Digital Commons Network^™

Geometry And Dynamics Of Rolling Systems, Bowei Zhao

Arts & Sciences Electronic Theses and Dissertations

Billiard systems, broadly speaking, may be regarded as models of mechanical systems in which rigid parts interact through elastic impulsive collision forces. When it is desired or necessary to account for linear/angular momentum exchange in collisions involving a spherical body, a type of billiard system often referred to as no-slip has been used. Previous work indicated that no-slip billiards resemble non-holonomic systems, specifically, systems consisting of a ball rolling on surface. In prior research, such connections were only observed numerically and were restricted to very special surfaces. In this thesis, it is shown that no-slip billiard and rolling systems are …

The Isotropic And Anisotropic Structure Of Antarctica From Seismic Inversion, Zhengyang Zhou

Arts & Sciences Electronic Theses and Dissertations

This dissertation utilizes multiple techniques of earthquake tomography to investigate the seismic structure of the crust and mantle beneath Antarctica. The isotropic structure of the Antarctic crust and upper mantle is now constrained by several seismic studies, but until now few studies have investigated the anisotropic structure. Therefore, in this study, I focus on the anisotropic structure, which is crucial information to understanding current or historic deformation and flow patterns, as well as the organic process of Antarctica. I use the data from the seismic stations deployed on the Antarctica continent during the past 20 years, as well as other …

The Physics Of Associative Polymers And Applications To Biomolecular Condensates, Furqan Dar

Arts & Sciences Electronic Theses and Dissertations

Biomolecular condensates represent a new and ubiquitous class of membraneless organelles (MLOs) that are essential for healthy cellular functioning. The constituent molecules of such condensates span a vast bio-macromolecular gamut from intrinsically disordered regions and proteins (IDPs/IDRs), to RNA and RNA-binding proteins (RNPs), to polymerases and DNA etc. Apart from being part of the regular healthy cell cycle, these condensates are also implicated in many diseases, most notably progressive neurodegenerative diseases like Amyotropic Lateral Sclerosis (ALS) and Huntingtin's Disease (HD). Since the constituent molecules of these condensates span a broad range of length scales and modes of interaction, uncovering a …

Toward Enhancing The Synthesis Of Renewable Polymers: Feedstock Conversions And Functionalizable Copolymers, Tedd Casey Wiessner

Arts & Sciences Electronic Theses and Dissertations

This thesis describes research under the rubric of the Center for Sustainable Polymers that is aimed at two separate goals. The goal of the first project (Chapters 1 and 2) was to develop a deeper mechanistic understanding of a method for the synthesis of linear α-olefins, while the second aimed at synthesizing statistical copolymers that incorporate olefin-containing monomers through ring-opening transesterification polymerization and showing that these copolymers could be functionalized. In Chapter 1, published methods for the conversion of fatty acids to linear α-olefins are reviewed to provide context for the mechanistic work we accomplished (Chapter 2). In Chapter 2 …

Functionalized Plasmonic Nanostructures For Ultrasensitive Single Cell Analysis, Priya Rathi

Arts & Sciences Electronic Theses and Dissertations

Ultrasensitive detection and quantification of soluble, secreted and cell surface-bound proteins is critical for advancing our understanding of cellular systems, enabling effective drug development, novel therapies, and bio-diagnostics. However, exiting technologies are largely limited by their sensitivity, making the detection and quantification of low-abundant proteins extremely challenging. This forms a major barrier in various fields of biology and biomedical sciences. In this work, we introduce novel cellular analysis methodologies based on plasmon-enhanced fluorescence for analyzing cell structure and probing surface and secreted proteins from cells. In the first part, we introduce plasmon-enhanced expansion microscopy and demonstrate the effectiveness of employing …

Development Of Redox-Responsive Phenazine-Based Foldamers. Acylative Kinetic Resolution Of Hydroxamic Acids, Jingwei Yin

Arts & Sciences Electronic Theses and Dissertations

Two different research directions have been presented in this thesis. The first project is about phenazine-based foldamers as molecular actuators. Researchers have been interested in the design and synthesis of foldamers and molecular actuators for years. We began our exploration by demonstrating that phenazine-1,6-dicarboxamides can function as redox-responsive molecular switches. We then designed and synthesized two generations of phenazine-based interleafed foldamers and studied their stability and redox behaviors under chemical and electrochemical conditions. In the second project, we have developed the first acylative kinetic resolution on hydroxamic acids. Although chiral hydroxamic acids have extensive applications, synthetic methods towards them are …

Quasiparticle And Excitonic Effects In Two-Dimensional Van Der Waals Materials, Linghan Zhu

Arts & Sciences Electronic Theses and Dissertations

Since their discovery, low dimensional van der Waals materials have attracted increasing research interests. They serve as ideal platforms to study novel physics in reduced-dimensional systems, and are critical in nowadays’ nanotechnology applications. Due to the reduced dielectric screening in low dimensions, strong excited state properties dictate their electronic, transport and optical properties, the study of which calls for a description of the many-particle interactions beyond the traditional density functional theory. This is where the many-body perturbation theory comes into play. In this thesis, I will present a comprehensive study of the quasiparticle and excitonic properties of a variety of …

A Synthesis-Based Approach To The Study Of Fe(Ii) Oxidation In Smectites, Robert Joe Kupper Ii

Arts & Sciences Electronic Theses and Dissertations

Smectite clay minerals are present in diverse environments on Earth as a major product of silicate weathering. Although smectites are compositionally varied, they almost always incorporate iron. Iron-bearing smectites are an important component of the biogeochemical iron cycle, serving as a major iron fraction in many soils and altered rocks as well as participating in redox reactions within the surrounding environment. Iron incorporates into smectites in the ferric [Fe(III)] form at the modern, oxygenated surface of Earth but clays forming in anoxic settings instead incorporate ferrous iron [Fe(II)]. Owing to their ubiquity at the surface of the modern Earth, the …

Dealing With Dimensionality: Problems And Techniques In High-Dimensional Statistics, Cezareo Rodriguez

Arts & Sciences Electronic Theses and Dissertations

In modern data analysis, problems involving high dimensional data with more variables than subjects is increasingly common. Two such cases are mediation analysis and distributed optimization. In Chapter 2 we start with an overview of high dimensional statistics and mediation analysis. In Chapter 3 we motivate and prove properties for a new marginal screening procedure for performing high dimensional mediation analysis. This screening procedure is shown via simulation to perform better than benchmark approaches and is applied to a DNA methylation study. In Chapter 4 we construct a cryptosystem that accurately performs distributed penalized quantile regression in the high-dimensional setting …

Systems Level Analysis Of Organelle Biogenesis In Saccharomyces Cerevisiae, Kiandokht Panjtan Amiri

Arts & Sciences Electronic Theses and Dissertations

Eukaryotic cells contain hundreds of subcellular structures that serve different functions to maintain cellular homeostasis. A hallmark of Eukaryotic cells is its compartmentalization into membrane-bound organelles. One of the grand challenges in quantitative cell biology is understanding the precision with which cells assemble and maintain subcellular organelles. Despite identification of numerous molecular factors that regulate organelle sizes we lack insight into the quantitative principles underlying organelle size control. We examine organelle sizes from Saccharomyces cerevisiae and human iPS cells with mathematical theory to show that cells can robustly control average fluctuations in organelle size. By demonstrating that organelle sizes obey …

Kernel Estimation Of Spot Volatility And Its Application In Volatility Functional Estimation, Bei Wu

Arts & Sciences Electronic Theses and Dissertations

It\^o semimartingale models for the dynamics of asset returns have been widely studied in financial econometrics. A key component of the model, spot volatility, plays a crucial role in option pricing, portfolio management, and financial risk assessment. In this dissertation, we consider three problems related to the estimation of spot volatility using high-frequency asset returns. We first revisit the problem of estimating the spot volatility of an It\^o semimartingale using a kernel estimator. We prove a Central Limit Theorem with an optimal convergence rate for a general two-sided kernel under quite mild assumptions, which includes leverage effects and jumps of …

Contribution To Data Science: Time Series, Uncertainty Quantification And Applications, Dhrubajyoti Ghosh

Arts & Sciences Electronic Theses and Dissertations

Time series analysis is an essential tool in modern world statistical analysis, with a myriad of real data problems having temporal components that need to be studied to gain a better understanding of the temporal dependence structure in the data. For example, in the stock market, it is of significant importance to identify the ups and downs of the stock prices, for which time series analysis is crucial. Most of the existing literature on time series deals with linear time series, or with Gaussianity assumption. However, there are multiple instances where the time series shows nonlinear trends, or when the …

Local Spectroscopy Data Infrastructure: Solid State Nmr Crystallography With Experiment, First-Principal Analysis And Machine Learning, He Sun

Arts & Sciences Electronic Theses and Dissertations

Solid-state magnetic resonance (SSNMR) spectroscopy is a powerful tool for obtaining precise information about the local bonding and morphology of materials. The detailed local structure of crystalline materials cannot be easily solved by traditional experimental methods such as X-ray diffraction (XRD). SSNMR combined with first principal calculation methods such as density functional theory (DFT) can be of great use in this research area. The methodology that is called “NMR crystallography” today has been widely applied to the determination of a wide range of solid materials with an increasing amount of computationally simulated NMR spectra. The construction of a well-established computational …

Effects Of Surface Ligation On Charge Extraction From Wurtzite Cadmium Selenide Quantum Platelets And Quantum Belts, Hailey Meyer

Arts & Sciences Electronic Theses and Dissertations

This dissertation presents the synthesis of flat, colloidal wurtzite CdSe quantum platelets and quantum belts for ligand exchange to novel and existing organic and inorganic L-, X-, and Z- type ligands. Use of these ligands in conjunction with the semiconductor nanocrystals allows for examination of their ligand exchange abilities, photoluminescence quenching efficiencies, and charge transfer properties.

First, zinc and cadmium dithiocarbamate compounds [M(S2CNR1R2)2] are used as ligands on wurtzite CdSe quantum belts. Complete ligand exchange is achieved when the belts are initially ligated with Cd(oleate)2, a Z-type ligand, prior to the exchange, as opposed to n-octylamine or ammonia, which are …

The Effect Of Ionization Density In Applications Of Radiation Detection, Dosimetry, And Therapy, Daniel Mulrow

Arts & Sciences Electronic Theses and Dissertations

This dissertation covers a wide range of topics but is linked by the common theme of radiation interacting with materials and studying the result of those interactions. The introduction describes the fundamentals of how radiation interacts with material and how we are able to detect that radiation and the application of how we use those interactions in radiation oncology. The thesis starts with a chapter detailing the temperature dependence of the photophysics in two organic scintillators. This chapter is the foundation for a future study that will look the degree to which these scintillators can distinguish between gammas and neutrons …

Investigating Applications Of Deep Learning For Diagnosis Of Post Traumatic Elbow Disease, Hugh James

McKelvey School of Engineering Theses & Dissertations

Traumatic events such as dislocation, breaks, and arthritis of musculoskeletal joints can cause the development of post-traumatic joint contracture (PTJC). Clinically, noninvasive techniques such as Magnetic Resonance Imaging (MRI) scans are used to analyze the disease. Such procedures require a patient to sit sedentary for long periods of time and can be expensive as well. Additionally, years of practice and experience are required for clinicians to accurately recognize the diseased anterior capsule region and make an accurate diagnosis. Manual tracing of the anterior capsule is done to help with diagnosis but is subjective and timely. As a result, there is …

Speeding Up The Quantification Of Contrast Sensitivity Functions Using Multidimensional Bayesian Active Learning, Shohaib Shaffiey

McKelvey School of Engineering Theses & Dissertations

No abstract provided.

Geometric Algorithms For Modeling Plant Roots From Images, Dan Zeng

McKelvey School of Engineering Theses & Dissertations

Roots, considered as the ”hidden half of the plant”, are essential to a plant’s health and pro- ductivity. Understanding root architecture has the potential to enhance efforts towards im- proving crop yield. In this dissertation we develop geometric approaches to non-destructively characterize the full architecture of the root system from 3D imaging while making com- putational advances in topological optimization. First, we develop a global optimization algorithm to remove topological noise, with applications in both root imaging and com- puter graphics. Second, we use our topology simplification algorithm, other methods from computer graphics, and customized algorithms to develop a high-throughput …

Plasmonic Nanomaterials-Based Point-Of-Care Biosensors, Rohit Gupta

McKelvey School of Engineering Theses & Dissertations

Point-of-care (POC) biosensors, although rapid and easy-to-use, are orders magnitude less sensitive than laboratory-based tests. Further they are plagued by poor stability of recognition element thus limiting its widespread applicability in resource-limited settings. Therefore, there is a critical need for realizing stable POC biosensors with sensitivity comparable to gold-standard laboratory-based tests. This challenge constitutes the fundamental basis of this dissertation work– to expand access to quality and accurate biodiagnostic tools. At the heart of these solutions lies plasmonic nanoparticles which exhibit unique optical properties which are attractive for label-free and labelled biosensors.Firstly, we improve the stability and applicability of label-free …

Modeling, Analysis, And Simulation To Reveal The Mechanisms Of Ciliary Beating, Louis Woodhams

McKelvey School of Engineering Theses & Dissertations

Cilia are microscopic cellular appendages that help us breathe by clearing our airways, maintain the health of our central nervous system by circulating cerebrospinal fluid, and allow us to reproduce by transporting eggs and propelling sperm cells. Cilia even determine the asymmetry of our internal organs during embryonic development. However, the mechanisms underlying ciliary beating are not fully understood. Questions remain as to how arrays of the motor protein dynein generate the propulsive waveforms observed in cilia and how structural elements within the cilium and its connection to the cell deform during beating. In the current work, mathematical modeling, analysis, …

Development Of The Assessment Of Clinical Prediction Model Transportability (Apt) Checklist, Sean Chonghwan Yu

McKelvey School of Engineering Theses & Dissertations

Clinical Prediction Models (CPM) have long been used for Clinical Decision Support (CDS) initially based on simple clinical scoring systems, and increasingly based on complex machine learning models relying on large-scale Electronic Health Record (EHR) data. External implementation – or the application of CPMs on sites where it was not originally developed – is valuable as it reduces the need for redundant de novo CPM development, enables CPM usage by low resource organizations, facilitates external validation studies, and encourages collaborative development of CPMs. Further, adoption of externally developed CPMs has been facilitated by ongoing interoperability efforts in standards, policy, and …

Fate Of Metals In Presence Of Minerals And Mineral-Organic Assemblages, Neha Sharma

McKelvey School of Engineering Theses & Dissertations

Metals can enter aquatic systems from natural and anthropogenic processes associated with weathering, sediment re-suspension, industrial activities, and atmospheric deposition. Metals pose health and environmental risks at high concentrations due to their potential toxicity and bioaccumulation, but many trace metals also serve as essential micronutrients for biogeochemical processes in natural aquatic systems. Biogeochemical processes such as methanogenesis, denitrification, and mercury methylation require transition metals such as nickel (Ni), cobalt (Co), copper (Cu), and molybdenum (Mo) for completion. These biogeochemical processes can be substantial contributors of greenhouse gases, such as methane (CH4) and nitrous oxide (N2O), into the atmosphere. The behavior, …

Environmental Fate Of Rna Interference Biopesticides, Ke Zhang

McKelvey School of Engineering Theses & Dissertations

Emerging agricultural biotechnology uses RNA interference (RNAi) to protect crops from pests. RNAi is a cellular mechanism in which double-stranded RNA (dsRNA) directs the degradation of the homologous messenger RNA (mRNA), leading to gene silencing and preventing the synthesis of essential proteins. As applied to agriculture, dsRNA biopesticides have been developed that can trigger RNAi inside of the pest tissues to cause reduced pest growth and/or increased pest mortality. When dsRNA biopesticides are released to receiving environments (e.g., agricultural soils and surface water), they pose potential ecological risks to non-target organisms. This dissertation aims to advance the understanding of the …

Characterization Of Smoke Particles Toward Improved Remote Sensing Retrievals And Chemical Transport Modeling, Chenchong Zhang

McKelvey School of Engineering Theses & Dissertations

Wildfires increase in extent, intensity, and frequency across the globe over the recent decades. The uncontrolled fires trigger cascading effects on local ecosystems and the fire emissions pose a higher risk to air quality and climate. Wildfire emissions contain a variety of trace gases and particulate matters. The particle-phase emissions, especially those light-absorbing species including black carbon (BC) and brown carbon (BrC), significantly affect the regional and global climate by modulating the radiative transfer phenomena in the atmosphere. A great discrepancy still exists between model- and observation-based estimates of aerosol-radiation interactions (ARI). The discrepancy is partially attributed to the mischaracterizations …

Dynamics Of Spatiotemporal Heterogeneities In Particulate Intercalation Electrodes, Shubham Agrawal

McKelvey School of Engineering Theses & Dissertations

Electrochemical energy systems rely on particulate porous electrodes to store or convert energies. While the three-dimensional porous structures of the electrodes were introduced to maximize the interfacial area for better overall performance of the system, spatiotemporal heterogeneities arising from materials thermodynamics localize the charge transfer processes onto a limited portion of the available interfaces. These reaction heterogeneities may cause local hot and cold spots, and early battery failures. This dissertation focuses on the following three aspects of the dynamic reaction heterogeneities in the particulate cathodes and anodes in the lithium-ion batteries: (i) the real-time evolution of reaction heterogeneities in graphite …

Smart Sensing And Clinical Predictions With Wearables: From Physiological Signals To Mental Health, Ruixuan Dai

McKelvey School of Engineering Theses & Dissertations

Wearable devices such as smartwatches and wristbands are gaining adoption. Recent advances in technology in wearables enable remote health monitoring. However, there are challenges in exploiting wearables in healthcare applications. First, sensor readings from wearables are vulnerable to motion and noise artifacts. A robust pipeline is needed to extract reliable measurements from noisy signals. Second, while wearables support an increasing number of sensing modalities, there is a significant need to generate more clinically meaningful measurements with wearables. Finally, to incorporate wearables into clinical practice, we need to establish the link between wearable measurements and clinical outcomes, thus supporting clinical decisions. …

Dynamic Continuous Distributed Constraint Optimization Problems, Khoi Hoang

McKelvey School of Engineering Theses & Dissertations

The Distributed Constraint Optimization Problem (DCOP) formulation is a powerful tool to model multi-agent coordination problems that are distributed by nature. The formulation is suitable for problems where the environment does not change over time and where agents seek their value assignment from a discrete domain. However, in many real-world applications, agents often interact in a more dynamic environment and their variables usually require a more complex domain. Thus, the DCOP formulation lacks the capabilities to model the problems in such dynamic and complex environments. To address these limitations, researchers have proposed Dynamic DCOPs (D-DCOPs) to model how DCOPs dynamically …

Tfa Inference: Using Mathematical Modeling Of Gene Expression Data To Infer The Activity Of Transcription Factors, Cynthia Ma

McKelvey School of Engineering Theses & Dissertations

Transcription factors (TFs) are a set of proteins that play a key role in the information processing system that enables a cell to respond to changes in internal and external state. By binding near a gene in a cell’s DNA, a TF can influence that gene’s expression level, triggering the appropriate increase or decrease in production levels of proteins that are needed to handle stressors like a change in nutrient availability or damage to the cell’s internal structures. Transcription factor activity (TFA) is a measure of how much effect a TF has on its target genes in a given sample …

Evaluation And Clinical Implementation Of A Dual-Energy Ct Stopping-Power Ratio Mapping Technique For Proton-Therapy Treatment Planning, Maria Jose Medrano Matamoros

McKelvey School of Engineering Theses & Dissertations

Proton radiotherapy has the potential to treat tumors with better conformal dose distribution than competing modalities when the rapid dose falloff at the end of the proton-beam range is correctly aligned to the edge of the clinical target volume (CTV). However, its clinical potential is dependent on the accurate localization of the Bragg-peak position from predicted stopping-power ratio maps. The method that is most commonly used in today’s clinical practice for predicting stopping-power ratio (SPR) consists of a stoichiometric calibrationtechnique based on single-energy CT (SECT) for direct estimation of patient-specific SPR distribution from vendor-reconstructed Hounsfield Unit (HU) images. Unfortunately, this …

Human-Centered Machine Learning: Algorithm Design And Human Behavior, Wei Tang

McKelvey School of Engineering Theses & Dissertations

Machine learning is increasingly engaged in a large number of important daily decisions and has great potential to reshape various sectors of our modern society. To fully realize this potential, it is important to understand the role that humans play in the design of machine learning algorithms and investigate the impacts of the algorithm on humans.

Towards the understanding of such interactions between humans and algorithms, this dissertation takes a human-centric perspective and focuses on investigating the interplay between human behavior and algorithm design. Accounting for the roles of humans in algorithm design creates unique challenges. For example, humans might …