Physical Sciences and Mathematics Commons^™

Synthesis Of Novel Schiff Bases And Their Metal Complexes, Ryan J. Lukkarinen

Theses and Dissertations

Presented in this thesis is the synthesis and characterization of multiple thiosemicarbazones and dithiocarbazates, as well as their corresponding metal complexes. Chapter 1 is an introductory chapter exploring the significance and potential applications of this work. Chapter 2 focuses on thiosemicarbazone synthesis and characterization. Chapter 3 describes the synthesis and characterization of dithiocarbazates. Chapter 4 details metal complex synthesis using the previously described ligands. Chapter 5 summarizes the conclusions of the research and future work that may stem from it.

Predictive Modeling For Healthcare Data Using Nonlinear Bayesian Methods, Prince Kofi Asare

Theses and Dissertations

Unplanned hospital readmissions represent a significant challenge for healthcare systems, contributing to substantial financial burdens and highlighting gaps in patient care coordination. In the U.S., approximately 20% of Medicare beneficiaries are readmitted within 30 days, costing billions annually. Social determinants of health, such as income, housing stability, and social support, account for up to 80% of health outcomes, yet their integration into predictive models remains underexplored. This study introduces a novel Bayesian framework for predicting 30-day readmission risk, combining Gaussian Process models with spike-and-slab priors and Bayesian Lasso regression with Laplace priors. Utilizing Markov Chain Monte Carlo methods, the approach …

Automorphism Groups Of N-Graded Vertex Algebras Associated With Cyclic Leibniz Algebras With Small Dimensions, Alexander M. Keene

Theses and Dissertations

A fundamental problem in the study of vertex (operator) algebras V is the determination of the group of (grading-preserving) N-graded vertex algebras associated with cyclic Leibniz algebras of dimensions 2 and 3 that were classified by C. Barnes, E. Martin, J. Service, and G. Yamskulna in [1].

In each case examined, investigation of the automorphism group relies on the key fact that the action of an automorphism σ is determined solely by its value at a single basis element b. Furthermore, we employ a result in [19] by H. Li and G. Yamskulna which states that we can determine the …

Centralized Deep Reinforcement Learning For Homogeneous Multi-Component Maintenance Optimization, Joseph W. Wittrock

Theses and Dissertations

This thesis explores an application of reinforcement learning (RL) in maintenance optimization. Recent advances in hardware-accelerated computation and deep learning have made RL a powerful tool for solving optimization problems which are too complex for traditional methods. Maintenance optimization involves improving the efficiency and effectiveness of maintenance activities through data-driven approaches, ultimately reducing costs and increasing asset availability. Making informed maintenance decisions is crucial to long-term sustainability.

A desirable maintenance policy maximizes a utility signal while minimizing the cost of maintenance. Techniques in sequential decision making such as dynamic programming (DP) and RL have found success in optimizing these maintenance …

High Throughput, Solid Sample Analysis With Cone-Based Mass Spectrometric Ionization Sources, Emily J. Wiggins

Theses and Dissertations

The widespread presence of environmental and consumer-product contaminants (e.g. trace metals, opium alkaloids) has underscored the need for rapid, reliable, and high-throughput analytical techniques that are capable of handling complex solid samples. While traditional mass spectrometric (MS) methods tend to have high sensitivity and accuracy, they often require labor-intensive and time-consuming sample preparation steps that limit throughput and field applicability. This thesis investigates the use of 3D-Printed Cone Spray Ionization-Mass Spectrometry (3D-PCSI-MS) as an ambient ionization technique for the direct screening of contaminants from solid matrices, eliminating the need for traditional sample preparation and allowing for real-time analysis.

In …

Symp25s: Cactas-Ai: Automatic Segmentaion Of Calcified Plaque In Carotid Arteries, Jiehyun Kim, Kevin Wang, Yu Sakai, Youxiang Zhu, Andrew C. Hu, Huy Q. Phi, Nathan Arnett, Grace J. Wang, Brett L. Cucchiara, Jae W. Song, Daniel Haehn

Paul English Applied Artificial Intelligence (AI) Institute Publications

Manual segmentation of calcified plaque, essential for assessing stroke risk, is time-consuming, and conventional methods like 2D and 3D UNet often struggle with the small size. We developed CACTAS-AI, a two-step segmentation process. This approach outperforms baseline methods in plaque segmentation.

Thermo-Rheological And Tribological Properties Of Low- And High-Oleic Vegetable Oils As Sustainable Bio-Based Lubricants, Abiodun Saka, Tobechukwu K. Abor, Anthony C. Okafor, Monday U. Okoronkwo

Mechanical and Aerospace Engineering Faculty Research & Creative Works

Vegetable oil-based lubricants have attracted increased research attention in recent decades as sustainable alternatives to conventional petroleum-based lubricants in metal machining. However, more studies are required to fully elucidate the thermo-rheological and tribological properties. This study presents an investigation of the thermo-rheological and tribological properties of different vegetable oils, including low- and high-oleic soybean oil, high-oleic sunflower, safflower, and canola oils. The lubricity, and evolution of viscosity and thermodynamic properties as a function of temperature were investigated to obtain important parameters including the viscosity index, flow behavior index, flow activation energy, specific heat capacity, thermal conductivity, coefficient of friction, contact …

Determination Of Spatial Origin Of Striations On Fired Projectiles, Kaitlin A. Dolan

Graduate Theses, Dissertations, and Problem Reports (ETD)

Firearms examination has been a mainstay of Forensic Science for over a century. One of the principal assessments performed by firearm examiners is the comparison of fired projectiles to a suspect firearm. The AFTE theory of identification, as it pertains to firearms and toolmarks, supports the basis that the barrel of a firearm will impart class and individualizing characteristics onto the fired projectile. The characteristics are developed by the interaction of the projectile surface with the lands of the barrel. Features on the lands, which are incidental to the process of manufacturing, dictate the characteristics observed on the fired projectile. …

Simulation Of Annpet For Neural Network Training And System Performance Benchmarking, Pete Martone

Graduate Theses, Dissertations, and Problem Reports (ETD)

Monte Carlo (MC) simulations are often used to provide insight into complex physical phenomenon. They can generate realistic results without the necessity to construct costly and complex apparatus. The ultimate value of these simulations depend on how accurately the physics can be modeled and if a sufficient volume can be produced to account for statistical variance. In medical imaging device development, MC simulations of Positron Emission Tomography (PET) scanners have typically been used to model the performance of new systems. The imaging group in the Department of Radiology have developed a unique detector design for a pre- clinical PET scanner …

Approaches To The Synthesis Of Highly Substituted Arenes, Kh Tanvir Ahmed

Graduate Theses, Dissertations, and Problem Reports (ETD)

While benzene rings and their derivatives are among the most frequently encountered ring systems in natural products, pharmaceuticals, agrochemicals, dyes, and functional materials, polysubstituted arenes are relatively scarce. The analysis of FDA-approved small molecules provides valuable insights into the characteristics of successful drugs while also highlighting gaps in the availability of synthetic methods capable of efficiently accessing diverse substitution patterns on aromatic rings. Highly substituted arenes are typically synthesized through sequential modification of a pre-existing benzene core; however, this stepwise approach becomes increasingly challenging with each additional substitution. An alternative strategy involves the direct construction of benzene rings via annulation …

Photocarrier Dynamics In Dielectric And Metal-Dielectric Nanocatalysts In Ambient And Operando Conditions, Sunil Gyawali

Graduate Theses, Dissertations, and Problem Reports (ETD)

Photocatalysis, a promising method for solar-to-chemical energy conversion, relies on sunlight to generate excited charge carriers in catalysts with sufficient lifetimes and mobilities to drive photoreactions. Thin-film semiconductors are essential for reducing charge recombination and enhancing mobility but suffer from a low surface-to-volume ratio problems, resulting in a reduced absorption coefficient and limiting solar-energy-conversion efficiency. Nanostructures address these limitations by enhancing light absorption and surface reactivity. However, efficient photocatalysis also requires that the semiconductor’s band edges align with the redox potential of the desired photoreaction, limiting light absorption to just some of the whole solar spectrum. In hybrid and composite …

Free Energy Approaches To Understanding The Mechanism Of Membrane-Active Peptides, Hannah R. Scott

Graduate Theses, Dissertations, and Problem Reports (ETD)

Cancer is a leading cause of death in the world today. Current methods of treatment fail to distinguish the difference between cancer cells and cells of healthy tissue, leading to off-target effects, often with terminal outcomes. A potential solution to this challenge is to target the cancer cells’ microenvironment. One universal characteristic across all cancer cells is the acidic extracellular environment. The pH-Low Insertion Peptide (pHLIP) is a membrane-active peptide with acid-sensitive function, undergoing folding and insertion into a transmembrane alpha-helix. pHLIP is a promising candidate to be used to deliver anti-cancer agents exclusively to cancer cells. Although the mechanism …

Assessment Of Analytical Workflows Of Gunshot Residue Evidence And Strategies For Implementation Of Advanced Technology In Crime Laboratories., Leah D. Thomas

Graduate Theses, Dissertations, and Problem Reports (ETD)

The rise in gun violence in the United States has increased the demand on forensic agencies to process evidence promptly and accurately. The exchange of imperceptible traces among objects, suspects, and victims can provide critical insights into the interactions and sequence of events during a crime. Gunshot residue (GSR) is a type of trace evidence that holds significant investigative value in shooting reconstructions. GSR can help identify potential shooters, intermediate targets, and bullet trajectories; however, its analysis is often expensive and time-consuming. Consequently, there is an urgent need for more effective solutions.

Methods for on-site screening can significantly streamline forensic …

Reconnection-Driven Electron Acceleration, Ripudaman Singh Nirwan

Graduate Theses, Dissertations, and Problem Reports (ETD)

Magnetic reconnection converts the magnetic energy available in a plasma to the kinetic energy of its constituent particles. In the simplest case, it occurs between anti-parallel magnetic field lines meeting in a plane. Another variant known as ‘component reconnection’ involves field lines reconnecting at an angle, giving a non-zero magnetic field component perpendicular to the plane of reconnection. This component is known as the ‘guide field’ and it is normalized to the reconnecting field in the literature. The guide field controls the particle-scale dynamics of reconnection and influences the ensuing particle acceleration.

Component reconnection occurs in the Earth’s magnetosphere, along …

A Paleobiological And Paleoecological Analysis Of Mississippian Trilobites With Segmentation Abnormalities, April Catherine Cerami

Graduate Theses, Dissertations, and Problem Reports (ETD)

Trilobites are a well-preserved group of arthropods, with a fossil record extending from the Cambrian to the end of the Permian. Abnormalities, such as injuries or teratological defects, have been observed and described in multiple individuals, although investigating how these abnormalities occur in populations has been largely overlooked.

One possible cause of abnormalities in marine arthropods is heavy metal pollution. Such metals can leave individuals more susceptible to teratological deformities and injuries, interfering with the molting and healing process. Here, methods for analyzing elemental composition and preservation of the trilobite cuticle were refined, finding that 30 μm thin sections are …

Investigation Of Protein-Ligand Binding Interactions Through The Computational Methods Of Molecular Dynamics And Graph Neural Networks, Alexander Benjamin Wroe

Graduate Theses, Dissertations, and Problem Reports (ETD)

Studies in protein ligand binding are a significant focus in the field of medicinal chemistry

and biochemistry, facilitating a greater understanding of the structure-function relationship

of the protein and controlling function via drug development. In this research, we identify

new binding sites for lipids on the microbial membrane protein, proteorhodopsin, and apply

machine learning approaches to accelerate the generation of binding affinity-like data for the

use in the identification of potential small molecule drugs. The platelet activating factor

receptor. Cardiolipin, a lipid in membranes, and proteorhodopsin, a microbial proton pump,

are both commonly found in microbial membranes, but little is …

Mathematical Contributions To The Study Of Chemotaxis And Cell Signaling, Hajr Zam

Graduate Theses, Dissertations, and Problem Reports (ETD)

This dissertation presents results from two mathematical projects concerned with the biology of cells. Chapter 1 provides biological background and places the two mathematical problems in the context of cell signaling. The larger project, with Prof. H. Hattori on a chemotaxis model is presented in Chapters 3 and 4. Work with Prof. \'{A}. Hal\'{a}sz on a chemical reaction network system with linear multimers and two types of labels is presented in Chapter 2. The chemotaxis system describes the one-dimensional dynamics of a species of cells with two chemical species, a chemo-attractant and chemo-repellent. The goal is to analyze the behavior …

The Origin And Properties Of Ionized Gas In The Inner Milky Way Disk, Dylan J. Linville

Graduate Theses, Dissertations, and Problem Reports (ETD)

The interstellar medium (ISM) plays a crucial role in the evolution of the Milky Way and other spiral galaxies, but numerous gaps remain in our collective understanding of its properties. The now-complete Green Bank Telescope (GBT) Diffuse Ionized Gas Survey (GDIGS) and the ongoing extension, the GBT Diffuse Ionized Gas Survey at Low Frequencies (GDIGS-Low), offer the opportunity to study the ionized component of the ISM at unmatched sensitivity and resolution. In this dissertation I will utilize GDIGS and GDIGS-Low data to improve our understanding of discrete regions of ionized gas. I first use GDIGS to provide improved measurements of …

Late Ordovician Evolution Of Sea Scorpions: Eurypterids Of The Big Hill Lagerstätte, Joseph Donaldson Bingham Jr.

Graduate Theses, Dissertations, and Problem Reports (ETD)

Eurypterids are a group of diverse chelicerates that first appeared during the Middle Ordovician (467.3 Ma) and went extinct at the end of the Permian (251.9 Ma). The fossil record of eurypterids during the Ordovician is relatively sparce, comprising only 12 species representing the Megalograptidae, a ‘waeringopterid’ clade, Rhenopteridae, Onychopterellidae, Adelophthalmoidea, and Eurypteroidea clades. This study describes early eurypterids from the Katian aged (~452 Ma) Big Hill Lagerstätte of Michigan. The described material represents two new species, herein named Machipterus margaritae sp. nov. (based on 21 specimens preserving the ventral prosoma and prosomal appendages, and opisthosoma) and Dikranopterus lysinae sp. …

Development And Applications Of Capillary Vibrating Sharp-Edge Spray Ionization Coupled With Atmospheric Pressure Chemical Ionization (Cvssi-Apci), Madison Elizabeth Pursell

Graduate Theses, Dissertations, and Problem Reports (ETD)

Mass spectrometry (MS) is a technique that is used in fields in which both complex and non-complex mixtures are analyzed. The state-of-the-art ion sources that are utilized for MS are being demonstrated to be functional for direct infusion of samples as well as for use with online separations. However, ion sources, such as electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI) can encounter problems such as ion suppression and an inability to ionize based on size and/or polarity, respectively. Further these sources are bulky and require gas flow, heat sources, and additional high voltage power supplies for optimal performance. …

Rational Design Of Small Molecules Targeting Mitochondrial Redox Proteins, Matheus Barbosa Belchior

Graduate Theses, Dissertations, and Problem Reports (ETD)

Reactive oxygen species play a crucial role in many cellular processes. Despite being a natural byproduct of cellular metabolism, overexpression of these species causes damage to the cell, leading to cell dysfunction. Central to the regulation of these highly reactive molecule is the mitochondria. Impairment in its function has been associated with oxidative stress within the cell. Herein, a ligand-based and structure-based approach to design new small molecules to inhibit mitochondrial redox proteins associated with oxidative stress and reactive oxygen species. In the first project two molecules were synthesized and characterized as potential monoamine oxidase B inhibitors. Results showed two …

Applications Of Deep Learning For Optimizing Fingerphoto And Latent Fingerprint Biometrics, Amol Sanjay Joshi

Graduate Theses, Dissertations, and Problem Reports (ETD)

Fingerprint-based biometric recognition remains one of the most dependable and widely adopted approaches for identity verification due to its permanence and distinctiveness. Recent advancements in mobile and contactless imaging have extended fingerprint acquisition beyond controlled environments into unconstrained, real-world conditions through fingerphotos, contactless fingerprint images captured by digital or smartphone cameras. While this paradigm shift enhances accessibility and user convenience, it introduces significant technical challenges. Variations in illumination, focus, and motion blur often degrade ridge patterns, making accurate feature extraction and matching more difficult. Similarly, in forensic applications, latent fingerprints, incomplete or smudged prints lifted from surfaces, pose unique challenges …

Survival And Spatial Ecology Of North American River Otters (Lontra Canadensis) In West Virginia, Laurel Marie Glover

Graduate Theses, Dissertations, and Problem Reports (ETD)

Wildlife reintroductions function to regain wildlife populations in areas where they have been extirpated or greatly diminished. One such species that has been reintroduced to several states is the North American river otter (Lontra canadensis). The West Virginia Division of Natural Resources (WVDNR) conducted a river otter reintroduction effort between 1984-1997, releasing 245 individuals into the state. The reintroduction was deemed a success with the WVDNR opening a regulated trapping season for river otters in 2011, allowing trappers to take one river otter per season. As the population has reestablished in West Virginia, several management challenges have arisen …

Modeling Relativistic Fluids In Dynamical Spacetimes, Terrence Alphonse Pierre Jacques

Graduate Theses, Dissertations, and Problem Reports (ETD)

Multi-messenger astrophysics opens a new era in our understanding of the most dynamic and energetic systems in the Universe. Correlating gravitational-wave and electromagnetic signals in space and time enables stringent tests of models for core-collapse supernovae, merging supermassive black-hole binaries with accretion disks and jets, and mergers of compact object binaries such as binary neutron stars (BNS) and white dwarfs. Comparisons between models and multi-messenger observations may be used to constrain the neutron-star equation of state (EOS), formation channels for compact-object binaries, and emission mechanisms behind short gamma-ray bursts.

In modeling such astrophysical systems, great success has been achieved by …

Novel Phenomena In Chiral And Disordered Crystals, Zachary Louis Romestan

Graduate Theses, Dissertations, and Problem Reports (ETD)

The concept of symmetry is central to our understanding of the physical world. Core symmetries—comprising time reversal, charge conjugation, spatial inversion, and rotation—are integral in maintaining essential conservation laws. They also play a critical role in the manifestation of new quantum phases that arise when these symmetries are disrupted. At the heart of contemporary research in condensed matter physics is the exploration of how basic symmetries interact with material imperfections. This examination delves deeply into the ways that inherent symmetrical properties and structural anomalies within materials influence each other, providing crucial insights into the field. This dissertation presents an investigation …

The Effect Of Facial Phenotypes On Differential Performance Of Facial Recognition, Evan R. Garrett

Graduate Theses, Dissertations, and Problem Reports (ETD)

Facial recognition technology is utilized in many facets of life. As the use has become more widespread these systems have improved in reliability and performance approaching the level of human accuracy. With these improvements the problem of bias still remains as a persistent problem. Efforts have been made to minimize the bias prevalent in the systems via studies into various demographic factors, creating training datasets that have a more uniform distribution of subjects, and other methods. As facial recognition is one of the most utilized forms of biometric recognition it is vital to analyze potential causes of bias to help …

Development Of Fast And Comprehensive Approaches For Gunshot Residue Interpretation Using Ambient Ionization, Mass Spectrometry, And Microparticle Sampling Studies, Thomas Dimmey Ledergerber

Graduate Theses, Dissertations, and Problem Reports (ETD)

The information derived from the forensic examination of gunshot residue (GSR) can be critical during the investigative and trial stages in the criminal justice system. However, the complexity of the GSR deposition, transfer, and persistence mechanisms calls for meticulous handling and identification processes. Novel advances in evidence interpretation and analysis via instrumental methods are current areas of growing interest that must be pushed along the chain from research to practice in a timely manner. Therefore, this research focuses on developing both rapid and comprehensive methods for detecting gunshot residue evidence and effectively communicating its significance to the investigators or trier …

3d Printed Microfluidic Platforms For Elisa-Based Diagnostics: Advancing Toward Point Of Care, Brandi Marie Binkley

Graduate Theses, Dissertations, and Problem Reports (ETD)

Protein biomarker detection is a critical analytical method for quantifying proteins in biological samples. It is relevant not only in medical diagnostics and research but also numerous other fields such as environmental monitoring, pharmacology, food safety, and biotechnology. Sensitive detection at picogram-per-milliliter (pg/mL) levels is essential for diagnosing diseases, monitoring progression, and tailoring treatments, especially for low-abundance biomarkers like troponin, interleukin 6, carcinoembryonic antigen (CEA), activin A, and vascular endothelial growth factor (VEGF). Immunoassays, particularly enzyme-linked immunosorbent assays (ELISAs), are the gold standard for protein biomarker detection due to their high specificity and sensitivity. The development of point-of-care (POC) diagnostic …

Do Dung Beetles Sink Or Swim: Exploring Dung Beetle Response To Precipitation, Lauren T. Cheshire

Graduate Theses, Dissertations, and Problem Reports (ETD)

Global climate change constitutes a major threat to biodiversity and ecosystem services of many taxa. The Mid-Atlantic region of the US is expecting to see an increase in extreme precipitation events and flooding. Dung beetles (Scarabaeinae) can tunnel below the soil surface allowing for water to dissipate into the soil rather than sit on the surface and add to flooding conditions. They also can decrease methane emission by burying dung and reduce outbreaks of pests that prefer the moist environment of dung. They contribute roughly $380 million in ecosystem services annually in the United States, yet their services may be …

Developing Consensus-Based Methods For The Examination And Interpretation Of Contemporary Vehicle, Architectural, And Portable Electronic Device Glasses By Micro-X-Ray Fluorescence Spectrometry, Zachary Bailey Andrews

Graduate Theses, Dissertations, and Problem Reports (ETD)

Glass is a trace material that is commonly encountered during investigations of violent crimes. When glass is recovered at crime scenes, it can be used to establish links between suspects, victims, and the scene itself. The most discriminatory form of analysis for glass evidence is elemental analysis, and micro-X-ray fluorescence spectrometry (µXRF) is becoming an increasingly common technique used for this purpose. Recent advances in µXRF technology, such as the introduction of silicon drift detectors (SDD) and improved polycapillary optics are promising in enhancing the capabilities for the examination of glass evidence in forensic investigations. However, along with these advances …