Physical Sciences and Mathematics Commons^™

Electronic Structure Of Early Transition Metal Complexes Supported By Pyridine Polypyrrolide Ligands, Dylan Connor Leary

Graduate Theses, Dissertations, and Problem Reports

A thorough study of photoluminescent molecules involving the pyridine polypyrrole(ide) ligand platform has been conducted. A detailed analysis on speciation of the proligand H₂(^MesPDP^Ph) (H₂^MesPDP^Ph = 2,6-bis(5-mesityl-3-phenyl-1H-pyrrol-2-yl)-pyridine) and its dilithium salt Li₂(^MesPDP^Ph) revealed temperature- and solvent-dependent effects. These molecules, along with the hydrochloric acid adduct [H₃(^MesPDP^Ph)]Cl were found to exhibit short-lived photoluminescence in both tetrahydrofuran and benzene solution. These findings confirm the hypothesis that heavy-atom involvement is crucial for the favorable photophysical properties observed for the Zr(PDP)_{2 …}

Red Spruce Ecological Sites, Ecological States, And Restoration Pathways Quantified Through Soil Organic Carbon, James Edward Leonard

Graduate Theses, Dissertations, and Problem Reports

Tools used by agencies and organizations like the Forest Service (FS), the Natural Resource Conservation Service (NRCS), the Nature Conservancy (TNC), and the Central Appalachian Spruce Restoration Initiative (CASRI) to help guide red spruce (Picea rubens) ecosystem restoration within Central Appalachia could better address outcomes from management practices implemented in terms of soil organic carbon (SOC) stock changes. These high-elevation landscapes have a natural capacity to produce diverse ecosystem services that affect humans, animals, and plants alike. Ecological site descriptions (ESD) are an important tool used to restore impacted landscapes and provide detailed management prescriptions specific to red spruce ecological …

Essays On Clean Water Act And Safe Drinking Water Act, Sharaban Tahura Anica

Graduate Theses, Dissertations, and Problem Reports

This dissertation empirically examines three issues related to CWA and SDWA: 1) Financial Assistance and Environmental Compliance; 2) Financial Assistance Priorities from the Clean Water State Revolving Fund; and 3) Drinking Water Compliance during COVID-19 Pandemic.

Using the National Pollution Discharge Elimination System compliance and the Clean Water State Revolving Funds (CWSRF) data for wastewater treatment plants in nine states between 2010 and 2018, chapter 2 examines a) the effect of non-compliance on the distribution and size of awarded CWSRF loans, and b) the effects of the CWSRF provision and award size on post-funding compliance. Funded facilities are found to …

Wetland Mitigation Performance Standards: The Intersection Of Science, Practice, And Policy, Jessica Anne Bryzek

Graduate Theses, Dissertations, and Problem Reports

Wetland ecosystem spatial extent and integrity have declined due to conversion to anthropogenic land uses. Wetland mitigation offsets the impact on wetlands encountered during development by restoring a previously degraded wetland or creating new wetlands. This activity creates an ecosystem service market where wetland impacts (debits) are offset by wetland restoration/creation (credits). Mitigation aims to replace functions provided by aquatic resources lost during development. Post-restoration monitoring criteria known as performance standards are used to evaluate and verify restored wetland functionality and regulate mitigation credit release. Therefore, performance standards are vital in ascertaining wetland restoration techniques and mitigation processes. In Chapter …

Hydrocarbon Pay Zone Prediction Using Ai Neural Network Modeling., Darren D. Guedon

Graduate Theses, Dissertations, and Problem Reports

This paper captures the ability of AI neural network technology to analyze petrophysical datasets for pattern recognition and accurate prediction of the pay zone of a vertical well from the Santa Fe field in Kansas.

During this project, data from 10 completed wells in the Santa Fe field were gathered, resulting in a dataset with 25,580 records, ten predictors (logs data), and a single binary output (Yes or No) to identify the availability of Hydrocarbon over a half feet depth segment in the well. Several models composed of different predictors combinations were also tested to determine how impactful some logs …

Using Drones To Evaluate Revegetation Success On Natural Gas Pipelines, Anthony Nelson Mesa

Graduate Theses, Dissertations, and Problem Reports

The Appalachian region of the United States has significant growth in the production of natural gas. Developing the infrastructure required for this resource creates significant disturbances across the landscape, as both well pads and transportation pipelines must be created in this mountainous terrain. Midstream infrastructure, which includes pipeline rights-of-way and associated infrastructure, can cause significant environmental degradation, especially in the form of sedimentation. The introduction of this non-point source pollutant can be detrimental to freshwater ecosystems found throughout this region. This ecological risk has necessitated the enactment of regulations related to midstream infrastructure development. Weekly, inspectors travel afoot along pipeline …

High Precision Pipeline Leak Detection And Localization Using Negative Pressure Wave Technique: An Application In A Real Field Case Study, Nathaniel C. Moryan

Graduate Theses, Dissertations, and Problem Reports

One of the most important aspects of oil and gas production is the safe and efficient fluid transportation using pipelines. Pipelines transporting various fluids are the most efficient but are susceptible to failure and leaks. These leaks can come about through natural disaster, as well as from general wear from the pipes that could result in major environmental and economic problems. The ability to detect leaks with speed and accuracy, as well as locating these leaks within a narrow range, will aid with the maintenance response. Hasty responses will minimize the revenue loss and reduce potential environmental impact but bring …

Application Of Artificial Intelligence For Co2 Storage In Saline Aquifer (Smart Proxy For Snap-Shot In Time), Marwan Mohammed Alnuaimi

Graduate Theses, Dissertations, and Problem Reports

In recent years, artificial intelligence (AI) and machine learning (ML) technology have grown in popularity. Smart Proxy Models (SPM) are AI/ML based data-driven models which have proven to be quite crucial in petroleum engineering domain with abundant data, or operations in which large surface/ subsurface volume of data is generated. Climate change mitigation is one application of such technology to simulate and monitor CO2 injection into underground formations.

The goal of the SPM developed in this study is to replicate the results (in terms of pressure and saturation outputs) of the numerical reservoir simulation model (CMG) for CO2 injection into …

Generation Of High Performing Morph Datasets, Kelsey Lynn O'Haire

Graduate Theses, Dissertations, and Problem Reports

Facial recognition systems play a vital role in our everyday lives. We rely on this technology from menial tasks to issues as vital as national security. While strides have been made over the past ten years to improve facial recognition systems, morphed face images are a viable threat to the reliability of these systems. Morphed images are generated by combining the face images of two subjects. The resulting morphed face shares the likeness of the contributing subjects, confusing both humans and face verification algorithms. This vulnerability has grave consequences for facial recognition systems used on international borders or for law …

A Workflow For Unconventional Reservoirs Optimization Using Supervised Machine Learning In Conjunction With Orthorhombic Elasticity Modeling, Aymen Ab Ali Alhemdi

Graduate Theses, Dissertations, and Problem Reports

Due to the anisotropy and heterogeneous nature of unconventional reservoirs like shale, a comprehensive parametric study to optimize hydraulic fracture treatment for such reservoirs is a tough challenge, especially when natural fractures are present. Most of the current frac simulators do not consider the anisotropy of rock elasticity in the shales. Besides, using the fracture simulation linked with reservoir simulation for the parametric study to understand the impact of multiple different design parameters on fracture propagation and production is time expensive and low efficient. The study proposes a workflow including a new orthorhombic (OB) rock algorithm to interpret geomechanical properties …

Discussing Changes In Historical Human–Environmental Dynamics Through Ecosystem Services Interactions And Future Scenarios In A Rural-Mining Region Of Central Appalachians, Vincenzo Cribari

Graduate Theses, Dissertations, and Problem Reports

The aim of this dissertation was to investigate how recent processes of land-change induced by humans contributed to the shaping and alteration of the current landscape in a headwater system of Central Appalachians in West Virginia (US), to understand the interactions and tradeoffs among ecosystems services and address potential solutions for targeting more sustainable human-environment interactions in a region that is deeply grounded on extractive economies. The multitiered objective was addressed through different research phases in order to unfold and disentangle a series of complex problems that the study area presents. Three main phases were used; they corresponded to distinct …

Cycle Decomposition For Integral Current Homology, Kristin Julia Duling

Graduate Theses, Dissertations, and Problem Reports

A standard graph theoretical result states that every element of the cycle space of a graph has a cycle decomposition. Georgakopoulos expands this result to a primitive decomposition and minimal representation of each element in a modified 1-dimensional singular homology. We modify the m-dimensional integral current homology in order to ensure a primitive decomposition for each element.

Classifying Blood Glucose Levels Through Noninvasive Features, Rishi Reddy

Graduate Theses, Dissertations, and Problem Reports

Blood glucose monitoring is a key process in the prevention and management of certain chronic diseases, such as diabetes. Currently, glucose monitoring for those interested in their blood glucose levels are confronted with options that are primarily invasive and relatively costly. A growing topic of note is the development of non-invasive monitoring methods for blood glucose. This development holds a significant promise for improvement to the quality of life of a significant portion of the population and is overall met with great enthusiasm from the scientific community as well as commercial interest. This work aims to develop a potential pipeline …

Evaluating Remote Economic Benefits Of Watershed-Scale Acid Mine Drainage Restoration, Rachel E. Pell

Graduate Theses, Dissertations, and Problem Reports

In 2011, the West Virginia Abandoned Mine Lands and Reclamation Program (WVAML) implemented a watershed-scale restoration project in Three Fork Creek, a 103 square-mile watershed in rural West Virginia impaired by acid mine drainage (AMD). This was accomplished through the installation of four in-stream lime dosers in 2011. Due to the great capital investment in the restoration of Three Fork Creek and an interest in applying this watershed-scale approach to other watersheds throughout West Virginia, it is of great interest to demonstrate the successes of this remediation. It has already been demonstrated that the watershed has visibly improved and is …

Capillary Electrophoresis: Method Development And Application In Biomolecule Analysis, Lindsay Marie Veltri

Graduate Theses, Dissertations, and Problem Reports

Abstract

Capillary Electrophoresis: Method Development and Application in Biomolecule Analysis

Lindsay Veltri

Biomolecule analysis is essential in disease diagnostics and the development of therapeutic agents. There is a vast array of methods available for biomolecule analysis, however, capillary electrophoresis is well-suited due to minimal sample consumption (~nanoliters of solution) and fast analysis times. In this report, capillary electrophoresis was used to analyze glycosylation of therapeutic proteins. Additionally, a capillary electrophoresis-mass spectrometry method is reported for the analysis of proteins.

Post-translation protein modifications like glycosylation, play an important in protein structure and function. Modifications of protein glycosylation can lead to improved …

Ion Velocity Distribution Functions In Cutting-Edge Plasmas, Mitchell Cameron Paul

Graduate Theses, Dissertations, and Problem Reports

Cutting-edge plasma experiments continue to push the frontiers of plasma science. Two such groups of experiments, helicon sources and laboratory magnetic reconnection, are the focus of this thesis. The relatively high plasma density achieved for modest input powers makes helicon source plasmas ideal testbeds for fusion-relevant phenomena without the complexities associated with fusion devices. Examples include plasma-material interaction (PMI) studies, divertor region studies, and boundary physics studies. As advancements in helicon source design and technology make operation at higher power for longer times possible, understanding of the plasma dynamics, particularly ion dynamics, is vital.

Laboratory experiments are essential to advancing …

Heterogeneous Oxidation Of Multi-Component Aqueous Organic Aerosols: The Effect Of Transport Phenomena And Reaction Compartment On Reaction Kinetics., Tadini Wenyika Masaya

Graduate Theses, Dissertations, and Problem Reports

The surface-bulk partitioning of small organic molecules in aqueous droplets was investigated using molecular dynamics. The air-particle interface was modeled using a 80-Å cubic water box containing series of organic molecules and surrounded by gaseous OH radicals. The properties of the organic solutes within the interface and the water-bulk were examined at a molecular-level using density profiles and radial pair distribution functions. Molecules containing only polar functional groups such as urea and glucose are found predominantly in the water bulk, forming an exclusion layer near the water surface. Substitution of a single polar group by an alkyl group in sugars …

Fashion Compatibility Prediction Using Ensemble Learning, Nathan Utzman

Graduate Theses, Dissertations, and Problem Reports

Fashion is important both financially and for self-expression. There are many tasks in the fashion domain which can be addressed with artificial intelligence. The task of fashion compatibility prediction is to determine how well a set of items work together to form an outfit. Two main tasks are typically used to evaluate the performance of a fashion compatibility prediction model – Outfit Compatibility Prediction and Fill in the Blank.

In this work, a compatibility prediction model, which is based on the graph autoencoder, is evaluated. This same model is then used in a homogeneous ensemble learning approach, proposed to improve …

Development Of Capillary Vibrating Sharp-Edge Spray Ionization For Improving Continuous Flow Mass Spectrometry Analysis, Chong Li

Graduate Theses, Dissertations, and Problem Reports

Capillary Vibrating Sharp-Edge Spray Ionization (cVSSI) is new ionization technique developed in the year of 2018. This ionization technique has attractive features such as simplicity, compactness, ease of manipulation, low costs, compatible with continuous flow, etc. However, the development of high performance cVSSI for mass spectrometry analysis is a process that needs unremitting optimizations. In this dissertation, I demonstrate the development of cVSSI for improving continuous flow mass spectrometry analysis. The chapter 2 focuses on improving the ionization efficiency of cVSSI through reducing the droplet size. Three strategies were tested to reduce the droplet size of VSSI. The most effective …

On The Classification Of Generalized Pseudo-Orthogonal Lie Groups Via Curvature, Cohomology, And Algebraic Structure, Adam C. Fletcher

Graduate Theses, Dissertations, and Problem Reports

The study of Lie groups has yielded a rich catalogue of mathematical spaces that, in some sense, provide a theoretical and computational framework for describing the “world in which we live.” In particular, these topological groups that represent the rigid motions of a space, the behavior of subatomic particles, and the shape of the expanding universe consist of specialized matrices. In what follows, we define a new collection of matrices with a very specific transposition relation and attempt to classify this Lie group algebraically, geometrically, and topologically. We consider fields, $\Bbb{F},$ of characteristic zero and define the group of pseudo-orthogonal …

Polarization Properties Of Millisecond Pulsars: Astrophysical Interpretations And Applications, Haley Megan Wahl

Graduate Theses, Dissertations, and Problem Reports

Pulsars are some of the most extreme objects in the universe; their small yet incredibly predictable spin periods coupled with their strong magnetic fields make them ideal laboratories for study. Not only are they interesting objects themselves, but they can also help us probe different astrophysical environments, such as the interstellar magnetic field and the solar corona.

These stars are highly polarized, and that polarization comes into play in various fields of pulsar physics (such as constraining models of pulsar emission), but obtaining that polarization information can be difficult, as the polarization properties of the light can change as the …

Synthesis, Characterization, And Activation Of Pyridine Dipyrrolide Supported Vanadium-Nitrogen Multiple Bonds, Jordan Cruz Martinez

Graduate Theses, Dissertations, and Problem Reports

The chemistry of coordination complexes of vanadium supported by pyridine di-pyrrolide pincer ligands was probed via the synthesis and investigation of a variety of compounds from the trivalent starting material, (^MesPDP^Ph)VCl(thf)₂. Under reducing conditions and subsequent addition of terpyridine, a redox transfer series (1-, 0, 1+) stemming from the neutral product (^MesPDP^Ph)V(terpy) was isolated and characterized by X-ray crystallography. The precise bond lengths, in conjunction with bulk magnetic susceptibility, allowed for a detailed study of the redox non-innocence of polypyridyl ligands in these systems.

Metathesis of the halide starting material …

Structure-Dependent Characterizations Of Multistationarity In Mass-Action Reaction Networks, Galyna Voitiuk

Graduate Theses, Dissertations, and Problem Reports

This project explores a topic in Chemical Reaction Network Theory. We analyze networks with one dimensional stoichiometric subspace using mass-action kinetics. For these types of networks, we study how the capacity for multiple positive equilibria and multiple positive nondegenerate equilibria can be determined using Euclidian embedded graphs. Our work adds to the catalog of the class of reaction networks with one-dimensional stoichiometric subspace answering in the affirmative a conjecture posed by Joshi and Shiu: Conjecture 0.1 (Question 6.1 [26]). A reaction network with one-dimensional stoichiometric subspace and more than one source complex has the capacity for multistationarity if and only …

Scaling Theory Of 3d Magnetic Reconnection X-Line Spreading, Milton Arencibia

Graduate Theses, Dissertations, and Problem Reports

Magnetic reconnection is fundamental process in plasmas that converts magnetic energy into kinetic and thermal energy via a change in magnetic topology. Magnetic reconnection is known to mediate eruptive solar flares, geomagnetic substorms that create the Northern lights, heating and particle acceleration in controlled fusion devices, and is thought to be an important process in numerous settings in high-energy astrophysics. Classical models of reconnection are two-dimensional (2D), but naturally occurring reconnection is three-dimensional (3D), and a manifestation of the 3D nature is that the x-line where the magnetic field topology changes has a finite extent in the direction normal to …

Characterizing The Effects Of Solvent And Analyte Properties On Ionization Efficiency By Novel Field-Free And Field-Enabled Ionization Techniques, Kinkini Udara Jayasundara

Graduate Theses, Dissertations, and Problem Reports

In recent years the mass spectrometry (MS) area of field and/or direct analysis has grown dramatically. As a result, field-portable and miniaturized mass spectrometers, introduced only a few years ago, are proliferating. A highly desired feature for field-portable MS, or in-field analysis, is the ability to use ionization techniques requiring very little sample preparation as well as an ability to generate the ions under ambient conditions. Recently, a new ambient ionization technique termed vibrating sharp-edge spray ionization (VSSI) has been introduced which overcomes the field-portable limitations of other spray-based methods including the requirements for auxiliary components (e.g., nebulizing gas and …

Black Walnut Plantations In West Virginia: Maximizing Financial Returns Through Decision Modeling And Cash Flow Analysis, Erin Duffy Shaw

Graduate Theses, Dissertations, and Problem Reports

The purpose of this study was to identify the management strategies that lead to maximum financial returns from a black walnut plantation. To evaluate a selection of plantation establishment scenarios, thinning treatments, and product objectives, an Excel-based black walnut financial model was updated and revised. Key updates to the model included incorporating three cash flows for 1) the collection and wholesale of black walnut sap, 2) producing black walnut syrup, and 3) leasing black walnut trees for tapping. Additionally, outputs from the Forest Vegetation Simulator were integrated into the model’s growth and yield projections as a means of more accurately …

Deep Learning Detection In The Visible And Radio Spectrums, Greg Clancy Murray

Graduate Theses, Dissertations, and Problem Reports

Deep learning models with convolutional neural networks are being used to solve some of the most difficult problems in computing today. Complicating factors to the use and development of deep learning models include lack of availability of large volumes of data, lack of problem specific samples, and the lack variations in the specific samples available. The costs to collect this data and to compute the models for the task of detection remains a inhibitory condition for all but the most well funded organizations. This thesis seeks to approach deep learning from a cost reduction and hybrid perspective — incorporating techniques …

From Evaluating The Performance Of Approximations In Density Functional Theory To A Machine Learning Design, Pedram Tavazohi

Graduate Theses, Dissertations, and Problem Reports

Density-functional theory (DFT) has gained popularity because of its ability to predict the properties of a large group of materials a priori. Even though DFT is exact, there are inaccuracies introduced into the theory due to the approximations in the exchange-correlation (XC) functionals. Over the 50 years of its existence, scientists have tried to improve the design of the XC functionals. The errors introduced by these functionals are not consistent across all types of solid-state materials. In this project, a high throughput framework was utilized to compare the theoretical DFT predictions with the experimental results available in the Inorganic Crystal …

Efficacy Of Reported Issue Times As A Means For Effort Estimation, Paul Phillip Maclean

Graduate Theses, Dissertations, and Problem Reports

Software effort is a measure of manpower dedicated to developing and maintaining and software. Effort estimation can help project managers monitor their software, teams, and timelines. Conversely, improper effort estimation can result in budget overruns, delays, lost contracts, and accumulated Technical Debt (TD). Issue Tracking Systems (ITS) have become mainstream project management tools, with over 65,000 companies using Jira alone. ITS are an untapped resource for issue resolution effort research. Related work investigates issue effort for specific issue types, usually Bugs or similar. They model their developer-documented issue resolution times using features from the issues themselves. This thesis explores a …

Inferential Statistics And Information Theoretical Measures: An Approach To Interference Detection In Radio Astronomy, Morgan R. Dameron

Graduate Theses, Dissertations, and Problem Reports

In a time when technology is rapidly growing, radio observatories are now able to expand their computational power to achieve higher receiver sensitivity power and a more flexible realtime computing approach to probe the universe for its composition and study new astronomical phenomena. This allows searches to go deeper into the universe, and results in the recording of massive quantities of observed data. At the same time, this increases the amount of radio frequency interference (RFI) found in the obtained observatory data. The high power of RFI easily masks the low power of extraterrestrial signals, making them hard to detect …