Physical Sciences and Mathematics Commons^™

A Multi-Indexed Logistic Model For Time Series, Xiang Liu

Electronic Theses and Dissertations

In this thesis, we explore a multi-indexed logistic regression (MILR) model, with particular emphasis given to its application to time series. MILR includes simple logistic regression (SLR) as a special case, and the hope is that it will in some instances also produce significantly better results. To motivate the development of MILR, we consider its application to the analysis of both simulated sine wave data and stock data. We looked at well-studied SLR and its application in the analysis of time series data. Using a more sophisticated representation of sequential data, we then detail the implementation of MILR. We compare …

Diazonium 4-(Trifluorovinyloxy) Perfluorobutanesulfonyl Benzenesulfonimide Zwitterionic Monomer Synthesis, Isaac D. Addo

Electronic Theses and Dissertations

3-Diazonium- 4-(trifluorovinyloxy) - perfluorobutanesulfonyl benzenesulfonimide zwitterionic monomer (see figure 1) is proposed to be polymerized and further act as a new electrolyte for Polymer exchange membrane fuel cells (PEMFCs). One reason is that, the aromatic trifluorovinyl aryl ether (TFVE) group can easily be homopolymerized to aromatic perfluorocyclobutane (PFCB) polymer. Furthermore, the diazonium moiety in the monomer is expected to covalently attach the electrolyte to the carbon electrodes support. The perfluoroalkyl(aryl) sulfonimide (PFSI) pendant provides good chemical and mechanical stability as well as better proton conductivity. Several multi-step synthetic schemes are designed to obtain such monomer from perfluoroalkyl(aryl) sulfonimide (PFSI). Among …

Computational Quantum Chemistry Studies Of The Stabilities Of Radical Intermediates Formed During The Oxidation Of Melatonin, Constance E. Warden

Electronic Theses and Dissertations

Melatonin, a nontoxic natural antioxidant, is of interest as a possible spin trap for use in spectroscopic methods to observe and identify short-lived free radicals, which have been linked to oxidative stress that may result in serious health problems. However, the reaction mechanisms for the oxidation of melatonin to form the product N¹-acetyl-N²-formyl-5-methoxykynuramine are still not well understood. Computational quantum chemistry studies have been done on four proposed reaction mechanisms, involving the following major intermediate structures: a dioxetane, an epoxide, a melatonin radical cation, and a spin radical adduct. Molecular geometries were optimized at the …

Comparison Of Two Methods For Developing Aggregate Population-Based Models, Oyebola E. Oyero

Electronic Theses and Dissertations

Aggregate models incorporate the variation between individual parameters of individualbased models to construct a population-based model. This thesis focuses on the comparison of two different methods for creating these population-based models. The first method, the individual parameter distribution technique (IPD) focuses on the similarities and variation of parameters in an individual-based model as calculated using individual data sets [4]. The second method we consider is the nonlinear mixed effect method (NLME), which is primarily used in modeling repeated measurement data. In the NLME approach, both the fixed effects and random effects of the parameter values are estimated in the model …

Prevalence Of And Risk Factors For Adolescent Obesity In Tennessee Using The 2010 Youth Risk Behavior Survey (Yrbs) Data: An Analysis Using Weighted Hierarchical Logistic Regression, Shimin Zheng, Nicole Holt, Jodi L. Southerland, Yan Cao, Trevor Taylor, Deborah L. Slawson, Mark Bloodworth

ETSU Faculty Works

Background: The rate of adolescent overweight and obesity has more than quadrupled over the past few decades, and has become a major public health problem [1]. In 2011, 55% of 12-19 year olds in the United States (U.S.) were overweight or obese [2]. Adolescence is a pivotal time in which many health risk behaviors such as tobacco, alcohol, and drug use are initiated. Such health risk behaviors have been significantly associated with overweight and obesity among adolescents.

Objective: The purpose of this study is to evaluate the relationship between obesity and the health risk behaviors most commonly associated with premature …

"Blinded By The Lines: Mid-Ir Spectra Of Mira Variables Taken With Spitzer", Dana Baylis-Aguirre, Michelle J. Creech-Eakman, Donald G. Luttermoser, Tina Gueth

ETSU Faculty Works

We present preliminary analysis of mid-infrared spectra of M-type and C-type Mira variables. Due to the brightness of this sample, it is straightforward to monitor changes with phase in the infrared spectral features of these regular pulsators. We have spectra of 25 Mira variables, taken with phase, using the Spitzer Infrared Spectrograph (IRS) high-resolution module. Each star has multiple spectra obtained over a one-year period from 2008-09. This is a rich, unique data set due to multiple observations of each star and the high signal-to-noise ratio from quick exposure times to prevent saturation of the IRS instrument. This paper focuses …

Modeling X-Ray Emission Line Profiles From Massive Star Winds - A Review, Richard Igance

ETSU Faculty Works

The Chandra and XMM-Newton X-ray telescopes have led to numerous advances in the study and understanding of astrophysical X-ray sources. Particularly important has been the much increased spectral resolution of modern X-ray instrumentation. Wind-broadened emission lines have been spectroscopically resolved for many massive stars. This contribution reviews approaches to the modeling of X-ray emission line profile shapes from single stars, including smooth winds, winds with clumping, optically thin versus thick lines, and the effect of a radius-dependent photoabsorption coefficient.

Flickering Analysis Of Ch Cygni Using Kepler Data, Thomas Holden Dingus

Undergraduate Honors Theses

Utilizing data from the Kepler Mission, we analyze a flickering phenomenon in the symbiotic variable star CH Cygni. We perform a spline interpolation of an averaged lightcurve and subtract the spline to acquire residual data. This allows us to analyze the deviations that are not caused by the Red Giant’s semi-regular periodic variations. We then histogram the residuals and perform moment calculations for variance, skewness, and kurtosis for the purpose of determining the nature of the flickering. Our analysis has shown that we see a much smaller scale flickering than observed in the previous literature. Our flickering scale is on …

Molecular Docking, Synthesis And Evaluation Of Pyrrolo[2,1-C][1,4]Benzodiazepines Derivatives As Non-Β-Lactam Β-Lactamases Inhibitors, Joseph Osamudiamen Osazee

Electronic Theses and Dissertations

Our research aim was to design, synthesize, and study the competitive enzyme inhibition kinetics of pyrrolo[2,1-c][1,4]benzodiazepine (PBD) derivatives as potential non-²-lactam ²-lactamase inhibitors. All compounds (1-13) passed the Lipinski’s rule of 5 test and were docked into the active site of TEM-1 ²-lactamase. PBD derivatives 1-7 were synthesized in high yields and tested for their potency against TEM-1 and P99 ²-lactamases. Kinetic data showed that compounds 1, 4, 5, and 7 possessed inhibitory activity against TEM-1 ranging from 4-34 %. Docking results revealed significant interactive spanning of the active site of TEM-1 by PBDs. …

Multilevel Models For Longitudinal Data, Aastha Khatiwada

Electronic Theses and Dissertations

Longitudinal data arise when individuals are measured several times during an ob- servation period and thus the data for each individual are not independent. There are several ways of analyzing longitudinal data when different treatments are com- pared. Multilevel models are used to analyze data that are clustered in some way. In this work, multilevel models are used to analyze longitudinal data from a case study. Results from other more commonly used methods are compared to multilevel models. Also, comparison in output between two software, SAS and R, is done. Finally a method consisting of fitting individual models for each …

An Algorithm For The Machine Calculation Of Minimal Paths, Robert Whitinger

Electronic Theses and Dissertations

Problems involving the minimization of functionals date back to antiquity. The mathematics of the calculus of variations has provided a framework for the analytical solution of a limited class of such problems. This paper describes a numerical approximation technique for obtaining machine solutions to minimal path problems. It is shown that this technique is applicable not only to the common case of finding geodesics on parameterized surfaces in R³, but also to the general case of finding minimal functionals on hypersurfaces in Rⁿ associated with an arbitrary metric.

Spatio-Temporal Analysis Of Point Patterns, Abdul-Nasah Soale

Electronic Theses and Dissertations

In this thesis, the basic tools of spatial statistics and time series analysis are applied to the case study of the earthquakes in a certain geographical region and time frame. Then some of the existing methods for joint analysis of time and space are described and applied. Finally, additional research questions about the spatial-temporal distribution of the earthquakes are posed and explored using statistical plots and models. The focus in the last section is in the relationship between number of events per year and maximum magnitude and its effect on how clustered the spatial distribution is and the relationship between …

Newsvendor Models With Monte Carlo Sampling, Ijeoma W. Ekwegh

Electronic Theses and Dissertations

Newsvendor Models with Monte Carlo Sampling by Ijeoma Winifred Ekwegh The newsvendor model is used in solving inventory problems in which demand is random. In this thesis, we will focus on a method of using Monte Carlo sampling to estimate the order quantity that will either maximizes revenue or minimizes cost given that demand is uncertain. Given data, the Monte Carlo approach will be used in sampling data over scenarios and also estimating the probability density function. A bootstrapping process yields an empirical distribution for the order quantity that will maximize the expected profit. Finally, this method will be used …

Tornado Density And Return Periods In The Southeastern United States: Communicating Risk And Vulnerability At The Regional And State Levels, Michelle Bradburn

Electronic Theses and Dissertations

Tornado intensity and impacts vary drastically across space, thus spatial and statistical analyses were used to identify patterns of tornado severity in the Southeastern United States and to assess the vulnerability and estimated recurrence of tornadic activity. Records from the Storm Prediction Center's tornado database (1950-2014) were used to estimate kernel density to identify areas of high and low tornado frequency at both the regional- and state-scales. Return periods (2-year, 5-year, 10-year, 25-year, 50-year, and 100-year) were calculated at both scales as well using a composite score that included EF-scale magnitude, injury counts, and fatality counts. Results showed that the …

Silver-Polymer Nanocomposites, Anita N. Paul

Electronic Theses and Dissertations

The objective of this research was the development of an efficient method for the preparation of silver-polymer nanocomposites containing finely dispersed silver nanoparticles. The surface of nanosilver was functionalized by thiolation with 2-aminoethanethiol. Amino-modified nanosilver was covalently bonded to polyacrylic acid, biodegradable polymers like acid terminated polylactic acid, ester terminated poly(DL-lactide-co-glycolide) and acid terminated poly(DL lactide-co-glycolide) in the presence of diisopropylcarbodiimide by carbodiimide method. Esterification of the carboxyl groups of Ag-polyacrylic acid by hydrochloric acid in methanol resulted in the formation of a stable colloidal dispersion of Ag nanoparticles in the polymer matrix. It was observed that not just acid …

Synthesis And Characterization Of Imidazolo 3,1- Tetrakis (N-Phenylacetamidato) Dirhodium (Ii) And A Crystallographic Study Of A Copper And Two Molybdenum Model Cofactors, Gabriel I.G. Thompson

Electronic Theses and Dissertations

Imidazole was reacted with 3,1-tetrakis (N-phenlyacetamidato) dirhodium (II) to explore the chemistry of asymmetric dirhodium catalysts. The imidazolo 3,1-tetrakis (Nphenlyacetamidato) dirhodium (II) complex was synthesized and then characterized by Nuclear Magnetic Resonance and Ultraviolet-Visible spectroscopies as well as by single crystal X-ray Diffraction. Additionally, one copper and two molybdenum model cofactors were characterized by XRD to better understand their structure/function relationships. NMR results gave evidence of the formation of the 3,1-imidazole complex, and UV-Vis indicated that even in large excess imidazole was coordinated only to one axial site. The structure of the 3,1-imidazole complex was confirmed by XRD with the …

Synthesis, Characterization And Biological Evaluation Of Pyrrolo[2,1-C][1,4]Benzodiazepines For Cytotoxicity And Serine Β-Lactamases Inhibition, Joel K. Annor-Gyamfi

Electronic Theses and Dissertations

Pyrrolo[2,1-c][1,4]benzodiazepine (PBD) derivatives possess cancerostatic and anti-infective properties thus making them candidates of possible antibacterial agents. ²-lactam antibiotics are vital weapons for the treatment of bacterial infections, but their existence and effectiveness has been faced with resistance from ²-lactamases. Therefore, the need for new effective antimicrobial drugs is very crucial. In this work, we synthesized in high yields, PBD analogs 1−3, 5 and 7−9 in three to four synthetic steps from commercially available L-proline and isatoic anhydride. MTT Assay was employed to test the in vitro cytotoxicity of PBD analogs 1, 2, 5 …

Extraction, Purification And Characterization Of An Antibiotic-Like Compound Produced By Rhodococcus Sp. Mtm3w5.2, Pushpavathi Reddyvari Manikindi

Electronic Theses and Dissertations

The bacterium Rhodococcus is a potential source for novel antimicrobial metabolites. Recently, the Rhodococcus strain MTM3W5.2 was isolated from a soil sample collected from Morristown, East Tennessee and was found to produce an inhibitor molecule that is active against similar Rhodococcus species. The aim of this research is to extract, purify, and characterize the active compound. The compound was obtained from both agar and broth cultures of strain MTM3W5.2 and purified by primary fractionation of crude extract on a Sephadex LH-20 column, followed by semi-preparative reversed phase column chromatography. Final purification was achieved using multiple rounds of an analytical C …

Predictors Of Neonatal Abstinence Syndrome In Buprenorphine Exposed Newborn: Can Cord Blood Buprenorphine Metabolite Levels Help?, Darshan Shah, Stacy Brown, Nick Hagemeier, Shimin Zheng, Amy Kyle, Jason Pryor, Nilesh Dankhara, Piyuesh Singh

ETSU Faculty Works

Background

Buprenorphine is a semi-synthetic opioid used for the treatment of opioid dependence. Opioid use, including buprenorphine, has been increasing in recent years, in the general population and in pregnant women. Consequently, there has been a rise in frequency of neonatal abstinence syndrome (NAS), associated with buprenorphine use during pregnancy. The purpose of this study was to investigate correlations between buprenorphine and buprenorphine-metabolite concentrations in cord blood and onset of NAS in buprenorphine exposed newborns.

Methods

Nineteen (19) newborns who met inclusion criteria were followed after birth until discharge in a double-blind non-intervention study, after maternal consent. Cord blood and …

Takens Theorem With Singular Spectrum Analysis Applied To Noisy Time Series, Thomas K. Torku

Electronic Theses and Dissertations

The evolution of big data has led to financial time series becoming increasingly complex, noisy, non-stationary and nonlinear. Takens theorem can be used to analyze and forecast nonlinear time series, but even small amounts of noise can hopelessly corrupt a Takens approach. In contrast, Singular Spectrum Analysis is an excellent tool for both forecasting and noise reduction. Fortunately, it is possible to combine the Takens approach with Singular Spectrum analysis (SSA), and in fact, estimation of key parameters in Takens theorem is performed with Singular Spectrum Analysis. In this thesis, we combine the denoising abilities of SSA with the Takens …

Strategies Of Balancing: Regulation Of Posture As A Complex Phenomenon, Allison Leich Hilbun

Electronic Theses and Dissertations

The complexity of the interface between the muscular system and the nervous system is still elusive. We investigated how the neuromuscular system functions and how it is influenced by various perturbations. Postural stability was selected as the model system, because this system provides complex output, which could indicate underlying mechanisms and feedback loops of the neuromuscular system. We hypothesized that aging, physical pain, and mental and physical perturbations affect balancing strategy, and based on these observations, we constructed a model that simulates many aspects of the neuromuscular system. Our results show that aging changes the control strategy of balancing from …

Description, Taphonomy, And Paleoecology Of The Late Pleistocene Peccaries (Artiodactyla: Tayassuidae) From Bat Cave, Pulaski County, Missouri, Aaron L. Woodruff

Electronic Theses and Dissertations

The late Pleistocene faunal assemblage from Bat Cave, central Ozarks, Missouri provides an opportunity to assess specific aspects of behavior, ecology, and ontogeny of the extinct peccary Platygonus compressus. All identifiable elements referable to this taxon were catalogued and examined, and a minimum number of individuals of 70 was determined for the sample. The presence of distinct, non-overlapping age groups suggests that P. compressus utilized Bat Cave on a seasonal basis. A predator-prey relationship with Canis dirus, the second most abundant vertebrate from the Bat Cave site, is also described in this study. Damage patterns suggest that the …

Facilitating Conceptual Learning In Quantitative Chemistry, Sarah R. Johnson

Electronic Theses and Dissertations

Traditional chemistry laboratory courses have a manual consisting of “step-by-step” experiments; instructions are given to complete experiments, requiring minimal information/concepts processing to be successful. This experience leaves students unprepared for the real-world, where critical thinking skills are needed to conduct research. This study focused on building analytical techniques, conceptual knowledge, and critical thinking skills used to solve research problems. A new quantitative chemistry laboratory manual was developed to transition students from traditional to inquiry-based experiments, requiring analytical method development. Data showed students having less difficulty using the new manual (0.8281 average difficulty) on method development exam questions and experiments, compared …

Neighborhood-Restricted Achromatic Colorings Of Graphs, James D. Chandler Sr.

Electronic Theses and Dissertations

A (closed) neighborhood-restricted 2-achromatic-coloring of a graph G is an assignment of colors to the vertices of G such that no more than two colors are assigned in any closed neighborhood. In other words, for every vertex v in G, the vertex v and its neighbors are in at most two different color classes. The 2-achromatic number is defined as the maximum number of colors in any 2-achromatic-coloring of G. We study the 2-achromatic number. In particular, we improve a known upper bound and characterize the extremal graphs for some other known bounds.

A Physiologically-Based Pharmacokinetic Model For The Antibiotic Levofloxacin, Paezha M. Mccartt

Undergraduate Honors Theses

Levofloxacin is in a class of antibiotics known as fluoroquinolones, which treat infections by killing the bacteria that cause them. A physiologically-based pharmacokinetic (PBPK) model was developed to investigate the uptake, distribution, and elimination of Levofloxacin after a single dose. PBPK modeling uses parameters such as body weight, blood flow rates, partition coefficients, organ volumes, and several other parameters in order to model the distribution of a particular drug throughout the body. Levofloxacin is only moderately bound in human blood plasma, and, thus, for the purposes of this paper, linear bonding is incorporated into the model because the free or …

Star Formation In Ring Galaxies, Susan C. Olmsted

Undergraduate Honors Theses

Ring galaxies are specific types of interacting galaxies in which a smaller galaxy has passed through the center of the disk of another larger galaxy. The intrusion of the smaller galaxy causes the structure of the larger galaxy to compress as the smaller galaxy falls through, and to recoil back after the smaller galaxy passes through, hence the ring-like shape. In our research, we studied the star-forming regions of a sample of ring galaxies and compared to those of other interacting galaxies and normal galaxies. Using UV, optical, and IR archived images in twelve wavelengths from three telescopes, we analyzed …

Extracting (1,3/1,6)-Β-Glucans From Saccharomyces Cerevisiae: A Fungal Immunotherapeutic, James C. Elliott

Undergraduate Honors Theses

The goal of this research was the development of a method to extract pure (1,3/1,6)-β-glucans from Saccharomyces cerevisiae. These β-glucans are of pharmaceutical importance because an animal’s immune system can recognize glucan molecules, and these molecules can act as immunomodulators, essentially turning on the immune system. The problem in the past has been that previously published methods produce β-glucans with low side chain lengths and few branching occurrences. This issue was tackled by a multivariable approach that reduced extraction steps, initial sample size, and concentrations of reagents used. This method has been shown to produce greater yields of β-glucans while …

Synthesis Of Diazonium (Perfluoroalkyl) Arylsulfonimide Monomers From Perfluoro (3-Oxapent-4-Ene) Sulfonyl Fluoride For Proton Exchange Membrane Fuel Cell, Faisal Ibrahim

Electronic Theses and Dissertations

Two diazonium perfluoroalkyl arylsulfonimide (PFSI) zwitterionic monomers, 4-diazonium perfluoro(3-oxapent-4-ene)benzenesulfonimide (I) and 4-(trifluoromethyl)-2-diazonium perfluoro(3-oxapent-4-ene)benzenesulfonimide (II) have been synthesized from perfluoro(3-oxapent-4-ene) sulfonyl fluoride (POPF) for proton exchange membrane fuel cells. PFSI polymers are proposed as new electrolytes due to their better thermal stability, inertness to electrochemical conditions, and lower susceptibility to oxidative degradation and dehydration. For a better integration between the electrode and the electrolyte, the PFSI polymers are expected to be grafted onto the carbon electrode via the diazonium moiety.

All the reaction intermediates and the final product were characterized with 1H NMR, 19F NMR and IR …

Synthesis Of Two Monomers For Proton Exchange Membrane Fuel Cells (Pemfcs), Abdulmajeed A. Alayyaf

Electronic Theses and Dissertations

The overall goal of this research is to synthesize two different monomers for proton exchange membrane (PEM) Fuel Cells. Such monomers are proposed to be polymerized to improve the efficiency and compatibility of electrodes and electrolytes in PEM fuel cells.

The first target is to synthesize 4-diazonium-3-fluoro PFSI zwitterionic monomer. Three steps were carried out in the lab. First one was the ammonolysis of 3-fluoro-4-nitrobenzenesulfonyl chloride. Second reaction was the bromination of Nafion monomer. The next coupling reaction, between brominated Nafion monomer and the 3-fluoro-4-nitrobenzenesulfonamide, was failed. The obstacles involve the harsh reaction condition and troublesome purification procedure.

The second …

Global Supply Sets In Graphs, Christian G. Moore

Electronic Theses and Dissertations

For a graph G=(V,E), a set S⊆V is a global supply set if every vertex v∈V\S has at least one neighbor, say u, in S such that u has at least as many neighbors in S as v has in V \S. The global supply number is the minimum cardinality of a global supply set, denoted γgs (G). We introduce global supply sets and determine the global supply number for selected families of graphs. Also, we give bounds on the global supply number for general graphs, trees, and grid graphs.