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Doctoral Dissertations

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Articles 901 - 930 of 1882

Full-Text Articles in Physical Sciences and Mathematics

Proactive Search: Using Outcome-Based Dynamic Nearest-Neighbor Recommendation Algorithms To Improve Search Engine Efficacy, Christopher Shaun Wagner Jan 2014

Proactive Search: Using Outcome-Based Dynamic Nearest-Neighbor Recommendation Algorithms To Improve Search Engine Efficacy, Christopher Shaun Wagner

Doctoral Dissertations

"The explosion of readily available electronic information has changed the focus of data processing from data generation to data discovery. The prevalent use of search engines has generated extensive research into improving the speed and accuracy of searches. The goal of this research is to accurately predict user behavior as a means to proactively improve speed, accuracy, and predictability of search engines. The proactive approach eliminates query entry time and hence reduces the overall processing time, improving speed. Assuming success, the user locates an electronic resource of interest, improving accuracy.

Algorithms that have been shown to predict many vastly different …


Energy Efficient And Latency Aware Adaptive Compression In Wireless Sensor Networks, Thomas Mark Daniel Szalapski Jan 2014

Energy Efficient And Latency Aware Adaptive Compression In Wireless Sensor Networks, Thomas Mark Daniel Szalapski

Doctoral Dissertations

"Wireless sensor networks are composed of a few to several thousand sensors deployed over an area or on specific objects to sense data and report that data back to a sink either directly or through a series of hops across other sensor nodes. There are many applications for wireless sensor networks including environment monitoring, wildlife tracking, security, structural heath monitoring, troop tracking, and many others. The sensors communicate wirelessly and are typically very small in size and powered by batteries. Wireless sensor networks are thus often constrained in bandwidth, processor speed, and power. Also, many wireless sensor network applications have …


Part I: In-Situ Fluorometric Quantification Of Microalgal Neutral Lipids Part Ii: Thermal Degradation Behavior Of Investment Casting Polymer Patterns, Hongfang Zhao Jan 2014

Part I: In-Situ Fluorometric Quantification Of Microalgal Neutral Lipids Part Ii: Thermal Degradation Behavior Of Investment Casting Polymer Patterns, Hongfang Zhao

Doctoral Dissertations

"Research described in this dissertation covers two topics. Part-I is focused on in-situ determination of neutral lipid content of microalgae using a lipophilic fluorescent dye. The traditional Nile red stain-based method for detecting microalgal intracellular lipids is limited due to varying composition and thickness of rigid cell walls. In this study, the addition of dilute acid and heating of solution, were found to greatly enhance staining efficiency of Nile red for microalgal species evaluated. Oil-in-water (O/W) microemulsion stabilized by a non-ionic surfactant was employed as a pseudo-standard that mimics lipid-bearing microalgal cells suspended in water. The average neutral lipid contents …


Degradable Nanocomposite Preformed Particle Gel For Chemical Enhanced Oil Recovery Applications, Paul Tongwa Jan 2014

Degradable Nanocomposite Preformed Particle Gel For Chemical Enhanced Oil Recovery Applications, Paul Tongwa

Doctoral Dissertations

”This work presents two new materials that can be potentially used in conformance control to increase ultimate oil recovery from mature oilfields.

The first product is a degradable nanocomposite preformed particle gel for enhanced in-depth mobility control. Three different types of degradable nanocomposite preformed particle gels were synthesized. These three nanocomposite hydrogels were made using Laponite XLG, Calcium Montmorillonite, and Sodium Montmorillonite nanomaterials. It was observed that after degradation, Laponite XLG nanocomposite hydrogels had the highest post-degradation viscosity (4437 cp), followed by sodium nanocomposite hydrogels (129 cp), and lastly calcium nanocomposite hydrogels (75.5 cp). Thus, degradable Laponite XLG nanocomposite hydrogels …


Precambrian Evolution Of The Salalah Crystalline Basement From Structural Analysis And 40Ar/39Ar Geochronology, Hanadi Abulateef Al-Doukhi Jan 2014

Precambrian Evolution Of The Salalah Crystalline Basement From Structural Analysis And 40Ar/39Ar Geochronology, Hanadi Abulateef Al-Doukhi

Doctoral Dissertations

"The Salalah Crystalline Basement (SCB) is the largest Precambrian exposure in Oman located on the southern margin of the Arabian Plate at the Arabian Sea shore. This work used remote sensing, detailed structural analysis and the analysis of ten samples using 40Ar/39Ar age dating to establish the Precambrian evolution of the SCB by focusing on its central and southwestern parts. This work found that the SCB evolved through four deformational events that shaped its final architecture: (1) Folding and thrusting event that resulted in the emplacement of the Sadh complex atop the Juffa complex. This event resulted …


Energy Efficient Security And Privacy Management In Sensor Clouds, Vimal Kumar Jan 2014

Energy Efficient Security And Privacy Management In Sensor Clouds, Vimal Kumar

Doctoral Dissertations

"Sensor Cloud is a new model of computing for Wireless Sensor Networks, which facilitates resource sharing and enables large scale sensor networks. A multi-user distributed system, however, where resources are shared, has inherent challenges in security and privacy. The data being generated by the wireless sensors in a sensor cloud need to be protected against adversaries, which may be outsiders as well as insiders. Similarly the code which is disseminated to the sensors by the sensor cloud needs to be protected against inside and outside adversaries. Moreover, since the wireless sensors cannot support complex, energy intensive measures, the security and …


On Some Inferential Problems With Recurrent Event Models, Withanage Ajith Raveendra De Mel Jan 2014

On Some Inferential Problems With Recurrent Event Models, Withanage Ajith Raveendra De Mel

Doctoral Dissertations

"Recurrent events (RE) occur in many disciplines, such as biomedical, engineering, actuarial science, sociology, economy to name a few. It is then important to develop dynamic models for their modeling and analysis. Of interest with data collected in a RE monitoring are inferential problems pertaining to the distribution function F of the time between occurrences, or that of the distribution function G of the monitoring window, and their functionals such as quantiles, mean. These problems include, but not limited to: estimating F parametrically or nonparametrically; goodness of fit tests on an hypothesized family of distributions; efficient of tests; regression-type models, …


Performance Modeling And Optimization Techniques For Heterogeneous Computing, Supada Laosooksathit Jan 2014

Performance Modeling And Optimization Techniques For Heterogeneous Computing, Supada Laosooksathit

Doctoral Dissertations

Since Graphics Processing Units (CPUs) have increasingly gained popularity amoung non-graphic and computational applications, known as General-Purpose computation on GPU (GPGPU), CPUs have been deployed in many clusters, including the world's fastest supercomputer. However, to make the most efficiency from a GPU system, one should consider both performance and reliability of the system.

This dissertation makes four major contributions. First, the two-level checkpoint/restart protocol that aims to reduce the checkpoint and recovery costs with a latency hiding strategy in a system between a CPU (Central Processing Unit) and a GPU is proposed. The experimental results and analysis reveals some benefits, …


The Role Of Potential Antioxidant In Medicinal Drug-Induced Oxidative Stress, Weili Fan Jan 2014

The Role Of Potential Antioxidant In Medicinal Drug-Induced Oxidative Stress, Weili Fan

Doctoral Dissertations

"Most medicinal drugs have adverse effects. Among the most commonly used of these drugs are several types, known as "oxidative drugs". These are believed to cause adverse effects that induce oxidative stress, an imbalance of generation and detoxification of reactive oxygen species. So it is a reasonable assumption that the antioxidant might alleviate the toxicity induced by these drugs. N-acetylcysteine (NAC), a synthetic thiol, is a free-radical scavenger and a precursor of glutathione (the main endogenous antioxidant). However, the negative charge of NAC at physiological pH limits its bioavailability. N-acetylcysteineamide (NACA) is neutral in charge and is believed to have …


Energy Aware And Privacy Preserving Protocols For Ad Hoc Networks With Applications To Disaster Management, Mayank Raj Jan 2014

Energy Aware And Privacy Preserving Protocols For Ad Hoc Networks With Applications To Disaster Management, Mayank Raj

Doctoral Dissertations

"Disasters can have a serious impact on the functioning of communities and societies. Disaster management aims at providing efficient utilization of resources during pre-disaster (e.g. preparedness and prevention) and post-disaster (e.g. recovery and relief) scenarios to reduce the impact of disasters. Wireless sensors have been extensively used for early detection and prevention of disasters. However, the sensor's operating environment may not always be congenial to these applications. Attackers can observe the traffic flow in the network to determine the location of the sensors and exploit it. For example, in intrusion detection systems, the information can be used to identify coverage …


Manufacturing Of Vegetable Oils-Based Epoxy And Composites For Structural Applications, Rongpeng Wang Jan 2014

Manufacturing Of Vegetable Oils-Based Epoxy And Composites For Structural Applications, Rongpeng Wang

Doctoral Dissertations

"Epoxidized vegetable oil (EVO) is one of the largest industrial applications of vegetable oils (VOs) and is widely used as a plasticizer and as a synthetic intermediate for polyol or unsaturated polyester. However, the utility of EVO as monomer for high performance epoxy thermoset polymer is limited by its reactivity and by the resulting physical properties. Herein, VO-based epoxy monomers, i.e., glycidyl esters of epoxidized fatty acids derived from soybean oil (EGS) or linseed oil (EGL), have been synthesized and were benchmarked against commercial available diglycidyl ether of bisphenol A (DGEBA) and also epoxidized soybean oil (ESO) controls. EGS and …


Automated Classification Of Malignant Melanoma Based On Detection Of Atypical Pigment Network In Dermoscopy Images Of Skin Lesions, Nabin K. Mishra Jan 2014

Automated Classification Of Malignant Melanoma Based On Detection Of Atypical Pigment Network In Dermoscopy Images Of Skin Lesions, Nabin K. Mishra

Doctoral Dissertations

“Melanoma causes more deaths than any other form of skin cancer. Early melanoma detection is important to prevent progression to a more deadly stage. Automated computer-based identification of melanoma from dermoscopic images of skin lesions is the most efficient method in early diagnosis. An automated melanoma identification system must include multiple steps, involving lesion segmentation, feature extraction, feature combination and classification. In this research, a classifier-based approach for automatically selecting a lesion border mask for segmentation of dermoscopic skin lesion images is presented. A logistic regression based model selects a single lesion border mask from multiple border masks generated by …


Biomineralization Of Carbonates In Modern Microbial Sediments And Its Implications For Co₂ Sequestration, Varun Gnanaprian Paul Jan 2014

Biomineralization Of Carbonates In Modern Microbial Sediments And Its Implications For Co₂ Sequestration, Varun Gnanaprian Paul

Doctoral Dissertations

"Several bacterial species influence carbonate mineral precipitation by modifying pH, alkalinity, Ca²⁺ activity and by providing nucleation sites for mineralization. Two studies have been undertaken to explore microbial influence in the mineralization of carbonates. In the first study, the ability of sulfate-reducing bacteria (SRB) to induce carbonate mineralization was investigated as a means to enhance mineral sequestration of CO₂. Sulfate-reducing bacteria enriched from hypersaline Storr's Lake, The Bahamas; Lake Estancia, New Mexico; and Great Salt Plains Lake, Oklahoma, were tested in reactors under varying CO₂ concentrations. Carbonate mineral precipitation was achieved only in reactors with Lake Estancia SRB community and …


Graphite Aerogels And The Formation Mechanism Of Unusual Micron-Sized Rod And Helical Structures, Clarissa Ann Wisner Jan 2014

Graphite Aerogels And The Formation Mechanism Of Unusual Micron-Sized Rod And Helical Structures, Clarissa Ann Wisner

Doctoral Dissertations

"Pyrolysis at 800 ºC under argon has shown that polyimide (PI), polyacrylonitrile (PAN), polydicyclopentadiene (DCPD) and polybenzoxazine (PBO) aerogels are all viable alternatives to traditional resorcinol-formaldehyde (RF) aerogels as precursors to amorphous carbon aerogels. Subsequent high temperature pyrolysis at 2300 ºC of such carbon aerogels under helium has shown that amorphous carbon from PI and PBO yields the highest degree of graphitization, whereas from RF aerogels yields the lowest.

Those two types of graphite aerogels include also a high concentration of micron-size columnar and helical (screw-like) structures, whose formation is favored by macroporosity and high nitrogen retention in the 800 …


Seismic Anisotropy And Mantle Flow Beneath Africa And Arabia, Ahmed Abdalla Elsheikh Jan 2014

Seismic Anisotropy And Mantle Flow Beneath Africa And Arabia, Ahmed Abdalla Elsheikh

Doctoral Dissertations

"In spite of numerous studies, the mechanisms for the rifting, uplifting, and volcanism on the African plate remain enigmatic. The most popular hypotheses proposed for explaining these tectonic phenomena involve edge-driven small-scale mantle convection and the thermal or dynamic effects of one or more mantle plumes. In this study we use continental scale shear-wave splitting (SWS) measurements to provide additional constraints on the various models of rifting, uplifting, and volcanism of the Cameroon Volcanic Line (CVL) and the Arabian plate. The splitting of P-to-S converted phases at the core-mantle boundary on the receiver side (XKS including PKS, SKKS, and SKS) …


Enhancing Usability Of The Multi-Channel Analysis Of Surface Wave (Masw) Technique For Subsurface Physical Property Mapping By Incorporating Random-Array Seismic Acquisition, Prasanta Malati Yeluru Dec 2013

Enhancing Usability Of The Multi-Channel Analysis Of Surface Wave (Masw) Technique For Subsurface Physical Property Mapping By Incorporating Random-Array Seismic Acquisition, Prasanta Malati Yeluru

Doctoral Dissertations

Subsurface imaging is very critical to exploit subsurface resources, monitor the fluid movement in the reservoir, mapping tunnels etc. As science advances scientists and other researchers are constantly trying to develop new techniques and methods for subsurface imaging that are more effective, efficient, and are more robust under varying field conditions. The main focus of this research is one such effort to improve and increase the usability of the Multi-channel Analysis of Surface Wave method (MASW) method in determining regolith and rock properties by introducing a new type of receiver arrangement to extend its usage in places that are inaccessible …


Analysis, Prototyping, And Design Of An Ionization Profile Monitor For The Spallation Neutron Source Accumulator Ring, Dirk A. Bartkoski Dec 2013

Analysis, Prototyping, And Design Of An Ionization Profile Monitor For The Spallation Neutron Source Accumulator Ring, Dirk A. Bartkoski

Doctoral Dissertations

The Spallation Neutron Source (SNS) located in the Oak Ridge National Laboratory is comprised of a 1 GeV linear H- [H^-] accelerator followed by an accumulator ring that delivers high intensity 1 μs [microsecond] long pulses of 1.5x1014 [1.5x10^14] protons to a liquid mercury target for neutron production by spallation reaction. With its strict 0.01% total beam loss condition, planned power upgrade, and proposed second target station, SNS ring beam-profile diagnostics capable of monitoring evolving beam conditions during high-power conditions are crucial for efficient operation and improvement. By subjecting ionized electrons created during beam interactions with the residual …


Tracking Real-Time Nanoparticle Positions And Measuring Three-Dimensional Solution Flow With A Four-Focus Confocal Microscope, James Andrew Germann Dec 2013

Tracking Real-Time Nanoparticle Positions And Measuring Three-Dimensional Solution Flow With A Four-Focus Confocal Microscope, James Andrew Germann

Doctoral Dissertations

This dissertation presents the development of instrumentation for measuring the position of a single emitter within the sample volume of a confocal fluorescence microscope with sub-diffraction limited precision in three dimensions together with applications for determining solution flow and for tracking a fluorescent nanoparticle as it undergoes Brownian diffusion. The localization method is based on comparing photon counts from alternating excitation of the emitter by four laser beams, which are focused at slightly offset positions in a tetrahedral pattern within the confocal volume. Two experimental set-ups are constructed. In the first, the four beams are from a femtosecond laser, which …


Syntheses And Reactions Of Early Transition Metal Amidinate Compounds, Adam Christopher Lamb Dec 2013

Syntheses And Reactions Of Early Transition Metal Amidinate Compounds, Adam Christopher Lamb

Doctoral Dissertations

Homoleptic Groups 4 and 5 metal amide compounds have been used as precursors in CVD/ALD processes to make microelectronic metal oxide thin films. These compounds are often very air sensitive. Ancillary ligands such as amidinates have been used to reduce their air sensitivity and to make their handling easier. Reactions of amidinates with dioxygen and water have thus been used to make metal oxide thin films. Studies of these reactions are important in order to make better precursors and purer thin films. This dissertation focuses on the following areas: (a) Syntheses of zirconium and Group 5 amidinate amides; (b) Studies …


Numerical Study Of Hubbard Model For Iron-Based Superconductors, Qinlong Luo Dec 2013

Numerical Study Of Hubbard Model For Iron-Based Superconductors, Qinlong Luo

Doctoral Dissertations

This thesis addresses the numerical and analytical study of the iron-based superconductors, mainly using the multi-orbital Hubbard model and Hartree-Fock approximation. The text starts with an introduction to the new iron-based superconductors, followed by a theoretical description of the multi-orbital Hubbard model and Hartree-Fock approximations. The numerical study of the Hubbard model in momentum space is described next, where the phase diagrams for three- and five-orbital Hubbard models are provided. The physically ``realistic" regime of couplings is highlighted, to guide future theoretical work into the proper region of parameters of Hubbard models for iron-based superconductors. What goes next is the …


Species Discrimination, Systematics, And Ontogeny Of Blastoidea, James William Atwood Dec 2013

Species Discrimination, Systematics, And Ontogeny Of Blastoidea, James William Atwood

Doctoral Dissertations

Blastoids are ideal model organisms with which to study evolutionary processes because nearly all of the skeletal elements are shared among all taxa, there have been recent advances in the understanding of blastoid homology, and they are more commonly preserved fully inflated than any other blastozoan. Because of this homology and preservation, blastoids are the perfect candidate for studies involving geometric morphometrics and systematics. But the potential of blastoids to be a model clade has been extremely hampered by the lack of a modern phylogenetics and classification.

The focus of this dissertation is to increase our understanding of blastoid species …


Geologic Investigations In The Central Georgia Inner Piedmont And The Western Flank Of The Carolina Superterrane: Implications Regarding Acadian And Alleghanian Collisional Orogenesis, Fault Reactivation, And The Mesozoic Breakup Of Pangea, Matthew Tiesher Huebner Dec 2013

Geologic Investigations In The Central Georgia Inner Piedmont And The Western Flank Of The Carolina Superterrane: Implications Regarding Acadian And Alleghanian Collisional Orogenesis, Fault Reactivation, And The Mesozoic Breakup Of Pangea, Matthew Tiesher Huebner

Doctoral Dissertations

Detailed geologic mapping, U-Pb geochronology, igneous petrology and whole-rock geochemical analysis, and structural analysis of the Inner Piedmont and Carolina superterrane were conducted to better define the tectonic history of the southern Appalachian orogen; results yield implications for Acadian/Neoacadian and Alleghanian collisional events and Mesozoic breakup of Pangea. Detailed geologic mapping was focused in the Inner Piedmont at the northeastern end of the Pine Mountain window to investigate an aeromagnetic anomaly that was hypothesized to represent the southwestern continuation of the Brindle Creek fault, which separates the Inner Piedmont terranes (Tugaloo and Cat Square). Evidence supports this hypothesis, while contrasting …


A Holographic Model Of Striped Superconductors, Suman Ganguli Dec 2013

A Holographic Model Of Striped Superconductors, Suman Ganguli

Doctoral Dissertations

One of the most prominent distinguishing features in strongly correlated electron systems, such as the high Tc (critical temperature) cuprates and the most recent iron pnictides, is the presence of "competing orders" that are related to the breaking of the lattice symmetries. Does the ubiquitous presence of such inhomogeneous orders in strongly correlated superconductors have a deep connection to superconductivity? The answer to this question is crucial for identifying the mechanism of superconductivity, at least in the cuprates. Amidst serious difficulties within conventional theoretical framework to deal with strongly interacting degrees of freedom at finite density, "AdS/CFT correspondence" or "gauge/gravity …


Design And Synthesis Of Novel Sultams As Non-Nucleoside Inhibitors Of Hiv Reverse Transcriptase, Brian Chadwick Lecroix Dec 2013

Design And Synthesis Of Novel Sultams As Non-Nucleoside Inhibitors Of Hiv Reverse Transcriptase, Brian Chadwick Lecroix

Doctoral Dissertations

The compound 2-methyl-3-phenyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide (NSC 108406) was identified as an HIV-1 reverse transcriptase inhibitor by the National Cancer Institute. Using this lead, the Baker group has developed a series of analogues with various groups at the 3-position that show a spectrum of biological activities. In the end, the substituents used could not compare to the biological activity of the inhibitor efavirenz (Sustiva® [trademark]), and so it was decided to synthesize sultams with alkylethynyl substituents at the 3-position of the sultams in an attempt to mimic the activity of efavirenz.

Previous research analyzed the proposed novel sultams in the modeling …


Synthesis And Characterization Of Fullerene-Based Hydrogen Storage Materials, Patrick Alan Ward Dec 2013

Synthesis And Characterization Of Fullerene-Based Hydrogen Storage Materials, Patrick Alan Ward

Doctoral Dissertations

Storing hydrogen safely and efficiently is an area of great interest for the utilization of hydrogen as an energy carrier in transportation applications. The feasibility of using fullerenes in hydrogen storage materials was investigated. Alkali decorated fullerenes LixC60 [LixC60] and NaxC60 [NaxC60] were found to enhance the hydrogen chemisorption and physisorption properties of fullerenes. Although the overall hydrogen physisorption uptake in these materials is low due to the crystalline nature of the material, the isosteric heats of adsorption of fullerenes were increased by lithium doping. C60 [C60] is also capable of acting as …


Measurement Of The Prompt Double J/Psi Production Cross Section In Pp Collisions At Sqrt(S) = 7 Tev, Andrew David York Dec 2013

Measurement Of The Prompt Double J/Psi Production Cross Section In Pp Collisions At Sqrt(S) = 7 Tev, Andrew David York

Doctoral Dissertations

The simultaneous production of two J/psi mesons has been significantly observed in proton-proton collisions at a center-of-mass energy of 7 TeV with the CMS detector. The two J/psi mesons are fully reconstructed in their decay to muons. The signal yield is extracted with an extended maximum likelihood fit based on four event variables. A method was developed to correct for detector acceptances and efficiencies based on the measured momenta of the J/psi and their decay muons to maintain the least model dependence possible.

The measurement is performed in an acceptance region defined by the individual J/psi transverse momentum and rapidity. …


Bayesian Dictionary Learning For Single And Coupled Feature Spaces, Li He Dec 2013

Bayesian Dictionary Learning For Single And Coupled Feature Spaces, Li He

Doctoral Dissertations

Over-complete bases offer the flexibility to represent much wider range of signals with more elementary basis atoms than signal dimension. The use of over-complete dictionaries for sparse representation has been a new trend recently and has increasingly become recognized as providing high performance for applications such as denoise, image super-resolution, inpaiting, compression, blind source separation and linear unmixing. This dissertation studies the dictionary learning for single or coupled feature spaces and its application in image restoration tasks. A Bayesian strategy using a beta process prior is applied to solve both problems.

Firstly, we illustrate how to generalize the existing beta …


Magneto-Optical Properties Of Complex Oxides, Peng Chen Dec 2013

Magneto-Optical Properties Of Complex Oxides, Peng Chen

Doctoral Dissertations

Complex oxides give rise to rich physics and exotic cross-coupled electronic and magnetic properties. This is because of the competing interaction between charge, structure, and magnetism in the materials. In this dissertation I present a spectroscopic investigation of several model complex oxides under external stimuli of magnetic field and temperature. The compounds of interest include BiFeO3 [bismuth ferrite] nanoparticles and tetragonal film, Bi1-xNdxFeO3 [neodymium doped bismuth ferrite], α-Fe2O3 [hematite], Ni3V2O8 [nickel vanadate], and RIn1-xMnxO3 [manganese doped rare earth indium oxide]. …


Characterization Techniques And Electrolyte Separator Performance Investigation For All Vanadium Redox Flow Battery, Zhijiang Tang Dec 2013

Characterization Techniques And Electrolyte Separator Performance Investigation For All Vanadium Redox Flow Battery, Zhijiang Tang

Doctoral Dissertations

The all-vanadium redox flow battery (VRFB) is an excellent prospect for large scale energy storage in an electricity grid level application. High battery performance has lately been achieved by using a novel cell configuration with advanced materials. However, more work is still required to better understand the reaction kinetics and transport behaviors in the battery to guide battery system optimization and new battery material development. The first part of my work is the characterization of the battery systems with flow-through or flow-by cell configurations. The configuration difference between two cell structures exhibit significantly different polarization behavior. The battery output can …


A Study Of The Optical And Negative Ion Properties Of Selected Chiral Molecules, Jason Michael Lambert Dec 2013

A Study Of The Optical And Negative Ion Properties Of Selected Chiral Molecules, Jason Michael Lambert

Doctoral Dissertations

Chirality is subtle geometric property where objects lack reflection plane symmetry. In this thesis I study three chiral molecules using a combination of experimental and theoretical methods to elucidate the relationships between conformation freedom, solvent choice, and temperature. The importance of nuclear motion when predicting the optical rotation is explored. For carvone, corrections with each nuclear mode coordinate is important. Predictions of the ORD have the incorrect sign without the inclusion of vibrational corrections. For the case of two newly synthesized amino acid derivatives the vibrational corrections did not correct the sign of the calculated ORD to bring it into …