Physical Sciences and Mathematics Commons^™

The Role Of Particle Surface Functionality And Microstructure Development In Isothermal And Non-Isothermal Crystallization Behavior Of Polyamide 6/Cellulose Nanocrystals Nanocomposites, Shahram Rahimi, Joshua U. Otaigbe

Faculty Publications

Polyamide 6 (PA6)/cellulose nanocrystal (CNC) and aminopropyl triethoxy silane (APS) - modified CNC nanocomposites were prepared by in situ anionic ring opening polymerization and subsequent melt extrusion. The morphological observation of these hybrid systems revealed that the non-modified nanocrystals developed a network-like fibrillar structure while the APS-modified CNCs were finely dispersed mostly as individual whiskers. The isothermal and non-isothermal crystallization kinetics was extensively studied with emphasis on the effects of CNC surface functionality and the subsequent microstructure development on crystallization behavior of these novel nanocomposite systems. The non-modified CNC particles with corresponding fibrillar microstructure were found significantly hinder the crystallization …

Error Analysis Of An Hdg Method For A Distributed Optimal, Huiqing Zhu, Fatih Celiker

Faculty Publications

In this paper, we present a priori error analysis of a hybridizable discontinuous Galerkin (HDG) method for a distributed optimal control problem governed by diffusion equations. The error estimates are established based on the projection-based approach recently used to analyze these methods for the diffusion equation. We proved that for approximations of degree k on conforming meshes, the orders of convergence of the approximation to fluxes and scalar variables are k+1 when the local stabilization parameter is suitably chosen.

Modern Fair-Weather And Storm Sediment Transport Around Ship Island, Mississippi: Implications For Coastal Habitats And Restoration Efforts, Eve Rettew Eisemann

Master's Theses

The Mississippi – Alabama barrier island chain is experiencing accelerated sea level rise, decreased sediment supply, and frequent hurricane impacts. These three factors drive unprecedented rates of morphology change and ecosystem reduction. All islands in the chain have experienced land loss on the order of hectares per year since records began in the 1840s. In 1969, Hurricane Camille impacted as a Category 5, breaching Ship Island, and significantly reduced viable seagrass habitat. Hurricane Katrina impacted as a Category 3 in 2005, further widening Camille Cut. To better understand the sustainability of these important islands and the ecosystems they support, sediment …

Bloom Or Bust: Retrospective Analysis Of The Giant Jellyfish, Nemopilema Nomurai (Scyphozoa: Rhizostomeae), Ecology In The East Asian Marginal Seas, Naomi Yoder

Master's Theses

The Giant Jellyfish, Nemopilema nomurai, is a large-bodied bloom-forming jellyfish that occurs in the semi-enclosed basins of the East Asian Marginal Seas. N. nomurai has bloomed more frequently in the past 20 years than in any period previously recorded. In Japan, recent N. nomurai blooms were responsible for millions of dollars in lost revenue and equipment damage to commercial fisheries alone. This study statistically analyzed 21 environmental factors in connection with N. nomurai occurrence (using occurrence as a proxy for blooms). Eight factors resulted in a statistically significant or marginally significant (p ≤ 0.10), linear or non-linear relationship with …

Structure-Property Relationships Of Polyisobutylene-Block-Polyamide Thermoplastic Elastomers, Morgan Dunn Heskett

Master's Theses

Thermoplastic elastomers (TPEs) are a class of polymer fit for a wide variety of applications due to their customizability. In the synthesis of these types of materials, an elastically-performing polymer, deemed the “soft block,” is combined with a stiffer “hard block” polymer, each of which can be selected based on their own specific properties in order to achieve desired material behavior in the final copolymer. Recently, the use of polyisobutylene as a soft block in combination with a polyamide hard block has been investigated for use in TPE synthesis. While the material showed some promising behavior, many properties were still …

Sedimentology Of A Small Estuarine Marsh Along East (Pensacola) Bay, Florida, Jesse Pfadenhauer

Honors Theses

Sediment samples from a marsh along East (Pensacola) Bay were analyzed using various laboratory techniques. The color, magnetic susceptibility, organic content, carbonate content, and sediment size distribution of each sample was measured to attain an overall profile of the sedimentary characteristics of the area. Using the GPS coordinates of each collection site, samples were categorized into sub-environments based on their position within the marsh. The trends within the study area and sub-environments were evaluated and interpreted. The data indicate that this marsh is a siliciclastic, fining-inland area that is frequently inundated with tidal fluctuations and storm surges. These storm surges …

Fast Method Of Particular Solutions For Solving Partial Differential Equations, Anup Raja Lamichhane

Dissertations

Method of particular solutions (MPS) has been implemented in many science and engineering problems but obtaining the closed-form particular solutions, the selection of the good shape parameter for various radial basis functions (RBFs) and simulation of the large-scale problems are some of the challenges which need to overcome. In this dissertation, we have used several techniques to overcome such challenges.

The closed-form particular solutions for the Matérn and Gaussian RBFs were not known yet. With the help of the symbolic computational tools, we have derived the closed-form particular solutions of the Matérn and Gaussian RBFs for the Laplace and biharmonic …

Design And Synthesis Of Dynamic Covalent Polymer Scaffolds With Controlled Architectures, Emily Annette Hoff

Dissertations

The design and synthesis of functional, controlled polymer architectures is essential to the development of new materials with precise and tailorable properties or applications. The work described in this dissertation focuses on the development of controlled polymer architectures with dynamic linkages for the design of multifunctional materials and surfaces via robust, efficient, and stimuli-responsive strategies.

In Chapter III, a post-polymerization modification strategy based on ambient temperature nucleophilic chemical deblocking of polymer scaffolds bearing N-heterocycle blocked isocyanate moieties is reported. Room temperature RAFT polymerization of three azole-N-carboxamide methacrylates, including 3,5-dimethyl pyrazole, imidazole, and 1,2,4-triazole derivatives, afforded reactive polymer scaffolds …

Electrogenerated Chemiluminescence Study Of Semiconductor Nanoparticles Towards Sensitive Detection Of Biomolecules, Yiliyasi Wusimanjiang

Dissertations

The main focus of this dissertation is to unfold the fundamental aspects of electrogenerated chemiluminescence (ECL) generation from semiconductor nanoparticles (also known as quantum dots or QDs) within different ECL systems. The ECL and photo-physical interactions between the CdTe QDs (λ_emission= ~760 nm) and the CdSe QDs (λ_emission= ~550 nm), as well as the effects of carbon nanotubes on ECL of QDs were separately investigated. Optimum experimental conditions for peptide bond formation on an electrode surface through EDC (1-ethyl-3-(-3-dimethylaminopropyl) carbodiimide hydrochloride)/NHS (N-Hydroxysulfosuccinimide) coupling were also revealed using cyclic voltammetry technique. Based on the information …

Cavity Ringdown Spectroscopy In Nitrogen/Oxygen Mixtures In The Presence Of Alpha Radiation, Sidney John Gautrau

Master's Theses

This research was part of an effort to experimentally validate computational models under development for radiation-induced atmospheric effects. Cavity Ringdown Spectroscopy (CRDS) was used to measure the concentration of chemical products generated as a result of radiation interactions in a controlled atmosphere. Experiments were conducted in a vacuum chamber interfaced with a gas introduction system that controlled the initial atmospheric composition. A quadrupole mass spectrometer and tunable dye laser were integrated to confirm initial atmospheric composition, and provide wavelength flexibility for detecting a variety of chemical products generated by radiation interactions. CRDS measurements were made for ozone production resulting from …

Marine Microalgae: Climate, Energy, And Food Security From The Sea, Charles H. Greene, Mark E. Huntley, Ian Archibald, Léda N. Gerber, Deborah L. Sills, Joe Granados, Jefferson W. Tester, Colin M. Beal, Michael J. Walsh, Robert R. Bidigare, Susan L. Brown, William P. Cochlan, Zackary I. Johnson, Xin Gen Lei, Stephen C. Machesky, Donald Redalje, Ruth E. Richardson, Viswanath Kiron, Virginia Corless

Faculty Publications

Climate, energy, and food security are three of the greatest challenges society faces this century. Solutions for mitigating the effects of climate change often conflict with solutions for ensuring society’s future energy and food requirements. For example, BioEnergy with Carbon Capture and Storage (BECCS) has been proposed as an important method for achieving negative CO2 emissions later this century while simultaneously producing renewable energy on a global scale. However, BECCS has many negative environmental consequences for land, nutrient, and water use as well as biodiversity and food production. In contrast, large-scale industrial cultivation of marine microalgae can provide society with …

Using Proxy Records To Document Gulf Of Mexico Tropical Cyclones From 1820-1915, Jordan V. Pino, Robert V. Rohli, Kristine L. Delong, Grant L. Harley, Jill C. Trepanier

Faculty Publications

Observations of pre-1950 tropical cyclones are sparse due to observational limitations; therefore, the hurricane database HURDAT2 (1851–present) maintained by the National Oceanic and Atmospheric Administration may be incomplete. Here we provide additional documentation for HURDAT2 from historical United States Army fort records (1820–1915) and other archived documents for 28 landfalling tropical cyclones, 20 of which are included in HURDAT2, along the northern Gulf of Mexico coast. One event that occurred in May 1863 is not currently documented in the HURDAT2 database but has been noted in other studies. We identify seven tropical cyclones that occurred before 1851, three of which …

Block Ionomer Complexes Consisting Of Sirna And ARaft-Synthesized Hydrophilic-Block-Cationic Copolymers Ii: The Influence Of Cationic Block Charge Density On Gene Suppression, Keith Hampton Parsons, Andrew Christopher Holley, Gabrielle A. Munn, Alex S. Flynt, Charles L. Mccormick

Faculty Publications

Block ionomer complex (BIC)–siRNA interactions and effectiveness in cell transfection are reported. Aqueous RAFT polymerization was used to prepare a series of hydrophilic-block-cationic copolymers in which the cationic block statistically incorporates increasing amounts of neutral, hydrophilic monomer such that the number of cationic groups remains unchanged but the cationic charge density is diluted along the polymer backbone. Reduced charge density decreases the electrostatic binding strength between copolymers and siRNA with the goal of improving siRNA release after targeted cellular delivery. However, lower binding strength resulted in decreased transfection and RNA interference pathway activation, leading to reduced gene knockdown. Enzymatic siRNA …

Solving Fredholm Integral Equations Via A Piecewise Linear Maximum Entropy Method, Congming Jin, Jiu Ding

Faculty Publications

We propose a piecewise linear approximation method, based on the maximum entropy principle, to approximate a nonnegative solution of a Fredholm integral equation numerically. The theoretical analysis and numerical examples show that our method has a convergence rate of order 2, and it can get more accurate approximations with more moments used without ill-condition of the classic maximum entropy approach. The method can also be applied to solve Fredholm integral equations with singular kernels.

Inversion Of Diffraction Data For Amorphous Materials, Anup Pandey, Parthapratim Biswas, D.A. Drabold

Faculty Publications

The general and practical inversion of diffraction data–producing a computer model correctly representing the material explored–is an important unsolved problem for disordered materials. Such modeling should proceed by using our full knowledge base, both from experiment and theory. In this paper, we describe a robust method to jointly exploit the power of ab initio atomistic simulation along with the information carried by diffraction data. The method is applied to two very different systems: amorphous silicon and two compositions of a solid electrolyte memory material silver-doped GeSe₃. The technique is easy to implement, is faster and yields results much …

A New Class Of Allosteric Hiv-1 Integrase Inhibitors Identified By Crstallographic Fragment Screening Of The Catalytic Core Domain, Disha Patel, Janet Antwi, Pratibha C. Koneru, Erik Serrao, Stefano Forli, Jacques J. Kessl, Lei Feng, Nanjie Deng, Ronald M. Levy, James R. Fuchs, Arthur J. Olson, Alan N. Engelman, Joseph D. Bauman, Mamuka Kvaratskhelia, Eddy Arnold

Faculty Publications

HIV-1 integrase (IN) is essential for virus replication and represents an important multifunctional therapeutic target. Recently discovered quinoline-based allosteric IN inhibitors (ALLINIs) potently impair HIV-1 replication and are currently in clinical trials. ALLINIs exhibit a multimodal mechanism of action by inducing aberrant IN multimerization during virion morphogenesis and by competing with IN for binding to its cognate cellular cofactor LEDGF/p75 during early steps of HIV-1 infection. However, quinoline-based ALLINIs impose a low genetic barrier for the evolution of resistant phenotypes, which highlights a need for discovery of second-generation inhibitors. Using crystallographic screening of a library of 971 fragments against the …

Recurrence Relations For Orthogonal Polynomials For Pdes In Polar And Cylindrical Geometrics, Megan Richardson, James V. Lambers

Faculty Publications

This paper introduces two families of orthogonal polynomials on the interval (−1,1), with weight function w(x)=1. The first family satisfies the boundary condition p(1)=0, and the second one satisfies the boundary conditions p(-1)=p(1)=0. These boundary conditions arise naturally from PDEs defined on a disk with Dirichlet boundary conditions and the requirement of regularity in Cartesian coordinates. The families of orthogonal polynomials are obtained by orthogonalizing short linear combinations of Legendre polynomials that satisfy the same boundary conditions. Then, the three-term recurrence relations are derived. Finally, it is shown that from these recurrence relations, one can …

Systematic Bias In Baroclinic Energy Estimates In Shelf Seas, Gordon R. Stephenson, J. A. Mattias Green, Mark E. Inall

Faculty Publications

A simple model of an internal wave advected by an oscillating barotropic flow suggests flaws in standard approaches to estimating properties of the internal tide. When the M₂ barotropic tidal current amplitude is of similar size to the phase speed of the M₂ baroclinic tide, spectral and harmonic analysis techniques lead to erroneous estimates of the amplitude, phase, and energy in the M₂ internal tide. In general, harmonic fits and bandpass or low-pass filters that attempt to isolate the lowest M₂ harmonic significantly underestimate the strength of M₂ baroclinic energy fluxes in shelf seas. Baroclinic …

A Supervised Classification Method For Levee Slide Detection Using Complex Synthetic Aperture Radar Imagery, Ramakalavathi Marapareddy, James V. Aanstoos, Nicolas H. Younan

Faculty Publications

The dynamics of surface and sub-surface water events can lead to slope instability, resulting in anomalies such as slough slides on earthen levees. Early detection of these anomalies by a remote sensing approach could save time versus direct assessment. We have implemented a supervised Mahalanobis distance classification algorithm for the detection of slough slides on levees using complex polarimetric Synthetic Aperture Radar (polSAR) data. The classifier output was followed by a spatial majority filter post-processing step that improved the accuracy. The effectiveness of the algorithm is demonstrated using fully quad-polarimetric L-band Synthetic Aperture Radar (SAR) imagery from the NASA Jet …

Determining The Viability Of Recent Storms As Modern Analogues For North-Central Gulf Of Mexico Paleotempestology Through Sedimentary Analysis And Storm Surge Reconstruction, Joshua Caleb Bregy

Master's Theses

The northern Gulf of Mexico has been devastated by recent intense storms. Camille (1969) and Katrina (2005) are two notable hurricanes that made landfall in virtually the same location in Mississippi. However, fully understanding the risks and processes associated with hurricane impacts is impeded by a short and fragmented instrumental record. Paleotempestology could potentially use modern analogues from intense storms in this region to extend the hurricane record back to pre-observational time. Existing empirically based models can back-calculate surge heights over coastal systems as a function of transport distance, particle settling velocity, and gravitational acceleration. We collected cores in a …

Correlation Of Polymer Performance And Hansen Solubility Parameters, Daniel Jobse Mania

Master's Theses

Ready-to-use (RTU) grout is becoming more important to the finish and remodeling construction industry. Market research shows it is a fast-growing product that not only is creating its own space, but is beginning to supplant existing technology.

The original intent of this research was to investigate formulation parameters and how they affect grout performance. It was learned that particle size and oil absorption (OA) value are important filler properties that affect performance as much as adequate packing density and optimal pigment volume concentration (PVC) without going beyond critical PVC (CPVC).

Polymer architecture was also determined to be extremely important, but …

Krylov Subspace Spectral Method With Multigrid For A Time-Dependent, Variable-Coefficient Partial Differential Equation, Haley Renee Dozier

Master's Theses

Krylov Subspace Spectral (KSS) methods are traditionally used to solve time-dependent, variable-coefficient PDEs. They are high-order accurate, component-wise methods that are efficient with variable input sizes.

This thesis will demonstrate how one can make KSS methods even more efficient by using a Multigrid-like approach for low-frequency components. The essential ingredients of Multigrid, such as restriction, residual correction, and prolongation, are adapted to the timedependent case. Then a comparison of KSS, KSS with Multigrid, KSS-EPI and standard Krylov projection methods will be demonstrated.

Protein Residue-Residue Contact Prediction Using Stacked Denoising Autoencoders, Joseph Bailey Luttrell Iv

Honors Theses

Protein residue-residue contact prediction is one of many areas of bioinformatics research that aims to assist researchers in the discovery of structural features of proteins. Predicting the existence of such structural features can provide a starting point for studying the tertiary structures of proteins. This has the potential to be useful in applications such as drug design where tertiary structure predictions may play an important role in approximating the interactions between drugs and their targets without expending the monetary resources necessary for preliminary experimentation. Here, four different methods involving deep learning, support vector machines (SVMs), and direct coupling analysis were …

The Influence Of The Electric Supply Industry On Economic Growth In Less Developed Countries, Edward Richard Bee

Dissertations

This study measures the impact that electrical outages have on manufacturing production in 135 less developed countries using stochastic frontier analysis and data from World Bank’s Investment Climate surveys. Outages of electricity, for firms with and without backup power sources, are the most frequently cited constraint on manufacturing growth in these surveys.

Outages are shown to reduce output below the production frontier by almost five percent in Africa and by a lower percentage in South Asia, Southeast Asia and the Middle East and North Africa. Production response to outages is quadratic in form. Outages also increase labor cost, reduce exports …

Hybrid Chebyshev Polynomial Scheme For The Numerical Solution Of Partial Differential Equations, Balaram Khatri Ghimire

Dissertations

In the numerical solution of partial differential equations (PDEs), it is common to find situations where the best choice is to use more than one method to arrive at an accurate solution. In this dissertation, hybrid Chebyshev polynomial scheme (HCPS) is proposed which is applied in two-step approach and one-step approach. In the two-step approach, first, Chebyshev polynomials are used to approximate a particular solution of a PDE. Chebyshev nodes which are the roots of Chebyshev polynomials are used in the polynomial interpolation due to its spectral convergence. Then, the resulting homogeneous equation is solved by boundary type methods including …

The Synthesis Of Chemosensors For Toxic Analytes, Johnathan Hugh Broome

Dissertations

A number of chemosensors have been designed and synthesized to target cations (Zn²⁺ions), neutral molecules (cathinones), charged molecules (aminoindanes), and anions. The Zn²⁺ ion sensor featured bistriazole designed binding unit and ferrocene signaling units. Characterization of Zn²⁺ ion binding was carried out with electrochemical techniques (CV and DPV), ¹H-NMR, mass spectrometry, and molecular modelling. It exhibited a 1:1 binding stoichiometry with Zn²⁺ and had an affinity for ZnCl₂ (Log K_1:1 = 4.1 ± 0.02) over other Zn²⁺ salts.

The cathinone probe was designed to selectively bind mephedrone over common street drugs …

Preparation And Characterization Of Singlet-Oxygen Generating Thiol-Ene Networks Containing Fullerene And Metallofullerene Derivatives, Emily Matthews Barker

Dissertations

This work explores the derivatization of C₆₀ and Sc₃N@C₈₀ with S-, P-, and C- centered radicals, and is the first exploration into the functionalization of Sc₃N@C₈₀ with sulfur and phosphorous. The number of addends bound to C₆₀, as a function of reaction time and molar ratios, as well as, structure-property relationships including thermal stability, solubility, and singlet oxygen generation were explored. Fullerene derivatives exhibiting enhanced solubility were incorporated into two different thiol-ene polymer matrices at varying thiol-ene monomer concentrations (1:1 or 1:0.75 molar equivalents) and at different C₆₀ loadings (0, …

A Library Of Coumarin-Enaminone Chemodosimeters For The Detection Of Analytes, Aaron Berrell Davis

Dissertations

Many anions and metal ions are of biological and environmental importance. This work describes our attempts to synthesize molecular probes to specifically target cyanide, zinc, cadmium and mercury as these species can often result in negative effects to the environment and the human body.

The work in this dissertation, describes the synthesis of a family of coumarin-enamine chemodosimeters, in a straightforward synthetic procedure, the reaction between 7-(diethylamino)-4-hydroxycoumarin and a primary amine. The work presented in this dissertation demonstrates that these molecules can play dual roles and therefore the work is split into two distinct parts: Part 1 describes one role …

Analysis Of The Intricacies Of Substrate Recognition Of High Mobility Group Proteins And Aminoacyl-Trna Synthetases Using Non-Cognate Substrates, Douglas Van Iverson Ii

Dissertations

The studies presented in section 1 (Chapters I-IV) focus on the design and development of nucleic acid four-way junctions (4WJs) to target a member of the high mobility group (HMG) proteins, the proinflammatory cytokine high mobility group box 1 protein (HMGB1). In the present study, hybrid PNA-DNA 4WJs based on a model DNA 4WJ were constructed to improve the thermal stability of 4WJs while maintaining strong binding affinity toward HMGB1. An electrophoretic mobility shift assay (EMSA) was used to examine the binding affinity of an isolated DNA binding domain of HMGB1, the HMGB1 b-box (HMGB1b), toward a set of PNA-DNA …

Land Cover Data For The Mississippi-Alabama Barrier Islands, 2010-2011 Arcgis V10.3 Geodatabase, Gregory A. Carter, Carlton P. Anderson, Kelly L. Lucas, Nathan L. Hopper

Land Cover Data for the Mississippi-Alabama Barrier Islands, 2010-2011

Land cover on the Mississippi-Alabama barrier islands was surveyed in 2010-2011 as part of continuing research on island geomorphic and vegetation dynamics following the 2005 impact of Hurricane Katrina. Results of the survey include sub-meter GPS location, a listing of dominant vegetation species and field photographs recorded at 375 sampling locations distributed among Cat, West Ship, East Ship, Horn, Sand, Petit Bois and West Dauphin Islands. The survey was conducted in a period of intensive remote sensing data acquisition over the northern Gulf of Mexico by federal, state and commercial organizations in response to the 2010 Macondo Well (Deepwater Horizon) …