Physical Sciences and Mathematics Commons^™

First Principle Studies Of The Effects Of Alkali-Metal Intercalation On Structural Transition From Black To Blue Phosphorene And The Adsorption Of N2h4 On Ws2 Layers., Md Rajib Khan Musa

Electronic Theses and Dissertations

A comprehensive density functional theory calculation has been conducted to seek a potential structural transition from black to blue phosphorene layers, with a focus on the roles played by alkali-metal intercalation in black phosphorene/phosphorus. This study reveals that at sufficiently high Li concentration and specific, well-defined configurations, a phase transition from black to blue phosphorene can take place. The Li atoms intercalated in black phosphorene could act as a “catalyst” in the“reactive region” of the lone pair of P atoms, leading to a P-P bond breaking and, subsequently, a local structural transformation from an orthorhombic lattice to an assembly of …

Detailed Structural And Stratigraphic Analysis Of The Salt-Sediment Interactions On Top Of The Wheeler Dome Salt Tongue, Mississippi Canyon Area, Gulf Of Mexico, Ryan Jaska

Electronic Theses and Dissertations

The Mississippi Canyon is in the northeastern part of the Gulf of Mexico, south of the state of Mississippi. In this area, there are many different salt structures present including salt canopies, diapirs, and salt pillows. The Callovian aged Louann Salt covers this area and is the cause of many of the salt structures and structures of the overlying formations seen in Gulf of Mexico today. Salt is mobile when subjected to stress from overlying sediment and gravity. Stress will force the salt to not only move upward, but to also move down slope deeper into adjacent basins through the …

Impacts Of Oil And Gas Wastes On Landfill Leachate, Sewage Treatment Plants, And The Environment, Lauren Badertscher

Electronic Theses and Dissertations

Between January 2011 and March 2021 oil and gas wells in Pennsylvania produced

305,637,795 barrels of liquid waste and 6,992,957 tons of solid waste with the majority from

Marcellus Shale unconventional wells. This waste is not considered hazardous and over 89% of

the solid waste generated by unconventional and conventional oil and gas extraction has been

disposed of in landfills over the past decade. This study examined trends in the quantity of waste

produced and methods of disposal. Landfills accepting this waste were identified and their

general method of leachate treatment, using onsite facilities or offsite at wastewater treatment

plants, …

Investigation Of Ongoing Unconventional Gas Extraction And Underground Gas Storage In Pennsylvania: Regulations And Water Quality, Cassandra Ziegler

Electronic Theses and Dissertations

The extraction of unconventional shale gas and its underground gas storage have the potential to impact surface and groundwater water quality. In New Sewickley Township, Beaver County, Pennsylvania, 54 unconventional gas wells were drilled between 2013 and 2019. Groundwater samples from 33 water wells and surface water from Brush Creek (18 samples) were collected and analyzed for anions, cations, and light hydrocarbons. Results showed that at least 8 wells had indicators of brine contamination, and the surface waters of mine drainage. The Steckman Ridge natural gas storage field in Clearville, Bedford County, PA has 13 active storage wells. Samples were …

The Development And Optimization Of A Two-Dimensional Lc-Qqq-Ms-Method For The Combined Analysis Of Synthetic Cannabinoids And Designer Cathinones In Urine, Holly Penefsky

Electronic Theses and Dissertations

The compounds and chemical compositions of synthetic cannabinoids and designer cathinones are designed to mimic the intoxicating effects of D⁹-tetrahydrocannabinol and amphetamines, respectively. In order to skirt existing drug laws, non-controlled ingredients are used, and the original chemical structures of current drugs are being modified using analogs or derivatives. These continually changing chemical compositions pose a problem for policymakers, and forensic and analytical scientists, as users are able to attain a “legal high” and avoid detection in standard drug screens. Commonly, toxicology laboratories utilize a screening method, such as immunoassay, for the presumptive identification of designer drugs. When …

Development Of Standard Operating Procedure With Modified Method To Quantify Benzene And Other Volatile Organic Compounds In Air Samples Using Gas Chromatography, Heather Hall

Electronic Theses and Dissertations

Stephen F. Austin State University (SFASU) Department of Environmental Science has recently invested in a gas chromatograph which can be used to analyze air samples for volatile organic compounds (VOCs) such as benzene, toluene, ethylbenzene, and xylenes (BTEX). The goal of this project was to develop a standard operating procedure (SOP) and modify the current method for the detection of VOCs associated with oil and gas drilling activity to accommodate the equipment and capabilities of SFASU Environmental Assessment Lab. This study aims to provide the framework for future research in air quality monitoring in the Eagle Ford Shale area. An …

Seasonal Habitat Use Of Diamondback Terrapins (Malaclemys Terrapin) In North Inlet, Winyah Bay, Georgetown, South Carolina, Danielle Elizabeth Capella

Electronic Theses and Dissertations

No abstract provided.

Synthesis, Characterization, And Catalytic Activity Of Functionalized Metal Bis(Thiosemicarbazones)., Caleb Aaron Calvary

Electronic Theses and Dissertations

Bis-(thiosemicarbazones) are a class of ligands that have found a wide range of uses from electrocatalysts to medicinal and diagnostic reagents. These ligands contain a diimine backbone, N₂S₂ chelating core, and pendent amines. In order to further explore this class of ligands, the previously underreported transamination reaction, which exchanges one pendent amine group for another, was utilized to create several derivatives using aliphatic and aromatic amines. The transamination reaction is appealing alternative to making the desired thiosemicarbazide. Further appeals come from the fact that it is a one-pot reaction that gives highly pure products in good yields. …

Signal Fingerprinting And Machine Learning Framework For Uav Detection And Identification., Olusiji Oloruntobi Medaiyese

Electronic Theses and Dissertations

Advancement in technology has led to creative and innovative inventions. One such invention includes unmanned aerial vehicles (UAVs). UAVs (also known as drones) are now an intrinsic part of our society because their application is becoming ubiquitous in every industry ranging from transportation and logistics to environmental monitoring among others. With the numerous benign applications of UAVs, their emergence has added a new dimension to privacy and security issues. There are little or no strict regulations on the people that can purchase or own a UAV. For this reason, nefarious actors can take advantage of these aircraft to intrude into …

Micellar Nanocatalysis For Efficient Reactions., Uyen T Duong

Electronic Theses and Dissertations

Water is considered a green, sustainable, and inexpensive solvent for organic synthesis. However, performing organic reactions in water is especially challenging due to the inherent insolubility of substrates and catalysts. Inspired from Nature, where chemistry happens in water, micellar catalysis has recently gained much attention, especially for applications in pharmaceutical industry. Aqueous micelles are generally formed by amphiphile`s self-aggregation, a particular class of molecules possessing both hydrophobic and hydrophilic components. The aqueous micelle contains a hydrophobic cavity, which allows the lipophilic substrates and catalyst to go inside micelles, allowing their much higher localized concentration that enhances the reaction rates and …

The Food Truck Problem, Supply Chains And Extensions Of The Newsvendor Problem, Dennis Quayesam

Electronic Theses and Dissertations

Inventory control is important to ensuring sufficient quantities of items are available tomeet demands of customers. The Newsvendor problem is a model used in Operations Research to determine optimal inventory levels for fulfilling future demands. Our study extends the newsvendor problem to a food truck problem. We used simulation to show that the food truck does not reduce to a newsvendor problem if demand depends on exogenous factors such temperature, time etc. We formulate the food truck problem as a multi-product multi-period linear program and found the dual for a single item. We use Discrete Event Simulation to solve the …

Spatial Analyses Of Gray Fossil Site Vertebrate Remains: Implications For Depositional Setting And Site Formation Processes, David Carney

Electronic Theses and Dissertations

This project uses exploratory 3D geospatial analyses to assess the taphonomy of the Gray Fossil Site (GFS). During the Pliocene, the GFS was a forested, inundated sinkhole that accumulated biological materials between 4.9-4.5 mya. This deposit contains fossils exhibiting different preservation modes: from low energy lacustrine settings to high energy colluvial deposits. All macro-paleontological materials have been mapped in situ using survey-grade instrumentation. Vertebrate skeletal material from the site is well-preserved, but the degree of skeletal articulation varies spatially within the deposit. This analysis uses geographic information systems (GIS) to analyze the distribution of mapped specimens at different spatial scales. …

Isotopic Analysis And Mobility Mapping Of Mammuthus Columbi From The Mammoth Site In South Dakota, Matthew Harrington

Electronic Theses and Dissertations

The Mammoth Site in Hot Springs, South Dakota preserves a unique death assemblage of sub-adult and adult male Columbian mammoths (Mammuthus columbi). Extensive work on the site has led to a detailed understanding of the taphonomy of the assemblage; yet the life histories and ecology of these mammoths remain relatively unknown. Tooth enamel from four Mammoth Site mammoth individuals were bulk sampled with one of the individuals (MSL 742) also serially micro-sampled for 𝛿¹³C, 𝛿¹⁸O, and ⁸⁷Sr/⁸⁶Sr. Isotopic results indicate that MSL 742 remained within the southern and western Black Hills …

Performance Comparison Of Imputation Methods For Mixed Data Missing At Random With Small And Large Sample Data Set With Different Variability, Kyei Afari

Electronic Theses and Dissertations

One of the concerns in the field of statistics is the presence of missing data, which leads to bias in parameter estimation and inaccurate results. However, the multiple imputation procedure is a remedy for handling missing data. This study looked at the best multiple imputation methods used to handle mixed variable datasets with different sample sizes and variability along with different levels of missingness. The study employed the predictive mean matching, classification and regression trees, and the random forest imputation methods. For each dataset, the multiple regression parameter estimates for the complete datasets were compared to the multiple regression parameter …

Partially Oriented 6-Star Decomposition Of Some Complete Mixed Graphs, Kazeem A. Kosebinu

Electronic Theses and Dissertations

Let $M_v$ denotes a complete mixed graph on $v$ vertices, and let $S_6^i$ denotes the partial orientation of the 6-star with twice as many arcs as edges. In this work, we state and prove the necessary and sufficient conditions for the existence of $\lambda$-fold decomposition of a complete mixed graph into $S_6^i$ for $i\in\{1,2,3,4\}$. We used the difference method for our proof in some cases. We also give some general sufficient conditions for the existence of $S_6^i$-decomposition of the complete bipartite mixed graph for $i\in\{1,2,3,4\}$. Finally, this work introduces the decomposition of a complete mixed graph with a hole into …

Applying Deep Learning To The Ice Cream Vendor Problem: An Extension Of The Newsvendor Problem, Gaffar Solihu

Electronic Theses and Dissertations

The Newsvendor problem is a classical supply chain problem used to develop strategies for inventory optimization. The goal of the newsvendor problem is to predict the optimal order quantity of a product to meet an uncertain demand in the future, given that the demand distribution itself is known. The Ice Cream Vendor Problem extends the classical newsvendor problem to an uncertain demand with unknown distribution, albeit a distribution that is known to depend on exogenous features. The goal is thus to estimate the order quantity that minimizes the total cost when demand does not follow any known statistical distribution. The …

Using An Inventory Of Unstable Slopes To Prioritize Probabilistic Rockfall Modeling And Acid Base Accounting In Great Smoky Mountains National Park, Thomas A. O'Shea

Electronic Theses and Dissertations

An inventory of unstable slopes along transportation corridors and performance modeling are important components of geotechnical asset management in Great Smoky Mountains National Park (GRSM). Hazards and risk were assessed for 285 unstable slopes along 151 miles of roadway. A multi-criteria model was created to select fourteen sites for two-dimensional probabilistic rockfall simulations and Acid Base Accounting (ABA) tests. Simulations indicate that rock material would likely enter the roadway at all fourteen sites. ABA test results indicate that influence of significant acid-producing potential is generally confined to slaty rocks of the Anakeesta Formation and graphitic schist of the Wehutty Formation. …

Analysis And Risk Estimation Of High Priority Unstable Rock Slopes In Great Smoky Mountains National Park, Tennessee And North Carolina, Samantha Farmer

Electronic Theses and Dissertations

Great Smoky Mountains National Park (GRSM) received 12.5 million visitors in 2020. With a high traffic volume, it is imperative roadways remain open and free from obstruction. Annual unanticipated rockfall events in GRSM often obstruct traffic flow. Using the Unstable Slope Management Program for Federal Land Management Agencies (USMP for FLMA) protocols, this study analyzes high priority unstable rock slopes through 1) creation of an unstable slope geodatabase and 2) generation of a final rockfall risk model using Co-Kriging from a preliminary risk model and susceptibility model. A secondary goal of this study is to provide risk estimation for the …

Data Science And The Ice-Cream Vendor Problem, Makafui Azasoo

Electronic Theses and Dissertations

Newsvendor problems in Operations Research predict the optimal inventory levels necessary to meet uncertain demands. This thesis examines an extended version of a single period multi-product newsvendor problem known as the ice cream vendor problem. In the ice cream vendor problem, there are two products – ice cream and hot chocolate – which may be substituted for one another if the outside temperature is no too hot or not too cold. In particular, the ice cream vendor problem is a data-driven extension of the conventional newsvendor problem which does not require the assumption of a specific demand distribution, thus allowing …

Nitrogen-Doped Carbon Fiber Ultramicroelectrodes As Electrochemical Sensors For Detection Of Hydrogen Peroxide, Eric Wornyo

Electronic Theses and Dissertations

Carbon fiber ultramicroelectrodes (CF-UMEs) are commonly used as electrochemical probes and sensors due to their small size, fast response, and high signal-to-noise ratio. Surface modification strategies are often employed on CF-UMEs to improve their selectivity and sensitivity for desired applications. However, many modification methods are cumbersome and require expensive equipment. In this study, a simple approach known as soft nitriding is used to prepare nitrogen-doped CF-UMEs (N-CF-UMEs). Nitrogen groups introduced via soft nitriding act as electrocatalytic sites for the breakage of O-O bonds during the reduction of peroxides like H₂O₂, a common target of biosensing strategies. …

Synthesis Of The Diazonium Zwitterionic Polymer/Monomer For Use As The Electrolyte In Polymer Electrolyte Membrane (Pem) Fuel Cells, Josiah Marshall

Electronic Theses and Dissertations

My research goals are to synthesize new zwitterionic perfluorosulfonimide (PFSI) monomer/polymers. They are expected to replace traditionally used perfluorosulfonic acid (PFSA) polymers as the electrolyte in PEM fuel cells. For the PFSI monomer preparation, we designed a nine-step synthesis route. Thus far, I have successfully completed the synthesis of 4- (2-bromotetrafluoroethoxy)-benzenesulfonyl amide, 4-acetoxybenzenesulfonic acid sodium salt, and 4-chlorosulfonyl phenyl acetate. The coupling reaction of 4-(2-bromotetrafluoroethoxy)- benzenesulfonyl amide with 4-chlorosulfonyl phenyl acetate, was troublesome due to slow reaction kinetics and byproducts. Additionally, I did a methodology study for the homopolymerziation of the perfluoro 3(oxapent-4-ene) sulfonyl fluoride monomer. We compared the weight …

An Electrochemical Immunoassay System For Measuring Circulating Protein Biomarkers Of Pediatric Soft Tissue Sarcoma, Ivy Antwi

Electronic Theses and Dissertations

Measurement of circulating protein biomarkers associated with disease can facilitate early detection, help guide treatment strategies and improve patient outcomes beyond current standards of care. The combination of inexpensive 3D-printed flow cells and electrochemical biosensors has recently emerged as a viable platform for low-cost, reliable biomarker measurements. Here, we report an electrochemical immunoassay system based on simple graphite electrode arrays, 3D-printed flow cells, and signal-generating magnetic bead bioconjugates for simultaneous detection of three biomarker proteins (cancer antigen 125 (CA-125), midkine (MK) and osteopontin (OPN)) associated with pediatric soft tissue sarcomas (PSTS). Magnetic bead bioconjugates are functionalized with large amounts of …

Synthesis Of Flagellin 22 As A Probe For Plant Signaling And Molecular Trafficking Towards Improved Crops, Edward Offei

Electronic Theses and Dissertations

Plant signaling involves the transport of information within and between plant cells from receptors to effectors. Plants are affected by biotic and abiotic stress conditions like insect attack and extreme temperatures, respectively, which cause disease, the induction of senescence and the reduction of crop yield. To improve plant traits for feed, fiber, and energy applications, it is critical to understand the short- and long-range signaling mechanisms plants use to control growth, biomass composition, senescence and responses to environmental stresses. It is known that many plant signaling molecules have profound effects on plants, through mechanisms that remain largely obscure. A key …

Photophysics Of Substituted [1,4]Benzodioxino[3,2-B]Oxanthrene (Bdo) Chromophores And Their Macromolecules: A Spectroscopy And Density Functional Theory Study., Abdelqader M. Jamhawi

Electronic Theses and Dissertations

Chromophores and macromolecules containing [1,4]benzodioxino[3,2-b]oxanthrene (BDO) has attracted attention since the beginning of this century. Previous studies demonstrated their potential in wide range of applications including gas permeability, hydrogen and energy storage, sensing, and catalysis. Better understanding of the geometrical and electronic structure characteristics of BOD-based chromophores is vital to advance their employment in these applications. This work utilizes spectroscopy techniques coupled with density functional theory methods to provide this required understanding. Substituted BDOs exhibit red-shift of >1 eV in their electronic transitions compared to unsubstituted BDOs. This shift is explained by a molecular orbital reorganization induced by the substituents. …

Recent Studies On The Synthesis Of Medicinal Molecules., Paige Monsen

Electronic Theses and Dissertations

Medicinal chemistry interfaces synthetic organic chemistry, natural product chemistry and chemical biology, with a goal of yielding therapeutic agents. Natural products or compounds derived from natural sources such as plants, animals, and microorganisms, are often biologically active and render that compound a likely drug lead. For thousands of years humankind has utilized natural products for medicinal purposes and consequently scientists take advantage of both these compounds’ core structural characteristics and their modes of actions on selected targets as inspiration to develop therapeutics. Because the total synthesis of such complex molecules can be cumbersome and expensive, semi-synthetic methods on isolated natural …

Lightweight Mutual Authentication And Privacy Preservation Schemes For Iot Systems., Samah Mansour

Electronic Theses and Dissertations

Internet of Things (IoT) presents a holistic and transformative approach for providing services in different domains. IoT creates an atmosphere of interaction between humans and the surrounding physical world through various technologies such as sensors, actuators, and the cloud. Theoretically, when everything is connected, everything is at risk. The rapid growth of IoT with the heterogeneous devices that are connected to the Internet generates new challenges in protecting and preserving user’s privacy and ensuring the security of our lives. IoT systems face considerable challenges in deploying robust authentication protocols because some of the IoT devices are resource-constrained with limited computation …

Predictive Modeling Of Clinical Outcomes For Hospitalized Covid-19 Patients Utilizing Cytof And Clinical Data., Onajia Stubblefield

Electronic Theses and Dissertations

In December 2019, an outbreak of a novel coronavirus initiated a global pandemic. Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a virus that causes the disease coronavirus disease 2019 (COVID-19). Symptoms of infection with COVID-19 vary widely between individuals. While some infected individuals are asymptomatic, others need more extensive care and require hospitalization. Indeed, the COVID-19 pandemic was characterized by a shortage of hospital beds which presented additional complications in providing adequate care for patients. In this study, we used a combination of T cell population data collected from mass cytometry analysis and clinical markers to form a predictive …

Develop A Multi-Functional Green Pervious Concrete (Mgpc) Pavement With Polycyclic Aromatic Hydrocarbons (Pahs) Removal Function., Hong Shang

Electronic Theses and Dissertations

Stormwater runoff induced Polycyclic Aromatic Hydrocarbons (PAHs) contaminant increasingly imperils the groundwater quality and the sustainable development of human society due to the potential carcinogenic risks. Pavement can be considered as the first line of defense for contaminant removal of the stormwater runoff. New construction materials with stormwater runoff quantity and quality control are in urgent demand for updating the existing pavement system. An innovative material called Multi-functional Green Pervious Concrete (MGPC) was developed in the department of Civil and Environmental Engineering at University of Louisville. This material uses organoclay as the amendment to enhance the PAHs removal capacity of …

Manifold Learning With Tensorial Network Laplacians, Scott Sanders

Electronic Theses and Dissertations

The interdisciplinary field of machine learning studies algorithms in which functionality is dependent on data sets. This data is often treated as a matrix, and a variety of mathematical methods have been developed to glean information from this data structure such as matrix decomposition. The Laplacian matrix, for example, is commonly used to reconstruct networks, and the eigenpairs of this matrix are used in matrix decomposition. Moreover, concepts such as SVD matrix factorization are closely connected to manifold learning, a subfield of machine learning that assumes the observed data lie on a low-dimensional manifold embedded in a higher-dimensional space. Since …

Prediction Intervals: The Effects And Identification Of Sparse Regions For Nonparametric Regression Methods, Jackson Faires

Electronic Theses and Dissertations

In this work, we provide an overview of different nonparametric methods for prediction interval estimation and investigate how well they perform when making predictions in sparse regions of the predictor space. This sparsity is an extension to the more common concept of extrapolation in linear regression settings. Using simulation studies, we show that coverage probabilities using prediction intervals from quantile k-nearest neighbors and quantile random forest can be biased to low or too high from the nominal level under various situations of sparsity. We also introduce a test that can be used to see if a new data point lies …