Physical Sciences and Mathematics Commons^™

Development Of Novel Protein Digestion And Quantitation Methods For Mass Spectrometic Analysis, Yongling Ai

Dissertations

Proteins are the workhorses of biology, playing multifaceted roles in maintaining cellular function, signaling, and response to environmental cues. Understanding their abundance and dynamics is pivotal for unraveling the complexities of biological processes, which underpins the foundations of molecular and cellular biology. Accurate measurement of protein quantities provides insights into cellular homeostasis, facilitates the discovery of biomarkers, and sheds light on the molecular mechanisms of diseases, bridging the gap between the molecular intricacies of proteins and their functional consequences in health and disease. The evolution of protein quantitation methodologies, from classical colorimetric assays to sophisticated mass spectrometry-based approaches, has expanded …

Model-Based Deep Autoencoders For Clustering Single-Cell Rna Sequencing Data With Side Information, Xiang Lin

Dissertations

Clustering analysis has been conducted extensively in single-cell RNA sequencing (scRNA-seq) studies. scRNA-seq can profile tens of thousands of genes' activities within a single cell. Thousands or tens of thousands of cells can be captured simultaneously in a typical scRNA-seq experiment. Biologists would like to cluster these cells for exploring and elucidating cell types or subtypes. Numerous methods have been designed for clustering scRNA-seq data. Yet, single-cell technologies develop so fast in the past few years that those existing methods do not catch up with these rapid changes and fail to fully fulfil their potential. For instance, besides profiling transcription …

Biophysical Factors Affecting Habitat Suitability For Crassostrea Virginica, Jason D. Tilley

Dissertations

Oyster reefs provide a variety of important ecosystem services. However, the mortality rate of eastern oyster, Crassostrea virginica, the dominant species that produces oyster reefs in the northern Gulf of Mexico, is increasing at an alarming rate due to a variety of abiotic and biological factors. I examined how biophysical factors, including the less-studied fatty acid profiles of the suspended particulate matter on which oysters feed, influenced morphometric condition of C. virginica.

I sampled suspended particulate matter (SPM) and oysters in-situ in the western Mississippi Sound, which historically supported the majority of oyster production in Mississippi waters. Sampling …

Making Data Meaningful: Stakeholder Perceptions On Data Visualization And Data Management Practices Within A Multi-Tiered System Of Supports (Mtss), Domenick Saia

Dissertations

Data-driven decision-making and collaboration are core pillars of a multi-tiered system of supports (MTSS); however, timely and accessible data use, as well as data literacy and visualization literacy skills, are challenges school leaders and educators face related to implementing such frameworks. I hypothesized efficient data management systems and data visualization tools enable school teams to predict student learning outcomes, readily communicate, and better understand student data. The purpose of this study design was to highlight a need for more efficient data structures that allow school stakeholders to balance their roles within an MTSS framework more effectively. The context of this …

New Methods For Stereoselective Glycosylation In Application To Significant Biomedical Targets, Melanie L. Shadrick

Dissertations

Glycosyl halides have been utilized for glycosylation reactions since the early studies by Arthur Michael, nearing the end of the 19^th century. Koenigs and Knorr then utilized silver salts to activate glycosyl bromides and chlorides to create synthetic glycosides. Many efforts to improve the outcome of reactions with glycosyl halides have emerged. The key emphasis has traditionally been placed on reaction rates, product yields, and stereocontrol. Recently, our lab reported that silver(I) oxide-mediated Koenigs-Knorr glycosylation reaction can be dramatically accelerated in the presence of catalytic acid additives. Methods to improve glycosylation was explored using mannosyl and glucosyl bromides. However, …

Binding Interactions Of Biologically Relevant Molecules Studied Using Surface-Modified And Nanostructured Surfaces, Palak Sondhi

Dissertations

This research focuses on the field of surface nanobioscience, wherein different nanosurfaces that will be used as working electrodes in the electrochemical cell are manufactured and surface modified to understand the critical binding interactions between biologically significant molecules like proteins, carbohydrates, small drug molecules, and glycoproteins. This research is essential if we are to determine whether a synthetic molecule can serve as a therapeutic candidate or diagnose a disease in its early stages. In order to fully understand the binding interactions, the study begins with defining some of the fundamental concepts, principles, and analytical tools for biosensing.

Afterwards, we addressed …

A Novel Multi-Model Patient Similarity Network Driven By Federated Data Quality And Resource Profiling, Alramzana Nujum Navaz

Dissertations

Smart and Connected Health (SCH) is revolutionizing healthcare by leveraging extensive healthcare data for precise, personalized medicine. At its core, SCH relies on the concept of patient similarity, which involves the comparative analysis of newly encountered patients with those who exhibit comparable similarities from the existing patient cohort. Yet, this approach faces significant challenges, including data heterogeneity and dimensionality. Our research introduces a multi-dimensional Patient Similarity Network (PSN) Fusion model tailored to handle both static and dynamic features. The static data analysis focuses on extracting contextual information using Bidirectional Encoder Representations from Transformers (BERT), while dynamic features are captured through …

First Principles Investigation Of Energy Harvesting Materials For Green Environment, Mehreen Javed

Dissertations

The cutting-edge research of materials enables the discovery of novel energy harvesting materials. In this project the structural, electronic, magnetic, thermodynamic, thermoelectric, and optical properties of different energy harvesting materials are studied. The main objective of this work is primarily to study thermoelectrically efficient half-heuslers and photovoltaically active perovskites. Variant schematics of innovative compounds with defect introduction are investigated. The compositionally altered compounds designed by introducing crystallographic defects in terms of substitutional or interstitial dopants, offer new trends of material properties. To accomplish the task, Density Functional theory based computational packages (VASP and Wein2K) are used. Using defect and strain …

Electrical, Optical, And Thermal Properties Of Snse Based Materials With High Thermoelectric Performances, Najwa Qasem Al Bouzieh

Dissertations

This thesis conducts a thorough exploration of the characteristics and prospective applications of Tin Selenide (SnSe), a pivotal semiconductor for advancing contemporary electronics and optoelectronics. The investigation mainly focuses on comprehending the alterations in SnSe's properties when doped with elements such as Hafnium, Zinc, Bismuth, Germanium, Sodium, Iodine, and Silicon. 2D-SnSe allotropes, when doped with Hafnium, have exhibited remarkable optical characteristics, especially in the δ-SnSe allotrope, rendering it adaptable for varied optical uses like solar cells and LEDs. Additionally, evaluations of elasticity show improved resilience and augmented in-plane stiffness owing to Hf doping, occasionally reducing ductility. The work uniquely emphasizes …

Molecular Mechanisms Of Amyloid-Like Fibril Formation, Sharareh Jalali

Dissertations

Proteins play a critical role in living systems by performing most of the functions inside cells. The latter is determined by the protein's three-dimensional structure when it is folded in its native state. However, under pathological conditions, proteins can misfold and aggregate, accounting for the formation of highly ordered insoluble assemblies known as amyloid fibrils. These assemblies are associated with diseases like Parkinson's and Alzheimer's. Strong evidence suggests that three mechanisms are critical for forming amyloid fibrils. These mechanisms are the nucleation of amyloid fibrils in solution (primary nucleation) as well as on the surface of existing fibrils (secondary nucleation) …

Exploring Topological Phonons In Different Length Scales: Microtubules And Acoustic Metamaterials, Ssu-Ying Chen

Dissertations

The topological concepts of electronic states have been extended to phononic systems, leading to the prediction of topological phonons in a variety of materials. These phonons play a crucial role in determining material properties such as thermal conductivity, thermoelectricity, superconductivity, and specific heat. The objective of this dissertation is to investigate the role of topological phonons at different length scales.

Firstly, the acoustic resonator properties of tubulin proteins, which form microtubules, will be explored The microtubule has been proposed as an analog of a topological phononic insulator due to its unique properties. One key characteristic of topological materials is the …

Models And Algorithms For Promoting Diverse And Fair Query Results, Md Mouinul Islam

Dissertations

Ensuring fairness and diversity in search results are two key concerns in compelling search and recommendation applications. This work explicitly studies these two aspects given multiple users' preferences as inputs, in an effort to create a single ranking or top-k result set that satisfies different fairness and diversity criteria. From group fairness standpoint, it adapts demographic parity like group fairness criteria and proposes new models that are suitable for ranking or producing top-k set of results. This dissertation also studies equitable exposure of individual search results in long tail data, a concept related to individual fairness. First, the dissertation focuses …

Quantifying Balance: Computational And Learning Frameworks For The Characterization Of Balance In Bipedal Systems, Kubra Akbas

Dissertations

In clinical practice and general healthcare settings, the lack of reliable and objective balance and stability assessment metrics hinders the tracking of patient performance progression during rehabilitation; the assessment of bipedal balance plays a crucial role in understanding stability and falls in humans and other bipeds, while providing clinicians important information regarding rehabilitation outcomes. Bipedal balance has often been examined through kinematic or kinetic quantities, such as the Zero Moment Point and Center of Pressure; however, analyzing balance specifically through the body's Center of Mass (COM) state offers a holistic and easily comprehensible view of balance and stability.

Building upon …

Learning Representations For Effective And Explainable Software Bug Detection And Fixing, Yi Li

Dissertations

Software has an integral role in modern life; hence software bugs, which undermine software quality and reliability, have substantial societal and economic implications. The advent of machine learning and deep learning in software engineering has led to major advances in bug detection and fixing approaches, yet they fall short of desired precision and recall. This shortfall arises from the absence of a 'bridge,' known as learning code representations, that can transform information from source code into a suitable representation for effective processing via machine and deep learning.

This dissertation builds such a bridge. Specifically, it presents solutions for effectively learning …

Fortifying Robustness: Unveiling The Intricacies Of Training And Inference Vulnerabilities In Centralized And Federated Neural Networks, Guanxiong Liu

Dissertations

Neural network (NN) classifiers have gained significant traction in diverse domains such as natural language processing, computer vision, and cybersecurity, owing to their remarkable ability to approximate complex latent distributions from data. Nevertheless, the conventional assumption of an attack-free operating environment has been challenged by the emergence of adversarial examples. These perturbed samples, which are typically imperceptible to human observers, can lead to misclassifications by the NN classifiers. Moreover, recent studies have uncovered the ability of poisoned training data to generate Trojan backdoored classifiers that exhibit misclassification behavior triggered by predefined patterns.

In recent years, significant research efforts have been …

Bacterial Motion And Spread In Porous Environments, Yasser Almoteri

Dissertations

Micro-swimmers are ubiquitous in nature from soil and water to mammalian bodies and even many technological processes. Common known examples are microbes such as bacteria, micro-algae and micro-plankton, cells such as spermatozoa and organisms such as nematodes. These swimmers live and have evolved in multiplex environments and complex flows in the presence of other swimmers and types, inert particles and fibers, interfaces and non-trivial confinements and more. Understanding the locomotion and interactions of these individual micro-swimmers in such impure viscous fluids is crucial to understanding the emergent dynamics of such complex systems, and to further enabling us to control and …

Diversification And Fairness In Top-K Ranking Algorithms, Mahsa Asadi

Dissertations

Given a user query, the typical user interfaces, such as search engines and recommender systems, only allow a small number of results to be returned to the user. Hence, figuring out what would be the top-k results is an important task in information retrieval, as it helps to ensure that the most relevant results are presented to the user. There exists an extensive body of research that studies how to score the records and return top-k to the user. Moreover, there exists an extensive set of criteria that researchers identify to present the user with top-k results, and result diversification …

Human-Ai Complex Task Planning, Sepideh Nikookar

Dissertations

The process of complex task planning is ubiquitous and arises in a variety of compelling applications. A few leading examples include designing a personalized course plan or trip plan, designing music playlists/work sessions in web applications, or even planning routes of naval assets to collaboratively discover an unknown destination. For all of these aforementioned applications, creating a plan requires satisfying a basic construct, i.e., composing a sequence of sub-tasks (or items) that optimizes several criteria and satisfies constraints. For instance, in course planning, sub-tasks or items are core and elective courses, and degree requirements capture their complex dependencies as constraints. …

Program Analysis For Android Security And Reliability, Sydur Rahaman

Dissertations

The recent, widespread growth and adoption of mobile devices have revolutionized the way users interact with technology. As mobile apps have become increasingly prevalent, concerns regarding their security and reliability have gained significant attention. The ever-expanding mobile app ecosystem presents unique challenges in ensuring the protection of user data and maintaining app robustness. This dissertation expands the field of program analysis with techniques and abstractions tailored explicitly to enhancing Android security and reliability. This research introduces approaches for addressing critical issues related to sensitive information leakage, device and user fingerprinting, mobile medical score calculators, as well as termination-induced data loss. …

Fluid Dynamics Of Interacting Particles: Bouncing Droplets And Colloid-Polymer Mixtures, Lauren Barnes

Dissertations

Interacting particles are a common theme across various physical systems, particularly on the atomic and sub-atomic scales. While these particles cannot be seen with the human eye, insight into such systems can be gained by observing macroscopic systems whose physical behavior is similar. This dissertation consists of three different chapters, each presenting a different problem related to interacting particles, as follows:

Chapter 1 explores chaotic trajectories of a droplet bouncing on the surface of a vertically vibrating fluid bath, with a simple harmonic force acting on the droplet. The bouncing droplet system has attracted recent interest because it exhibits behaviors …

Boundary Integral Equation Methods For Superhydrophobic Flow And Integrated Photonics, Kosuke Sugita

Dissertations

This dissertation presents fast integral equation methods (FIEMs) for solving two important problems encountered in practical engineering applications.

The first problem involves the mixed boundary value problem in two-dimensional Stokes flow, which appears commonly in computational fluid mechanics. This problem is particularly relevant to the design of microfluidic devices, especially those involving superhydrophobic (SH) flows over surfaces made of composite solid materials with alternating solid portions, grooves, or air pockets, leading to enhanced slip.

The second problem addresses waveguide devices in two dimensions, governed by the Helmholtz equation with Dirichlet conditions imposed on the boundary. This problem serves as a …

Toward Smart And Efficient Scientific Data Management, Jinzhen Wang

Dissertations

Scientific research generates vast amounts of data, and the scale of data has significantly increased with advancements in scientific applications. To manage this data effectively, lossy data compression techniques are necessary to reduce storage and transmission costs. Nevertheless, the use of lossy compression introduces uncertainties related to its performance. This dissertation aims to answer key questions surrounding lossy data compression, such as how the performance changes, how much reduction can be achieved, and how to optimize these techniques for modern scientific data management workflows.

One of the major challenges in adopting lossy compression techniques is the trade-off between data accuracy …

Data-Driven 2d Materials Discovery For Next-Generation Electronics, Zeyu Zhang

Dissertations

The development of material discovery and design has lasted centuries in human history. After the concept of modern chemistry and material science was established, the strategy of material discovery relies on the experiments. Such a strategy becomes expensive and time-consuming with the increasing number of materials nowadays. Therefore, a novel strategy that is faster and more comprehensive is urgently needed. In this dissertation, an experiment-guided material discovery strategy is developed and explained using metal-organic frameworks (MOFs) as instances. The advent of 7r-stacked layered MOFs, which offer electrical conductivity on top of permanent porosity and high surface area, opened up new …

Variable Resolution Smoothed Particle Hydrodynamics Schemes For 2-D And 3-D Viscous Flows, Francesco Ricci

Dissertations

Smoothed Particle Hydrodynamics (SPH) is a Lagrangian particle-based method for the numerical solution of the partial differential equations that govern the motion of fluids. The main aim of this thesis work is to better enable the applicability of SPH to problems involving multi-scale fluid dynamics. In the first part of the thesis, the capability of the SPH method to simulate three-dimensional isotropic turbulence is investigated with a detailed comparison of Lagrangian and Eulerian SPH formulations. The main reason for this first investigation is to provide an assessment of the error introduced by the particle disorder on the SPH discrete operators …

A Computational Kinetics Model To Quantify Radiation Induced Chemical Products Of Atmospheric Gas Mixtures, Patrick Ables

Dissertations

This research is focused on the development of a computational model which will calculate the effects of radiation on the chemical composition of the atmosphere. The approach utilizes the open-source chemical kinetics toolkit Cantera to model the creation of radiation-induced reactant species within irradiated air mixtures. Chemical solutions are iteratively stepped toward chemical equilibrium within a ‘constantly stirred’ (homogeneous) reactor of fixed volume. Three different radiation chemistry models are implemented in several different pulsed and continuous radiation schemes. The first model includes the mechanisms and rates of a pulse radiation model from the literature to test the validity of the …

Computational And Experimental Investigation Of Elemental Sulfur And Polysulfide, Jyoti Sharma

Dissertations

Petroleum processing results in the generation of significant quantities of elemental sulfur (S₈), leading to a surplus of sulfur worldwide. Despite its abundance and low cost, the use of sulfur in value-added organic compound synthesis is limited due to its unpredictable and misunderstood reactivity. This dissertation aims to address this issue by tackling it from two angles. Firstly, by utilizing Density Functional Theory (DFT) calculations, the reactivity of sulfur in the presence of nucleophiles is studied. This facilitates the identification of organic polysulfide intermediates that can be generated under different conditions, as well as the corresponding reactivity for …

Atrial Fibrillation Management In Hispanic Adults, Tania Borja

Dissertations

Background: Research has found atrial fibrillation (AF) to be the primary or a contributing cause of death on 183,321 death certificates, and an underlying cause of death for 26,535 Americans in 2019. Findings indicate an increased AF diagnosis in White people compared to racial and ethnic minorities, contrasting widespread findings of increased prevalence of cardiovascular disease and ischemic strokes in minorities. Significant disparities—by race and socioeconomic status in disease distribution and access to testing and lifesaving treatments—have been documented, specifically associated with social determinants of health (SDOH); i.e., the conditions in which people are born, grow, live, work, and age. …

Origin Of The Mega-Streamlined Morphology In Ne Africa And Arabia: Remote Sensing And Field-Based Investigations, Mohamed Samy Mohamed Elhebery

Dissertations

Mega-streamlined landforms on Earth and Mars have been attributed to aeolian, glaciogenic, fluvial, and tectonic processes. Identifying the forces that shaped these landforms is paramount for understanding landscape evolution and constraining paleo-climate models and ice sheet reconstructions. Exhumed Late Ordovician glacial deposits and landscape of the North Gondwana are reported here for the first time from SE Egypt. Using field and remote sensing (Advanced Land Observing Satellite [ALOS], Phased Array L-band Synthetic Aperture Radar (PALSAR) radar, multispectral Landsat TM datasets, and digital elevation models (DEMs) I mapped the distribution of the Late Ordovician glacial features (i.e. deposits and landforms) in …

On Phishing: Proposing A Host-Based Multi-Layer Passive/Active Anti-Phishing Approach Combating Counterfeit Websites, Wesam Harbi Fadheel

Dissertations

Phishing is the starting point of most cyberattacks, mainly categorized as Email, Websites, Social Networks, Phone calls (Vishing), and SMS messaging (Smishing). Phishing refers to an attempt to collect sensitive data, typically in the form of usernames, passwords, credit card numbers, bank account information, etc., or other crucial facts, intending to use or sell the information obtained. Similar to how a fisherman uses bait to catch a fish, an attacker will pose as a trustworthy source to attract and deceive the victim.

This study explores the efficacy of host-side APT (Anti-Phishing Techniques) based onWebsite features like Lexical, Host-Based, or Content-Based …

Simulating Strongly Coupled Many-Body Systems With Quantum Algorithms, Manqoba Qedindaba Hlatshwayo

Dissertations

The complexity of the nuclear many-body problem is a severe obstacle to finding a general and accurate numerical approach needed to simulate medium-mass and heavy nuclei. Even with the advent of exascale classical computing, the impediment of exponential growth of the Hilbert space renders the problem intractable for most classical calculations. In the last few years, quantum algorithms have become an attractive alternative for practitioners because quantum computers are more efficient in simulating quantum physics than classical computers. While a fully fault-tolerant universal quantum computer will not be realized soon, this dissertation explores quantum algorithms for simulating nuclear physics suitable …