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A Raman Spectroscopic And Computational Study Of The Effects Of Halogen Bonding On Pyrimidine Containing Systems, Peyton Lindsey Reves
A Raman Spectroscopic And Computational Study Of The Effects Of Halogen Bonding On Pyrimidine Containing Systems, Peyton Lindsey Reves
Honors Theses
This thesis involves the study of the effects of halogen bonding on pyrimidine containing systems. Halogen bonding is a type of non-covalent interaction that can occur when a Lewis base interacts with an iodine, bromine, or chlorine atom in a second molecule. The phenomenon of halogen bonding is explained by the presence of a localized region of positive electrostatic potential that exists on the halogen. This positive region is referred to as the σ-hole, and gives halogen bonding its other common name, σ-hole bonding. The magnitude of the positive σ-hole depends on both the type of halogen molecule involved in …
Visualization Techniques Of Shear Wave Propagation In Wormlike Micellar Fluid, Connor M. Tierney
Visualization Techniques Of Shear Wave Propagation In Wormlike Micellar Fluid, Connor M. Tierney
Honors Theses
In an aqueous solution amphiphilic molecules can self-aggregate and form a wormlike micellar fluid. These non-Newtonian fluids have been studied in the context of diagnostic medical imaging due to the fact that the fluids have viscoelastic properties and can act as a nonperishable model for human tissue. They also display flow-birefringence, which is a property that allows for the analysis of shear wave propagation through the fluid. However, one issue encountered at lower micelle concentrations is the inability to see the emergent birefringence pattern that results from shear wave propagation. In this study Experiment 1 was an analysis of shear …
Comparison Of The Spatial Distributions Of Cavitation Damage With The Measured Diffraction Patterns For A High-Power Ultrasonic Transducer, Davis Lane Rogers
Comparison Of The Spatial Distributions Of Cavitation Damage With The Measured Diffraction Patterns For A High-Power Ultrasonic Transducer, Davis Lane Rogers
Honors Theses
The purpose of this study was to evaluate the performance of a model of the propagation of ultrasonic fields produced by an ultrasonic transducer, a device that uses a piezoelectric crystal to produce high-intensity ultrasonic waves. The transducer operates immersed in a water bath where it generates waves of sufficient intensity to produce non-linear phenomena that include acoustic streaming and cavitation. This study used a planar transducer to visualize the damaging effects of high-intensity ultrasonic waves targeted on acrylic plates. Seven plates were targeted and positioned from 8.5 to 11.5 cm from the transducer. The spatial distribution and degree of …
Pro-Aromatic Dye Components For Dye-Sensitized Solar Cells: Thienothiophene And Indolizine, George A. Puneky
Pro-Aromatic Dye Components For Dye-Sensitized Solar Cells: Thienothiophene And Indolizine, George A. Puneky
Honors Theses
Four D-π-A dyes based on a 3,4-thienothiophene Ï€-bridge were synthesized for use in dye-sensitized solar cells (DSCs). The pro-aromatic building block 3,4-thienothiophene has been reported to stabilize dye excited-state oxidation potentials. This lowering of excited-state energy levels permits for increased absorption into the near-infrared (NIR) region using relatively low molecular weight dyes. Strong donor functionality based on triaryl- and diarylamines are employed in the dye designs to raise both the ground and excited-state oxidation potentials to values capable of generating DSC devices with good open-circuit voltages. Solubility, aggregation, and TiO2 surface protection were addressed by examining an ethylhexyl alkyl chain …
Dna I-Motif Stabilization By Ligand Binding To Loop Regions, Harrison Reed Davis
Dna I-Motif Stabilization By Ligand Binding To Loop Regions, Harrison Reed Davis
Honors Theses
DNA i-motifs are a secondary structure of DNA that can be useful in a variety of ways, but this experiment investigates the maximum potential to stabilize i-motifs artificially with a small molecule binding to loop regions. DNA with different position and number of loops was tested to see to what extent the i-motif could be stabilized . A drug, Actinomycin D, was used for its known high affinity for a particular DNA sequence, which we used to make the loops of the i-motif. The binding constant for the drug to the DNA was determined through fluorescense spectroscopy while the presence …
A Visualization Tool For Survey Responses And A Unifying Interface Redesign, Iva Cramer
A Visualization Tool For Survey Responses And A Unifying Interface Redesign, Iva Cramer
Honors Theses
As an intern for financial software company FNC, Inc. during the summer of 2014, my fellow interns and I began an innovation project for creating and analyzing surveys for better client feedback methods. I have continued this project even after the internship, and this thesis covers that continuation: the visualization of survey responses and the redesign of the page on which they are contained. The project detailed here was to revamp the survey statistics page with a coherent layout that matches the rest of the site in addition to overhauling the actual graphs and charts for aesthetic and accuracy.
A Computational Comparison Of The Hydrophobic Pocket Of Neural And Epithelial Cadherins For The Purpose Of Identifying A Selective Inhibitor, Ross E. Straughan
A Computational Comparison Of The Hydrophobic Pocket Of Neural And Epithelial Cadherins For The Purpose Of Identifying A Selective Inhibitor, Ross E. Straughan
Honors Theses
Classical cadherins are a subfamily of calcium-dependent cellular adhesion molecules that play an important role in the formation of cellular junctions in many tissues. The extracellular portion of cadherins consists of five tandem-repeated domains (EC1-EC5). The critical first step in cadherin-mediated cellular adhesion occurs at the interface between two adjacent EC1 domains in which the transition from monomer to dimer is accomplished by docking the W2 residue of the N-terminal β-strand of one EC1 domain into the hydrophobic pocket of its partner domain. Cancer and many other diseases have been linked to the aberrant expression of Epithelial (E-cad) and Neural …
Effective Tuning Of Bimetallic Composition Of Gold-Copper Nanomolecules And The Emergence Of Plasmon-Like Feature In Optical Spectra, Asantha Champika Dharmaratne
Effective Tuning Of Bimetallic Composition Of Gold-Copper Nanomolecules And The Emergence Of Plasmon-Like Feature In Optical Spectra, Asantha Champika Dharmaratne
Electronic Theses and Dissertations
Au144-xCux(SR)60 alloy nanomolecules were synthesized and characterized by using ESI-MS to atomic precision. A maximum of 23 copper atoms replace the gold atoms; when the number of copper atoms is higher than eight, a surface plasmon-like peak appears at ∼520 nm. Based on the fundamental, elemental properties of Au and Cu, we predict a mixed atomic ordering and incorporation into the Au12 and Au 42 shells of the proposed icosahedral structured model. Alloy nanomolecules reported here could have potential applications in the field of catalysis and optical sensors.
Method Development For Mass Spectrometric Characterization Of Ultra-Small Nanomolecules And Mass Spectrometry Imaging Of Selected Biomolecules, Nuwan K. Kothalawala
Method Development For Mass Spectrometric Characterization Of Ultra-Small Nanomolecules And Mass Spectrometry Imaging Of Selected Biomolecules, Nuwan K. Kothalawala
Electronic Theses and Dissertations
High sensitivity, selectivity and remarkable identification capabilities facilitate the applicability of mass spectrometry (MS) in diverse fields. This dissertation outlines how this cutting edge technology is used to determine the chemical composition of the ultra-small nanomolecules (NMs) to atomic precision and obtain spatial resolution of selected biomolecules using mass spectrometry imaging (MSI). Chapter I includes introduction to electrospray ionization (ESI) and matrix assisted laser desorption ionization (MALDI) MS used in my PhD research. Chapter II explains how high resolution ESI-MS methods were developed to analyze the polar water-soluble NMs. These new methods express how ESI-MS parameters need to be optimized …
Power And Hotspot Modeling For Modern Gpus, Md Mainul Hassan
Power And Hotspot Modeling For Modern Gpus, Md Mainul Hassan
Electronic Theses and Dissertations
As General Purpose GPUs (GPGPU) are increasingly becoming a prominent component of high performance computing platforms, power and thermal dissipation are getting more attention. The trade-offs among performance, power, and heat must be well modeled and evaluated from the early stage of GPU design. This necessitates a tool that allows GPU architects to quickly and accurately evaluate their design. There are a few models for GPU power but most of them estimate power at a higher level than architecture, which are therefore missing hardware reconfigurability. In this thesis, we propose a framework that models power and heat dissipation at the …
The Least Prime Number That Splits Completely In S3-Sextic Number Fields, Zhenchao Ge
The Least Prime Number That Splits Completely In S3-Sextic Number Fields, Zhenchao Ge
Electronic Theses and Dissertations
In number theory, an integer n is quadratic residue modulo an odd prime p if n is congruent to a perfect square modulo p. Otherwise, n is is called a quadratic nonresidue. Bounding the least prime quadratic residue and the least quadratic nonresidue are two very classical problems in number theory. These classical problems can be generalized to any number field K by asking for bounds the least for prime that splits completely or does not split completely, respectively, in the ring of integers of K. The goal of this thesis is to bound the least prime that splits completely …
Microtremor Recordings In Northern Mississippi: Evaluating Site Effect And Correlating With Wave Climate, Zhen Guo
Electronic Theses and Dissertations
Site effects is considered as one of the main reasons that cause enormous damages in earthquakes and it is mainly controlled by the local geological condition. The main research area, Northern Mississippi, is located in Mississippi Embayment (ME) where is mainly composed of unconsolidated sediments which can be as thick as 1400m along the Mississippi River floodplain, and is favorable to have significant site effects. Meanwhile Northern Mississippi is also located in the moderate to heavy potential damage area of the New Madrid Seismic Zone, which is in the northern section of ME. Therefore, it is very necessary to evaluate …
Specification And Mechanical Verification Of Performance Profiles Of Software Components, Nighat Yasmin
Specification And Mechanical Verification Of Performance Profiles Of Software Components, Nighat Yasmin
Electronic Theses and Dissertations
Software performance predictability is vital to a system design and unpredictable performance is a leading cause of software failure. The emphasis of this dissertation is on verification that component-based software performs as specified. Performance profiles (specifications) depend on functional specifications and are necessary for all components for modular verification. Modular verification process is scalable because it uses profiles as contracts and allows verification of a single component in isolation with the assumption that any underlying component would have already been verified or will be verified to meet its specifications independently. This dissertation presents an integration of performance specification (profiles) with …
Complex Vector Lattices: Tensor Products And Multilinear Maps, Christopher Michael Schwanke
Complex Vector Lattices: Tensor Products And Multilinear Maps, Christopher Michael Schwanke
Electronic Theses and Dissertations
In this thesis, we study completions of Archimedean real vector lattices relative to any nonempty set of continuous positively homogeneous functions defined on Rn. Examples of such completions include square mean closed vector lattices and geometric mean closed vector lattices. These functional completions lead to a vector lattice complexification of any Archimedean real vector lattice. Unlike the vector space complexification of an Archimedean real vector lattice, the vector lattice complexification always results in an Archimedean complex vector lattice. For example, we prove that the vector space complexification of the Fremlin tensor product C(X)⊗C(Y) is not a complex vector lattice when …
Gold Nanomolecules : Developing Synthetic Protocols, Characterization And Investigation Of Ligand Effects On Structure And Properties, Praneeth Reddy Nimmala
Gold Nanomolecules : Developing Synthetic Protocols, Characterization And Investigation Of Ligand Effects On Structure And Properties, Praneeth Reddy Nimmala
Electronic Theses and Dissertations
The term "Nano" in chemistry refers to particles/molecules in the size range 1 to 100 nm. Gold nanoparticles were used in ancient times in making decorative glass as they produce vibrant, size dependent, colors upon interaction with light. Gold is a preferred choice of metal for the synthesis of nanoparticles mainly due to its inertness to atmospheric conditions and most chemicals. Gold thiolate nanomolecules, which is the primary focus of this dissertation research, are chemical molecules with a fixed number of gold atoms and organo-thiolate ligands. They are of the form Aux(SR)y and possess molecule-like properties as a result of …
Semi-Leptonic Decay Of Lambda-B In The Standard Model And With New Physics, Wanwei Wu
Semi-Leptonic Decay Of Lambda-B In The Standard Model And With New Physics, Wanwei Wu
Electronic Theses and Dissertations
Heavy quark decays provide a very advantageous investigation to test the Standard Model (SM). Recently, promising experiments with b quark, as well as the analysis of the huge data sets produced at the B factories, have led to an increasing study and sensitive measurements of relative b quark decays. In this thesis, I calculate various observables in the semi-leptonic decay process Λb → Λ cτν[special character omitted]τ both in the SM and in the presence of New Physics (NP) operators with different Lorentz structures. The results are relevant for the coming measurement of this semi-leptonic decay at LHC b experiment …
Accurate Computation Of Molecular Properties From Novel Applications Of Quantum Mechanical Wavefunction Methods, James Coleman Howard
Accurate Computation Of Molecular Properties From Novel Applications Of Quantum Mechanical Wavefunction Methods, James Coleman Howard
Electronic Theses and Dissertations
High-accuracy quantum mechanical (qm) wavefunction methods have been applied to compute molecular properties of weakly-bound clusters. This work focuses on both extending the applicability of robust theoretical methods to larger systems and also determining the inherent accuracy of ab initio methods when compared to experimentally measured properties. Described here is the development of an efficient many-body approach that offers the ability to reduce both the time and the computational resources normally required to compute these properties reliably. The n-body:many-body qm:qm technique has been extended to compute harmonic vibrational frequencies of clusters. Applying this methodology to small hydrogen-bonded clusters demonstrates that …
Progress Toward The Total Synthesis Of The Natural Product Herbicide Ascaulitoxin Aglycone, Jeffery Brian Morgan
Progress Toward The Total Synthesis Of The Natural Product Herbicide Ascaulitoxin Aglycone, Jeffery Brian Morgan
Electronic Theses and Dissertations
Ascaulitoxin aglycone is a structurally unique bis-amino acid isolated from the fungal species Ascochyta caulina, with herbicidal activity against Chenopodium album. Ascaulitoxin aglycone's potent herbicidal activity coupled with an unknown but novel mechanism of action makes it a perfect candidate for further study in the pursuit of new natural product herbicides. This dissertation research will illustrate three synthetic strategies towards the total synthesis of ascaulitoxin aglycone from chiral pool building blocks. Strategy 1 invokes the use of the Henry reaction as a key step for the construction of the central C4-C5 cis-aminohydroxy group, which was moderately successful, but abandoned in …
A Study Of The Impact Of Ph On The Structure And Stability Of Epithelial Cadherin, Catherine Abadie
A Study Of The Impact Of Ph On The Structure And Stability Of Epithelial Cadherin, Catherine Abadie
Honors Theses
Epithelial (E-) cadherin is a transmembrane protein whose function lies in cell-to-cell adhesion. It is a transmembrane component of adherens junctions of epithelial tissues, thereby connecting the actin cytoskeletons of adhered cells. It has five extracellular domains, a small transmembrane portion, and a cytoplasmic tail. The molecule must bind calcium in order to form an adhesive dimer with a cadherin molecule emanating from an adjacent cell. Cancer of the epithelial tissue, carcinoma, is accompanied by acidification of the tissue and a loss in cell adhesion. The long-term goal of this project is to determine the effect of a decrease in …
Para-Interface: A Novel Interface For Para-Aeh Software Suite, Michael Ginn
Para-Interface: A Novel Interface For Para-Aeh Software Suite, Michael Ginn
Honors Theses
Para-AEH is a software suite designed to the Asymptotic Expansion Homogenization method. This method is commonly used to model structures by using differential equations to represent larger structure from a smaller structure input. In order to facilitate the University of Mississippi's Department of Mechanical Engineering's research purposes the software needed to be installed. A novel interface was designed to remove the overhead of interacting with the software on a command line based level. The software allows the management of users that can access the software and jobs that package several commands together for asynchronous execution without manual intervention.
Properties Of A Fluorescent Deoxycytidine Analog In I-Motif Dna, Sara E. Wingate
Properties Of A Fluorescent Deoxycytidine Analog In I-Motif Dna, Sara E. Wingate
Honors Theses
Experiments to determine fluorescence lifetimes and fluorescence quenching constants were performed using oligonucleotides of DNA containing PdC, a fluorescent analog of cytidine, at five different locations in the i-motif. My experiments were chosen in order to better understand the structural characteristics of i-motif DNA, which are thought to have biological importance in cancer and drug delivery. Fluorescent lifetime experiments were carried out using an ISS K2 fluorescence instrument with a modulated LED light source in order to determine if the cytidine bases in DNA replaced by PdC were paired or unpaired in the i-motif structure. The resulting data allowed us …
Towards The Synthesis Of A Swallowtailed Perylene Monoimide, Wyatt S. Whicker
Towards The Synthesis Of A Swallowtailed Perylene Monoimide, Wyatt S. Whicker
Honors Theses
This project was initiated in conjunction with Dr. Justin Youngblood from the University of North Texas. The goal was to synthesize a molecule to be used in solar cell testing. The target molecule involved combining donor and acceptor groups to make a combination that would be able to transfer electricity in a unilateral direction to increase efficiency in solar cells. My project involved the donor portion, a perylene monoimide donor with a long alkyl swallowtail to impart solubility. While the final molecule was not synthesized, the proposed procedure for making such a molecule was improved upon. A perylene tetracarboxylic dianhydride …
Gini Covariance Matrix And Its Affine Equivariant Version, Lauren Anne Weatherall
Gini Covariance Matrix And Its Affine Equivariant Version, Lauren Anne Weatherall
Electronic Theses and Dissertations
Gini's mean difference (GMD) and its derivatives such as Gini index have been widely used as alternative measures of variability over one century in many research fields especially in finance, economics and social welfare. In this dissertation, we generalize the univariate GMD to the multivariate case and propose a new covariance matrix so called the Gini covariance matrix (GCM). The extension is natural, which is based on the covariance representation of GMD with the notion of multivariate spatial rank function. In order to gain the affine equivariance property for GCM, we utilize the transformation-retransformation (TR) technique and obtain TR version …
Biomolecular Folding Rates As Understood From Single-Reaction-Coordinate Langevin Dynamics And Kramers’ Theory, Md Adnan Kabir
Biomolecular Folding Rates As Understood From Single-Reaction-Coordinate Langevin Dynamics And Kramers’ Theory, Md Adnan Kabir
Electronic Theses and Dissertations
Langevin dynamics was used to model the folding and unfolding of simple, hairpin-like biomolecules whose ends are attached to laser-trapped beads, as occurs in optical tweezers experiments. The Langevin process was evolved numerically, using parameters motivated by real experimental systems. Folding trajectories were generated and analyzed to extract the folding rate as a function of the force applied to the beads. The observed rate was compared to the analytical predictions of Kramers' theory. Strong discrepancies were noted. The failure of the Kramers' theory was attributed to the slow dynamical response of the beads, which it does not account for. The …
Effect Of Accelerated Global Expansion On Bending Of Light, Mir Emad Aghili
Effect Of Accelerated Global Expansion On Bending Of Light, Mir Emad Aghili
Electronic Theses and Dissertations
No abstract provided.
Acousto-Electric Impedance Of Ferroelectric Phononic Superlattice, Ola Hassan Nusierat
Acousto-Electric Impedance Of Ferroelectric Phononic Superlattice, Ola Hassan Nusierat
Electronic Theses and Dissertations
The Acousto-Electric Impedance z of a Ferroelectric Phononic Superlattice (fps) is investigated. The analytical derivation of z and its phase reveal that both are functions of physical parameters such as the electromechanical coupling coefficient, the mechanical quality factor, the domain length and the phase velocity of the plate acoustic waves (paw). Mathematical code is produced that allows for modeling z in a two dimensional fps. It is observed that z depends on the number of domains in the fps structure. Fewer domains in the structure might minimize z or make it approach zero at certain conditions. A series of experiments …
Exploration Of Novel Synthetic Utility Of Lithioacetonitirile, Rambabu Sankranti
Exploration Of Novel Synthetic Utility Of Lithioacetonitirile, Rambabu Sankranti
Electronic Theses and Dissertations
No abstract provided.
The Spectroscopic Characterization Of Newly Developed Emissive Materials And The Effects Of Environment On Their Photophysical Properties, Louis Edward Mcnamara
The Spectroscopic Characterization Of Newly Developed Emissive Materials And The Effects Of Environment On Their Photophysical Properties, Louis Edward Mcnamara
Electronic Theses and Dissertations
The development of new materials capable of efficient charge transfer and energy storage has become increasingly important in many areas of modern chemical research. This is especially true for the development of emissive optoelectronic devices and in the field of solar to electric energy conversion. The characterization of the photophysical properties of new molecular systems for these applications has become critical in the design and development of these materials. Many molecular building blocks have been developed and understanding the properties of these molecules at a fundamental level is essential for their successful implementation and future engineering. This dissertation focuses on …
Design And Implementation Of Fast Motion Estimation In Modern Video Compression On Gpu, Zhaohua Yi
Design And Implementation Of Fast Motion Estimation In Modern Video Compression On Gpu, Zhaohua Yi
Electronic Theses and Dissertations
Motion estimation is the most compute expensive part of high definition video compression. It accounts for more than 50\% of overall execution. Therefore, improving the performance of motion estimation can make significant impact on the overall performance of video compression. The performance of motion estimation can be improved in two aspects: algorithm and implementation. This thesis touches both aspects. We first propose an innovative motion estimation algorithm by replacing the traditional block matching method which comparing blocks pixel by pixel with a brand new method which based on lbp (local binary pattern) code. Our new method first encodes the original …
Mercury Methylation Potentials In Sediments An Ancient Cypress Wetland Using Species-Specific Isotope Dilution-Gc-Icp-Ms: Analytical Method Development And The Effect Of Sorbent Amendments, Derek Davin Bussan
Electronic Theses and Dissertations
A novel method was developed to measure mercury (Hg) directly in environmental solids using inductively coupled plasma mass spectrometry (ICP-MS) with online sample ashing. The method combines a direct mercury analyzer (DMA) that is based on sample combustion, Hg pre-concentration by amalgamation with gold, and atomic absorption spectrometry (AAS), with a high resolution ICP-MS. Unlike AAS, the ICP-MS is capable of individual isotope measurements allowing for accurate quantitation by isotope dilution mass spectrometry (IDMS) and for isotope tracer experiments. The method was validated using certified reference materials including sediment (NIST 2709), leaves (NIST 1547), and fish-muscle (DORM-3), with recoveries within …