Physical Sciences and Mathematics Commons^™

Assessing Machine Learning Utility In Predicting Hydrologic And Nitrate Dynamics In Karst Agroecosystems, Timothy Mcgill

Theses and Dissertations--Biosystems and Agricultural Engineering

Seasonal hypoxia in the Gulf of Mexico and harmful algal blooms experienced in many inland freshwater bodies is partially driven due to excessive nitrogen loading seen from agricultural watersheds. Within the Mississippi/Atchafalaya River Basin, many areas are underlain with karst features, and efforts to reduce nitrogen contributions from these areas have had varying success, due to lacking a complete understanding of nutrient dynamics in karst agricultural systems. To improve the understanding of nitrogen cycling in these systems, 35 months of high resolution in situ water quality and atmospheric data were collected and fed into a two-hidden layer extreme learning machine …

Building Tools For Improved Modulation Of The Human Gabaa Receptor, A Central Nervous System Target For The Treatment Of Anxiety, Garrett Edward Zinck

Theses and Dissertations--Pharmacy

In the U.S., anxiety is recognized as an increasing range of mentally and physically debilitating psychiatric health disorders with significant economic repercussions. Over the last 20 years, several novel anti-anxiety therapies have entered the drug development pipeline, but none have made it to market.

The work in this dissertation focused on structurally modifying valerenic acid (VA), a structurally unique carboxylated sesquiterpene acid found in Valeriana officinalis. VA is putatively reported to have allosteric modulatory activity of the human GABA_A receptor, a ligand-gated ion channel responsible for attenuating neurotransmissions. Structural modeling of VA’s GABA_A receptor interaction suggests that …

Investigating The Physical Stability Of Amorphous Pharmaceutical Formulations, Travis W. Jarrells

Theses and Dissertations--Pharmacy

Amorphous formulations, including amorphous solid dispersions (ASDs), consisting of the active pharmaceutical ingredient (API) intimately mixed in a polymeric matrix, are an attractive formulation approach to improve drug delivery, dissolution, and solubility. However, an amorphous API in an ASD is in a higher energy state compared to the crystalline drug and results in most ASDs being inherently unstable. The polymer helps to stabilize the amorphous drug against crystallization such that the resulting homogenous mixture maintains its solubility advantage relative to the crystalline form. One challenge of ASDs is that the presence of impurities including crystals or residual solvent, variations in …

Development Of Accurate And Efficient Computational Methodologies For Predicting Protein-Ligand And Protein-Protein Binding Free Energies, Alexander Hamilton Williams

Theses and Dissertations--Pharmacy

Computational modeling is an invaluable tool in the drug discovery process either for small ligand or protein therapeutics. The widespread availability of protein X-Ray Crystal and Cryo-Electron Microscopy (Cryo-EM) structures has allowed for more accurate molecular dynamics (MD) simulations that are not reliant on methods such as homology modeling, which may produce structures that require significant computational time to demonstrate their stability. In this thesis we describe several novel methodologies for the computationally efficient modeling of protein/ligand and protein/protein complexes that may be employed within both large-scale virtual screenings and lead compound optimization. These methodologies may also be utilized in …

Thermalization And Quantum Information In Conformal Field Theory, Ashish Kakkar

Theses and Dissertations--Physics and Astronomy

The consequences of the constraints of conformal symmetry are far-reaching within
theoretical physics. In this dissertation we address a series of questions in conformal
field theory: 1) We calculate the spectrum of qKdV charges in a large central charge
expansion. 2) We determine the corrections to bulk information geometry from 1/N
contributions to holographic correlators. 3) We study the higher genus partitions
functions of CFTs associated with classical and quantum error-correcting codes.

High Performance Data Acquisition And Analysis Routines For The Nab Experiment, David Mathews

Theses and Dissertations--Physics and Astronomy

Probes of the Standard Model of particle physics are pushing further and further into the so-called “precision frontier”. In order to reach the precision goals of these experiments, a combination of elegant experimental design and robust data acquisition and analysis is required. Two experiments that embody this philosophy are the Nab and Calcium-45 experiments. These experiments are probing the understanding of the weak interaction by examining the beta decay of the free neutron and Calcium-45 respectively. They both aim to measure correlation parameters in the neutron beta decay alphabet, a and b. The parameter a, the electron-neutrino correlation coefficient, is …

Understanding The Degradation Mechanism In Methyl Ammonium Lead Halide Perovskite And Black Phosphorene Via Electrical Transport Study, Huda Saleh Aljeailan

Theses and Dissertations--Physics and Astronomy

This work seeks to understand the degradation mechanism of technically important material systems such as black phosphorene (BP), arsenic phosphorene (AsP) and Methyl ammonium lead iodide (CH₃NH₃PbI₃) perovskite. Degradation studies were conducted by studying the in-situ electrical transport properties (resistance and thermoelectric power (TEP)) of these materials in vacuum (under annealed condition) and after exposure to the ambient air.

BP and both exhibited p-type semiconducting (positive TEP) behavior under annealed conditions and the changes in their transport properties upon exposure to ambient air can be explained as due to the charge transfer between the …

Photocatalytic Degradation Of Lignin By Supported Silver Nanoparticles, Ning Wei

Theses and Dissertations--Chemical and Materials Engineering

Lignin is the second most abundant form of biomass on earth. The phenolic structure and high carbon to oxygen ratio make lignin an attractive renewable source of fuel and chemicals. However, its recalcitrance and heterogeneous nature prove difficult for decomposing lignin’s polymer structure and separation of the products. This work has focused on the use of low-energy catalytic approaches to overcome these barriers. A mimic of the lignin degrading enzyme laccase, consisting of a copper cluster Cu4Py4I4 modified with AgNO3, was developed to function similarly to the laccase active site. The prepared copper complex solution was found to be active …

Exploration Of Lignin-Based Superabsorbent Polymers (Hydrogels) For Soil Water Management And As A Carrier For Delivering Rhizobium Spp., Toby Adjuik

Theses and Dissertations--Biosystems and Agricultural Engineering

Superabsorbent polymers (hydrogels) as soil amendments may improve soil hydraulic properties and act as carrier materials beneficial to soil microorganisms. Researchers have mostly explored synthetic hydrogels which may not be environmentally sustainable. This dissertation focused on the development and application of lignin-based hydrogels as sustainable soil amendments. This dissertation also explores the development of pedotransfer transfer functions (PTFs) for predicting saturated hydraulic conductivity using statistical and machine learning methods with a publicly available large data set. A lignin-based hydrogel was synthesized, and its impact on soil water retention was determined in silt loam and loamy fine sand soils. Hydrogel treatment …

Synthesis Of 6,6- And 7,7-Difluoro-1-Acetamidopyrrolizidines And Their Oxidation Catalyzed By The Nonheme Fe Oxygenase Lolo, Nabin Panth

Theses and Dissertations--Chemistry

One of the remarkable steps in loline alkaloid biosynthesis is the installation of an ether bridge between two unactivated C atoms in 1-exo-acetamidopyrrolizidine (AcAP). LolO, a 2-oxoglutarate-dependent nonheme Fe oxygenase, catalyzes both the hydroxylation of AcAP and the resulting alcohol's cycloetherification to give N-acetylnornoline (NANL). The mechanism of hydroxylation is well understood, but the mechanism of the oxacyclization is not. I synthesized difluorinated analogs of AcAP in an attempt to further understand the mechanism of the unusual cycloetherification step.

I prepared 6,6-F₂-AcAP in eight steps from N,O-protected 4-oxoproline. The key step was a Dieckmann …

Crystal Engineering Of Asymmetric And Pyrene Fused Annulenes For Use In Organic Electronic Materials, Garrett Fregoso

Theses and Dissertations--Chemistry

Since the development of TiPS Pentacene, the use of trialkylsilylethynyl groups has become a commonly utilized moiety for stabilizing, solubilizing, and directing crystal packing of acenes and acene-like compounds, leading to the development of a well-defined series of trends that aid in the prediction of crystal packing for the development of organic semiconducting materials. While these trends have been extensively studied in mainly symmetric linear systems, it is important to determine how, if at all, asymmetry of the aromatic core affects these well-defined trends. This constitutes the basis of Chapter 2, which explores the crystal engineering and physical properties of …

The Role Of Charge On Dna Packaging And Integrity Within Reconstituted Peptide-Dna Assemblies, Ehigbai Oikeh

Theses and Dissertations--Chemistry

In nature, DNA exists primarily in a highly compacted form. The compaction of DNA in vivo is mediated by cationic proteins; histone in somatic nuclei and arginine-rich peptides called protamines in sperm chromatin. The packaging in the sperm nucleus is significantly higher than somatic nuclei resulting in a final volume roughly 1/20^th that of a somatic nucleus. This tight packaging results in a near crystalline packaging of the DNA helices. While the dense packaging of DNA in sperm nuclei is considered essential for both efficient genetic delivery as well as DNA protection against damage by mutagens and oxidative species, …

Nanomaterial Synthesis And Real Time Investigation Of Thermal Effects On Nanomaterial And Nano-Interfaces For Real World Applications, Rose H. Pham

Theses and Dissertations--Chemistry

As interest in nanomaterials and nanotechnology continues to grow, so does the need for more efficient and economical synthesis methods to keep up with the demand. The applications for nanomaterials are seemingly endless as they have functions in energy, biomedical, environmental, and many more. Working to develop different morphologies and sizes of nanomaterials will further help expand its utility. With the use of advanced characterization techniques such as in situ transmission electron microscopy (TEM), real time studies on the effects of external forces on nanomaterials are possible under controlled environments. This will give insight on how nanomaterials will perform in …

The Site Evaluation Of Quercus Alba Metabolites, Zachary Alexander Byrd

Theses and Dissertations--Plant and Soil Sciences

Quercus alba has been the prominent tree species utilized in the spirits industry for decades. Of its many qualities, the ability to impart desirable flavors on spirits combined with its natural abundance makes it the ideal choice for barrels. Creating barrels is a uniform process, but variability still exists in aged spirits even when all other parameters are controlled. In this thesis, I explore how the origin of Quercus alba influences metabolite variability.

Quercus alba is a resilient species that can grow in many climates. This is seen through Quercus alba’s vast growing range, of which barrel quality white oak …

An Integrated Computational Pipeline To Construct Patient-Specific Cancer Models, Daniel Plaugher

Theses and Dissertations--Mathematics

Precision oncology largely involves tumor genomics to guide therapy protocols. Yet, it is well known that many commonly mutated genes cannot be easily targeted. Even when genes can be targeted, resistance to therapy is quite common. A rising field with promising results is that of mathematical biology, where in silico models are often used for the discovery of general principles and novel hypotheses that can guide the development of new treatments. A major goal is that eventually in silico models will accurately predict clinically relevant endpoints and find optimal control interventions to stop (or reverse) disease progression. Thus, it is …

Statistical Theory For Specialized Linear Regression Adjustment Methods Compared To Multiple Linear Regression In The Presence And Absence Of Interaction Effects, Leon Su

Theses and Dissertations--Statistics

When building models to investigate outcomes and variables of interest, researchers often want to adjust for other variables. There is a variety of ways that these adjustments are performed. In this work, we will consider four approaches to adjustment utilized by researchers in various fields. We will compare the efficacy of these methods to what we call the ”true model method”, fitting a multiple linear regression model in which adjustment variables are model covariates. Our goal is to show that these adjustment methods have inferior performance to the true model method by comparing model parameter estimates, power, type I error, …

Deriving The Distributions And Developing Methods Of Inference For R2-Type Measures, With Applications To Big Data Analysis, Gregory S. Hawk

Theses and Dissertations--Statistics

As computing capabilities and cloud-enhanced data sharing has accelerated exponentially in the 21st century, our access to Big Data has revolutionized the way we see data around the world, from healthcare to investments to manufacturing to retail and supply-chain. In many areas of research, however, the cost of obtaining each data point makes more than just a few observations impossible. While machine learning and artificial intelligence (AI) are improving our ability to make predictions from datasets, we need better statistical methods to improve our ability to understand and translate models into meaningful and actionable insights.

A central goal in the …

Beta Mixture And Contaminated Model With Constraints And Application With Micro-Array Data, Ya Qi

Theses and Dissertations--Statistics

This dissertation research is concentrated on the Contaminated Beta(CB) model and its application in micro-array data analysis. Modified Likelihood Ratio Test (MLRT) introduced by [Chen et al., 2001] is used for testing the omnibus null hypothesis of no contamination of Beta(1,1)([Dai and Charnigo, 2008]). We design constraints for two-component CB model, which put the mode toward the left end of the distribution to reflect the abundance of small p-values of micro-array data, to increase the test power. A three-component CB model might be useful when distinguishing high differentially expressed genes and moderate differentially expressed genes. If the null hypothesis above …

Matrix Interpretations And Tools For Investigating Even Functionals, Benjamin Stringer

Theses and Dissertations--Computer Science

Even functionals are a set of polynomials evaluated on the terms of hollow symmetric matrices. Their properties lend themselves to applications such as counting subgraph embeddings in generic (weighted or unweighted) host graphs and computing moments of binary quadratic forms, which occur in combinatorial optimization. This research focuses primarily on counting subgraph embeddings, which is traditionally accomplished with brute-force algorithms or algorithms curated for special types of graphs. Even functionals provide a method for counting subgraphs algebraically in time proportional to matrix multiplication and is not restricted to particular graph types. Counting subgraph embeddings can be accomplished by evaluating a …

Smart Decision-Making Via Edge Intelligence For Smart Cities, Nathaniel Hudson

Theses and Dissertations--Computer Science

Smart cities are an ambitious vision for future urban environments. The ultimate aim of smart cities is to use modern technology to optimize city resources and operations while improving overall quality-of-life of its citizens. Realizing this ambitious vision will require embracing advancements in information communication technology, data analysis, and other technologies. Because smart cities naturally produce vast amounts of data, recent artificial intelligence (AI) techniques are of interest due to their ability to transform raw data into insightful knowledge to inform decisions (e.g., using live road traffic data to control traffic lights based on current traffic conditions). However, training and …

2021 Kentucky River Watershed Watch: Annual Report, Malissa Mcalister, Steven Evans

Kentucky River Watershed Watch

No abstract provided.

Supporting Stylized Language Models Using Multi-Modality Features, Chengxi Li

Theses and Dissertations--Computer Science

As AI and machine learning systems become more common in our everyday lives, there is an increased desire to construct systems that are able to seamlessly interact and communicate with humans. This typically means creating systems that are able to communicate with humans via natural language. Given the variance of natural language, this can be a very challenging task. In this thesis, I explored the topic of humanlike language generation in the context of stylized language generation. Stylized language generation involves producing some text that exhibits a specific, desired style. In this dissertation, I specifically explored the use of multi-modality …

Angular Distribution Of Electron-Helium Scattering In The Presence Of A 1.17 Ev Laser Field, Brian N. Kim

Theses and Dissertations--Physics and Astronomy

We have measured relative differential cross sections for 350 eV electrons scattered by a helium target in the presence of 1.17 eV photons from an Nd:YAG laser. We report an angular distribution of free-free electrons that were scattered elastically at angles between 15^o and 80^o and of free-free electrons that underwent the process of electron-impact excitation of helium to its unresolved (1s2s)¹S and (1s2p)¹P excited states at angles between 1^o and 80^o. Our experiments test the momentum transfer dependence and the relationship between elastic and inelastic scattering in the Kroll-Watson approximation. …

An Energy-Integrated Analysis For Measuring The Anomalous Precession Frequency For The Muon G − 2 Experiment At Fermilab, Laura Kelton

Theses and Dissertations--Physics and Astronomy

In the search for physics beyond the Standard Model, the Muon g − 2 Experiment at Fermilab (E989) will make the most precise measurement of the anomalous magnetic moment of the muon, a_μ. Improvements in precision come from both increased statistics and new techniques to significantly reduce previous systematic uncertainties. The muon a_μ is determined by extracting both the anomalous spin precession frequency, ω_a, and the average magnetic field sampled by the muons, B. Traditionally an energy threshold analysis method which requires reconstruction of decay positrons from the muon decay, μ⁺ → e^{+ …}

Learning A Scalable Algorithm For Improving Betweenness In The Lightning Network, Vincent Davis

Theses and Dissertations--Computer Science

This paper presents a scalable algorithm for solving the Maximum Betweenness Improvement Problem as it occurs in the Bitcoin Lightning Network. In this approach, each node is embedded with a feature vector whereby an Advantage Actor-Critic model identifies key nodes in the network that a joining node should open channels with to maximize its own expected routing opportunities. This model is trained using a custom built environment, lightning-gym, which can randomly generate small scale-free networks or import snapshots of the Lightning Network. After 100 training episodes on networks with 128 nodes, this A2C agent can recommend channels in the Lightning …

Enhancements To Uniformity Of Magnetic Fields At The Sns Nedm Experiment, Ahmad Saftah

Theses and Dissertations--Physics and Astronomy

The nEDM experiment at the Spallation Neutron Source (SNS) aims to increase
experimental sensitivity to hadronic CP violation by nearly two orders of magnitude.To do that the nEDMSNS experiment requires an extremely uniform magnetic field to maintain ³He polarization during transit to the measurement cell. The Magnetic Shield Enclosure (MSE) coil provides the required field. However, the superconducting shield distorts the MSE field.

This thesis discusses a magnetic cloak for the nEDM@SNS experiment that can restore the MSE field uniformity and cos theta coils designed to test the magnetic cloak in the first part. The second part of this …

Milky Way Morphology Probed By 6d Astrometric Data From The Gaia Space Telescope, Joshua Taylor Harry

Theses and Dissertations--Physics and Astronomy

At varying height above and below the plane of the Milky Way, I have used astrometric methods to classify stars of different galactic components of the Milky Way - the thin disk, thick disk, and stellar halo. This work complements prior study of Milky Way sub-structure - notably involving number density and/or pairwise correlations - which demonstrate non-steady state effects in the galaxy, such as axial/north-south symmetry breaking or more complex phenomena like the Gaia snail. This has motivated my exploration of stellar population changes with height about the Milky Way mid-plane, and the study of symmetry in such changes …

Data Acquisition, Analysis And Simulations For The Fermilab Muon G−2 Experiment, Fang Han

Theses and Dissertations--Physics and Astronomy

The goal of the new Muon g-2 E989 experiment at Fermi National Accelerator Laboratory (FNAL) is a precise measurement of the muon anomalous magnetic moment, a_μ ≡ (g-2)/2. The previous BNL experiment measured the anomaly a_μ(BNL) with an uncertainty of 0.54 parts per million (ppm). The discrepancy between the current standard model calculation of the a_μ(SM) and the previous measurement a_μ(BNL) is over 3σ. The FNAL Muon g-2 experiment aims at increasing the precision to 140 parts per billion (ppb) to resolve the discrepancy between the theoretical …

Long Term Observation Of The Grassland Vegetation Used Intensively Or Extensively And Ecologically, H.-D. Matthes, J. Matthes, W. Jentsch, V. Pastushenko

IGC Proceedings (1993-2023)

The aim of the present paper was to study alterations of the grassland flora from 55 plots following a more extensive management under long term observation within 6 years. Extensification of grassland use leads to an increase of the numbers of plant species by 32%, “Red-list-species” included. The moisture number of the soils slightly increased and the reaction and nitrogen numbers decreased. Results are presented for different vegetation units.

Influence Of Extensive Management On Botanical Composition Of Permanent Meadow Sward, K. Mlynarczyk, E. Korona, E. Marks

IGC Proceedings (1993-2023)

The aim of undertaken investigations was to find the possibilities of grassland management with special respect to the biodiversity and the landscape conservation. Changes in botanical composition of the meadow sward against a background of different mowing utilization were examined on the semi-natural meadows situated on the peat-mursh soil in Masurian Landscape Park (north-east Poland). The areas mown with biennial pause and completely turned off from uses followed gradual simplifying of species composition and increasing of bog species participation. Results show on advisability of passing one harvest each year or with one-year pauses.