Physical Sciences and Mathematics Commons^™

Measurement Of Non-Covalent Aromatic Interactions Using Molecular Balances, Jung Wun Hwang

Theses and Dissertations

Non-covalent aromatic interactions govern many of the unique structures and properties of biological and synthetic molecules. Despite the importance of these interactions, their weak nature makes it challenging to study the interactions. To accurately measure weak non-covalent aromatic interactions in solution, we have designed molecular torsion balances that provide a quantitative measure of non-covalent intramolecular interaction strengths. First, we investigated the importance of electrostatic interactions in aromatic interactions. Substituent effects were strongly correlated with electrostatic Hammett parameters. In addition, the substituent effects were additive and showed significant direct substituent-arene interactions that support the recent direct substituent effect model. Next, the …

Regression Models For Count Data Based On The Double Poisson Distribution, Rebecca Wardrop

Theses and Dissertations

This paper explores the double Poisson distribution. The probability mass function and the difficulties associated with derivative-based optimization for this distribution are discussed. Stata software developed for estimation of double Poisson regression is detailed. Simulations are used to test the software. Data which are over-, under-, and equidispersed relative to the Poisson are generated and the software is utilized to estimate a regression model, a zero-inflated model, and a marginalized zero-inflated model all based on the double Poisson distribution. The estimated power of the test for φ = 1 for the double Poisson models are compared to the power of …

Materials Discovery By Crystal Growth: Synthesis, Structure Determination, Magnetic, And Optical Properties Of Complex Lanthanide Containing Oxides, Oxyhydroxides, And Oxyfluorides, Allison Marie Latshaw

Theses and Dissertations

Exploratory crystal growth is a versatile technique and one that can advance materials discovery. Through exploratory crystal growth, it is possible to synthesize many new materials that can have applications in many fields, including solid-state lighting. There exist many adaptations for exploratory crystal growth, including the use of alkali halide flux growth and hydroflux growth, both reported herein. By changing variants in these techniques like reactant ratios, temperature, reaction profile, and, most importantly here, the flux compositions, it is possible to change the products formed or fine tune reactions for product purity.

For solid-state lighting applications, compounds that adopt colorless …

Parametric Reversed Hazards Model For Left Censored Data With Application To Hiv, Farahnaz Islam

Theses and Dissertations

Left censoring is generally a rare type of censoring in time-to-event data, however there are some fields such as HIV related studies where it commonly occurs. Currently, there is no clear recommendation in the literature on the optimal model and distribution to analyze left-censored data. Recommendations can help researchers apply more accurate models for this type of censoring. This study derives the Parametric Reversed Hazards (PRH) Model for a variety of distributions which may be appropriate for left censored data. The performance of these derived PRH models to analyze HIV viral load data are compared using extensive simulations and a …

Characterization Of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase (Dxr) From Vibrio Vulnificus, Nikita K. Ussin

Theses and Dissertations

Vibrio vulnificus, a gram-negative bacterium, is the leading cause of seafood-borne illnesses and mortality in the United States. Previous studies of bacterial pathogens have identified a metabolite essential to V. vulnificus growth and function. 1-deoxy-D-xylulose 5-phosphate reductoisomerase (Dxr) is an essential enzyme in the viability of many bacteria and catalyzes the rearrangement of 1-deoxy-D-xylulose 5-phosphate (Dxp) to 2-C-methylerythritol 4-phosphate (MEP) within the MEP pathway found in plants and bacteria. Previous studies have been conducted to characterize Dxr homologs from other pathogens including E. coli, M. tuberculosis, and P. falciparum. Information on the structural and enzymatic characteristics of Dxr from Vibrio …

Measurements Of Electrostatic Double Layer Potentials With Atomic Force Microscopy, Jason Giamberardino

Theses and Dissertations

The aim of this thesis is to provide a thorough description of the development of theory and experiment pertaining to the electrostatic double layer (EDL) in aqueous electrolytic systems. The EDL is an important physical element of many systems and its behavior has been of interest to scientists for many decades. Because many areas of science and engineering move to test, build, and understand systems at smaller and smaller scales, this work focuses on nanoscopic experimental investigations of the EDL. In that vein, atomic force microscopy (AFM) will be introduced and discussed as a tool for making high spatial resolution …

Positioning Commuters And Shoppers Through Sensing And Correlation, Rufeng Meng

Theses and Dissertations

Positioning is a basic and important need in many scenarios of human daily activities. With position information, multifarious services could be vitalized to benefit all kinds of users, from individuals to organizations. Through positioning, people are able to obtain not only geo-location but also time related information. By aggregating position information from individuals, organizations could derive statistical knowledge about group behaviors, such as traffic, business, event, etc.

Although enormous effort has been invested in positioning related academic and industrial work, there are still many holes to be filled. This dissertation proposes solutions to address the need of positioning in people’s …

The Development Of A Miniature Spatial Heterodyne Raman Spectrometer For Applications In Planetary Exploration And Other Extreme Environments, Patrick Doyle Barnett

Theses and Dissertations

Space exploration is arguably one of the most important endeavors our species has ever undertaken. Rapid advances in rocketry and robotics in recent years has allowed for positioning of complex scientific instruments on other planets with a precision that was previously thought impossible. This, along with the need for more sophisticated chemical measurements to achieve the goals of new, more ambitious missions and recent advances in in-situ and remote spectroscopic techniques, has led to a boom in the use of spectroscopic instruments for space exploration. However, future missions to the moons of Jupiter and Saturn, along with other planetary bodies …

Submarine Groundwater Discharge And The Configuration Of The Freshwater-Saltwater Interface At The Nearshore And Embayment Scales, Tyler Brandon Evans

Theses and Dissertations

Submarine groundwater discharge (SGD) rivals riverine discharge to the world’s oceans but remains poorly understood. Until the early 1990’s, geochemical budgets for the ocean were developed using material fluxes from rivers only. SGD has been shown to carry high concentrations of dissolved nutrients, metals and carbon. However, SGD is a difficult to measure, complex phenomenon driven by multiple physical processes. Groundwater flow and the resultant chemical exchange at the land-sea interface are heavily impacted by the hydrodynamic effects of mixing between variable-density fluids. In order to better understand SGD, investigations have focused on the configuration of the freshwater-saltwater interface in …

Delineation Of The Lower Permian Gas Sand Via Calibrated Avo And Pre-Stack Seismic Inversions In Majhol Field, Saudi Arabia, Abdullah Alhashel

Theses and Dissertations

The lower Permian formation in the central region of Saudi Arabia is a key hydrocarbon siliciclastic reservoir. However, in Majhol field, the reservoir properties vary laterally due to diagenesis and facies changes. Conventional seismic interpretation has failed to map the heterogeneities of the reservoir properties that control the gas production of this field. Therefore, there was an opportunity to employ more advanced quantitative seismic techniques to delineate the productive gas sand facies in the field.

The Majhol field was initially planned to be developed as an unconventional tight reservoir. Well-1 was drilled based on conventional seismic interpretation on the crest …

Hadronic Lorentz Violation In Chiral Perturbation Theory, Rasha Kamand

Theses and Dissertations

The leading-order Lorentz-violating hadronic Lagrange densities are constructed using chiral perturbation theory. This is done for both pions and nucleons starting from a two-flavor quark-level Lagrangian that consists of dimension-four Lorentzviolation operators. The effective Lagrangians are first constructed in the absence of external fields. The formalism is then extended to include interactions with external fields. The presence of Lorentz violation modifies the transformation behavior of external fields under the chiral group SU(2)L × SU(2)R. This in turn leads to modified pion and nucleon covariant derivatives. By expanding parts of both mesonic and baryonic Lagragians in terms of physical pion and …

Investigating The Effects Of Glutathione And Other Key Proteins On Iron Homeostasis And Subcellular Redox Balance In Yeast Model Systems, Kirsten Renee Collins

Theses and Dissertations

Iron homeostasis in Saccharomyces cerevisiae is controlled through several pathways and is important because too much iron can cause cellular damage. Iron homeostasis in yeast is primarily controlled by transcription factors Aft1 and Aft2 which bind to the iron regulon to induce iron uptake when iron levels are low. When iron levels are sufficient, Aft1 and Aft2 are bound and inhibited by monothiol glutaredoxins (Grxs) Grx3 and Grx4. These Grxs are also involved in iron trafficking in the cell and bind to and deliver iron-sulfur clusters to multiple proteins.

The first part of this thesis focuses on determining if excess …

Renewable Bio-Based Intermediates, Monomers And Polymeric Materials From Plant Oils, Liang Yuan

Theses and Dissertations

In the dissertation work, new chemical intermediates, monomers and thermoplastic polymers were derived from renewable soybean oil. Elastomers were further developed using monomers and polymers from soybean oil. The properties of these polymeric materials were characterized and discussed.

In Chapter 1, the overall background and recent development polymers from renewable biomass, especially plant oils, is introduced. Major research objectives of my doctoral research were described.

The first section of the dissertation, on the preparation of renewable intermediates, novel monomers and homopolymers, is provided in Chapter 2 and Chapter 3. In Chapter 2, amidation of soybean oil with amino alcohols was …

Understanding The Activity Of Model Catalyst Surfaces: Ultrahigh Vacuum And Atmospheric Pressure Studies, Kangmin Xie

Theses and Dissertations

Heterogeneous Catalysis plays an extremely important role in the world. Metal particles supported on oxide supports are the most widely employed heterogeneous catalysts. In order to provide insight into the development of new catalytic materials, a fundamental understanding of surface reactions is required. Vapor-deposited metal clusters on single-crystal surfaces are well-defined systems that can be used to understand the structure-relationships in commercial catalysts. The pressure gap between fundamental surface analysis under ultra-high vacuum (UHV, P~10-10 Torr) conditions and kinetic evaluation of catalysts under realistic pressures has been bridged by constructing a micro-reactor interfaced with UHV chamber: pre- and post-reaction surfaces …

Surface Chemistry And Transport Properties Of Ii-Vi Semiconductor Nanowires, Pravin Paudel

Theses and Dissertations

Semiconductor nanowires have been widely studied due to their unique properties such as width comparable to critical length-scales, high aspect ratio, and high carrier mobility. These unique properties make them a suitable candidate for various optical and electronic devices like photovoltaics, photodetectors, and field effect transistors. The nanowire surface plays an important role in the performance of these devices because of their high surface to volume ratio. The larger surface area of nanowires may provide better charge separation than planar heterostructures in photovoltaics by providing shorter distance to move for carrier before separation, however, presence of surface states may lead …

Binary Quartic Forms Over Fp, Daniel Thomas Kamenetsky

Theses and Dissertations

Let Vp denote the five dimensional vector space of binary quartic forms over the finite field Fp, with p a prime greater than 3. There is a natural action of the group GL1(Fp)×GL2(Fp) on Vp. This action partitions Vp into orbits, the number of which increases with p. In this thesis, we determine explicitly, for a given p, the number of orbits under the action of GL1(Fp) × GL2(Fp) on Vp. Moreover, we determine the size of each orbit and the general structure of the forms each orbit contains. We also introduce an application of understanding these orbits to the …

Measurement Of New Observables From The Π + Π - Electroproduction Off The Proton, Arjun Trivedi

Theses and Dissertations

Knowledge of the Universe as constructed by human beings, in order to tackle its complexity, can be thought to be organized at varying scales at which it is observed. Implicit in such an approach is the idea of a smooth evolution of knowledge between scales and, therefore, access to how Nature constructs the visible Universe beginning from its most fundamental constituents. New and, in a sense, fundamental phenomena may typically be emergent as the scale of observation changes. The study of the Strong Interaction, which is responsible for the construction of the bulk of the visible matter in the Universe …

Forensic Characterization Of Dyes From Synthetic Textile Fibers Exposed To Outdoor And Laundering Effects By Ultra Performance Liquid Chromatography And Spectral Analysis, Molly Rebecca Burnip

Theses and Dissertations

Textile fibers found in an investigation are trace evidence that can connect a suspect to a victim or crime scene. Examination involves comparison of the color and morphology of a questioned fiber to a known fiber with optical spectroscopy. Fibers are considered class evidence, so evaluating more characteristics increases their significance as evidence if a match cannot be excluded. Acrylic, nylon, and polyester are textile polymers that require different extraction solvents based on the polymer chemistry. Methods have been developed for UPLC analysis of basic dyes on acrylic, acid on nylon, and disperse dyes on polyester. After microextraction from single …

Semiparametric Regression Analysis Of Panel Count Data And Interval-Censored Failure Time Data, Bin Yao

Theses and Dissertations

This dissertation discusses three important research topics on semiparametric regression analysis of panel count data and interval-censored data. Both types of data arise commonly in real-life studies in many fields such as epidemiology, social science, and medical research. In these studies, subjects are usually examined multiple times at periodical or irregular follow-up examinations. For panel count data, the response variable is the counts of some recurrent events, whose exact occurrence times are usually unknown. For interval-censored data, the response variable is the time to some events of interest, often called survival time or failure time, and the exact response time …

Frailty Probit Models For Clustered Interval-Censored Failure Time Data, Haifeng Wu

Theses and Dissertations

Survival analysis is an important branch of statistics that deals with time to event data or survival data. An important feature of such data is that the survival time of interest is usually not completely known but is censored due to the design of the study or an early dropout. In this dissertation we focus on studying clustered interval-censored data, a special type of survival data. Interval-censored data arise in many epidemiological, social science, and medical studies, in which subjects are examined at periodical follow-up visits. The survival (or failure) time of interest is never exactly observed but is known …

Neuro-Fuzzy Classification Of Felsic Lava Geomorphology At Alarcon Rise, Mexico, Christina Hefron Maschmeyer

Theses and Dissertations

The Alarcon Rise is the only submarine oceanic spreading ridge setting where rhyolitic lavas have been found. This intermediate-rate spreading ridge provides a unique natural laboratory for studying the geomorphology of felsic submarine lava flows at oceanic spreading ridges. Seafloor observations of felsic lava indicate the flow morphology differs from typical submarine basaltic lava at the few other oceanic spreading ridges where differentiated compositions have been recorded. Morphologic variation between mafic and felsic lava flows, especially rhyolites, was also observed at Alarcon Rise.

The Monterey Bay Aquarium Research Institute conducted mapping surveys with autonomous underwater vehicle D Allan B. in …

Computational Doping For Fuel Cell Material Design Based On Genetic Algorithms And Genetic Programming, Emrah Atilgan

Theses and Dissertations

Developing new materials have historically been time-consuming. Computational material discovery can search large design space to identify promising candidates for experimental verification. Recently, Density Functional Theory (DFT) based first principle calculation has been able to calculate many electrical and physical properties of materials, making them suitable for computational doping based material discovery. In material doping, given a base material, one can change its properties by substituting some elements with new ones or adding additional elements. In computational doping, we have a grid of atoms in a supercell, some of which can be substituted with dopant atoms. There are many possible …

Learning Human Poses From Monocular Images, Xiaochuan Fan

Theses and Dissertations

In this research, we mainly focus on the problem of estimating the 2D human pose from a monocular image and reconstructing the 3D human pose based on the 2D human pose. Here a 3D pose is the locations of the human joints in the 3D space and a 2D pose is the projection of a 3D pose on an image. Unlike many previous works that explicitly use hand-crafted physiological models, both our 2D pose estimation and 3D pose reconstruction approaches implicitly learn the structure of human body from human pose data.

This 3D pose reconstruction is an ill-posed problem without …

Uptake Of Nanoparticles By Vibrio Gazogenes, Shonda Renee Jones

Theses and Dissertations

Vibrio gazogenes, a Gram-negative species of marine bacteria, was capable of transporting 20 nm (diameter) surface-carboxylated, polystyrene, fluorescent FluoSpheres® microspheres (excitation/emission = 505/515) through the outer membrane, which was indicated by a detectable decrease in the fluorescence intensity of the nanoparticles in the culture medium. A mechanism of transport was investigated involving the ATP-binding cassette (ABC) protein transporters that traverse the outer membrane. Inhibition of the ABC transporters did not prevent the entry of the nanoparticles into the cell, suggesting there was an alternate mechanism of transport. The addition of nanoparticles to the culture medium also did not provide any …

Development Of Protein-Polymer Core-Shell Nanoparticles (Ppcs-Nps) As Efficient Vehicles To Deliver Therapeutic Agents Across Blood Brain Barrier (Bbb), Napat Tandikul

Theses and Dissertations

Blood Brain Barrier (BBB) plays a main role as selective barrier which controls and limits access of chemicals, molecules and therapeutic agents from blood to brain. The BBB endothelial cells are connected by Tight Junctions (TJs) which close intracellular spaces between the endothelial cells and block the free diffusion of substances, therefore many potential drugs for treating human brain diseases cannot reach the brain in sufficient concentration. Recently, many studies have thrown an interest in development of nanoparticles for delivering drugs and imaging agents across BBB. Our research group has developed protein-polymer core-shell nanoparticles (PPCS-NPs) which demonstrate great potential for …

The Reflected-Shifted-Truncated-Gamma Distribution For Negatively Skewed Survival Data With Application To Pediatric Nephrotic Syndrome, Sophia D. Waymyers

Theses and Dissertations

Negatively skewed survival data arise occasionally in public health fields and in statistical research. Standard distributions such as the exponential, generalized F, generalized gamma, Gompertz, log-logistic, lognormal, Rayleigh, and Weibull distributions are not always well suited to this data. The primary goal of this dissertation is to find a viable alternative for modeling negatively skewed survival data such as the time to first remission for pediatric patients with frequently relapsing or steroid dependent nephrotic syndrome.

We begin with a brief introduction of survival analysis and the nature of pediatric nephrotic syndrome. A meta-analysis on atopy and pediatric nephrotic syndrome using …

Properties And Applications Of Self-Assembled Benzophenone Bis-Urea Macrocycles, Arthur Ariston Korous

Theses and Dissertations

Supramolecular chemistry is a vast multidisciplinary field with great potential and application. It is driven by one simple concept, the self-assembly of small building blocks into larger complex architectures without application of external force. This thesis highlights previous applications of supramolecular chemistry in addition to new potential properties and applications. Recently, the Shimizu group reported a self-assembled benzophenone bis-urea macrocycle (host 1) that facilitated the selective oxidation of an encapsulated alkene when UV-irradiated in an oxygen atmosphere to afford products that are typically observed in radical mediated reactions.1 Surprisingly, the host displayed a stable room temperature radical upon UV irradiation. …

From Model Systems To Real Catalysts: Bridging The Pressure And Materials Gaps, Audrey S. Duke

Theses and Dissertations

For decades a fundamental understanding of heterogeneous catalysts has been pursued for rational catalyst design using model systems under ultrahigh vacuum (UHV) conditions; however, there exist stark differences between the simplified models investigated under UHV and the industrial catalysts used at high pressures. To bridge these gaps, it becomes essential to utilize progressively more complex materials and to correlate their surface structure and activity using incrementally higher pressure techniques. In this work, both model Pt-Re catalysts and powdered metal-organic frameworks (MOFs) were studied using a suite of traditional UHV surface science techniques in addition to ambient pressure X-ray photoelectron spectroscopy …

Classification Of Natural Phytoplankton Populations With Fluorescence Excitation-Based Imaging Multivariate Optical Computing, Shawna Kathleen Tazik

Theses and Dissertations

Phytoplankton account for the majority of the primary productivity in the ocean and contribute significantly to the global carbon cycle through photosynthesis. A quantitative characterization of phytoplankton cell size and taxonomic composition is essential for understanding marine biogeochemical cycles, quantifying carbon export, and for predicting the ocean’s response to future climate change. Our labs have developed a new instrument for this purpose that combines fluorescence excitation spectroscopy with an all-optical approach to multivariate statistics called multivariate optical computing (MOC). The instrument, known as the Shipboard Streak Imaging Multivariate Optical Computing (SSIMOC) photometer, is a simple filter photometer that images the …

Virus Particles Provide Nanotopographical Cues For Osteogenic Differentiation Of Mesenchymal Stem Cells, Kamolrat Metavarayuth

Theses and Dissertations

One key aspect of tissue engineering is to develop biomimetic scaffolding materials that can modulate the proliferation, self-renewal and differentiation of multipotent stem cells into different lineages. Bone marrow derived mesenchymal stem cells (BMSCs) can differentiate into several target cells such as osteoblasts, chondrocytes, adipocytes, and smooth muscle cells. BMSCs are commonly used for in vitro osteogenesis studies in bone tissue engineering field. However the mechanisms and signaling pathways that these cells use to recognize and response to biomaterial surface are still unclear. This dissertation focuses on investigating the effect of chemical and physical cues introduced by virus nanoparticles on …