasbro’s RISK, first published in 1959, is a complex multiplayer strategy game that has received little attention from the scientific community. Training artificial intelligence (AI) agents using stochastic beam search gives insight into effective strategy when playing RISK. A comprehensive analysis of the systems of play challenges preconceptions about good strategy in some areas of the game while reinforcing those preconceptions in others. This study applies stochastic beam search to discover optimal strategies in RISK. Results of the search show both support for and challenges to traditionally held positions about RISK gameplay. While stochastic beam search competently investigates gameplay on …

Water Quality Assessment Of Karst Spring Water As A Private Water Supply Source In Northeast Tennessee, Lukman Fashina

Electronic Theses and Dissertations

Karst springs are an essential source of private water supply for about 10% of households in Tennessee. However, these springs, which can be easily polluted, are unregulated. This study, therefore, assesses water quality spatial patterns and water quality rating of roadside springs in northeast Tennessee.

Karst spring water samples collected from 50 springs were assessed using EPA Standard methods for pathogens, nutrients, radon, and physicochemical parameters. Springs generally met federal and state standards for physicochemical parameters, 90% of samples contained E. coli, and all samples contained fecal coliform. High E. coli was spatially clustered causing a fecal contamination hot …

Community Structure Analysis Of Mammals Found At The Gray Fossil Site, Tn, Sarah Clark

Electronic Theses and Dissertations

The early Pliocene Gray Fossil Site (GFS) is a biodiverse site with a unique faunal assemblage that represents one of few sites of its age in eastern North America. A community structure analysis of the mammals at GFS was done to characterize species and better understand the paleoenvironment. Data and was gathered from twenty modern communities and five late Neogene sites to compare with GFS. Species from these 26 sites were categorized by body size, locomotor mode, cheek tooth crown height, and diet to characterize niches occupied. Descriptive statistics contrasted proportions of species within categories across communities. Discriminant function analyses …

New Debiasing Strategies In Collaborative Filtering Recommender Systems: Modeling User Conformity, Multiple Biases, And Causality., Mariem Boujelbene

Electronic Theses and Dissertations

Recommender Systems are widely used to personalize the user experience in a diverse set of online applications ranging from e-commerce and education to social media and online entertainment. These State of the Art AI systems can suffer from several biases that may occur at different stages of the recommendation life-cycle. For instance, using biased data to train recommendation models may lead to several issues, such as the discrepancy between online and offline evaluation, decreasing the recommendation performance, and hurting the user experience. Bias can occur during the data collection stage where the data inherits the user-item interaction biases, such as …

Development And Novel Applications Of Halogenating Agents., Sagar Ravso Mudshinge

Electronic Theses and Dissertations

Organic halides are extensively utilized as synthetic intermediates in areas such as pharmaceuticals, agrochemicals, and material polymers. While many halogenating agents have been developed, they continue to have low efficiency or selectivity, are difficult to handle, and often have limited substrate scope. To address this issue, our laboratory has developed novel halogenating agents with improved stability and efficiency. In these studies, we demonstrated a novel application of halogenating reagent, HCl·DMPU, in the nitrile synthesis. We developed a novel method for C−SCF₃/SeCF₃ cross-coupling reactions using gold redox catalysis. We developed a novel trifluoromethylating agent in a cost-effective and …

Spectroscopic Measurements Of Meibum Compositional, Structural, And Functional Relationships To Elucidate The Role Of Meibum In Dry Eye., Anthony Chigozie Ewurum

Electronic Theses and Dissertations

The major aim of my dissertation was to investigate the etiology of dry eye disease which affects about 7 million people in the United States, causing symptoms that can lead to visual disturbance. Correlation between dry eye and an abnormal lipid layer of the tear film has been found. Tear film lipids originate mostly from the meibomian glands. Cholesteryl ester (CE) and Wax ester (WE) lipids make up most of the human meibum lipidome and the CE/WE ratio has been shown to decrease in patients with meibomian gland dysfunction. Model studies using synthetic CE and WE, although providing some insight, …

Surface-Functionalized Chemiresistive Films That Exploit H-Bonding, Cation-Pi, And Metal-Halide Interactions., Prasadanie Karunarathna Adhihetty

Electronic Theses and Dissertations

The development of gas sensors for detection of volatile organic compounds (VOCs) has been of interest in the sensing field for decades. To date, the use of metal nanoparticle-based chemiresistors for trace VOC detection, particularly gold nanoparticle-based sensors, is of great interest due to their high chemical stability, ease of synthesis, unique optical properties, large surface to volume ratio, and high level of conductivity. Much effort has been devoted towards gold monolayer protected clusters (Au MPCs) as chemiresistors to detect harmful VOCs. The present thesis documents the results of our efforts to exploit the advantages of functionalized Au MPCs chemiresistors …

Sustainable Nanocatalysis In Water For C–C And C–N Cross-Couplings., Tharique Ahammed Ansari Nalakath

Electronic Theses and Dissertations

The development and application of various micelle-enabled nanopalladium-catalyzed organic transformations are discussed in this dissertation. These methodologies primarily harness the “micellar effect” imparted by the custom-designed amphiphile PS-750-M. Modern spectroscopic and imaging techniques were employed to systematically study the metal-micelle interactions and answer the fundamental questions regarding the operational nature of micellar catalysis. Chapter 1 reviews the history and evolution of organic synthesis, providing a critical outlook regarding the alarming inefficiency of contemporary synthetic practices indicating an inevitable transition to more sustainable synthetic techniques. In this context, the development of micellar catalysis is discussed, emphasizing its basic principles, applications, and …