Physical Sciences and Mathematics Commons^™

Generalized Singular Value Decomposition With Additive Components, Stan Lipovetsky

Journal of Modern Applied Statistical Methods

The singular value decomposition (SVD) technique is extended to incorporate the additive components for approximation of a rectangular matrix by the outer products of vectors. While dual vectors of the regular SVD can be expressed one via linear transformation of the other, the modified SVD corresponds to the general linear transformation with the additive part. The method obtained can be related to the family of principal component and correspondence analyses, and can be reduced to an eigenproblem of a specific transformation of a data matrix. This technique is applied to constructing dual eigenvectors for data visualizing in a two dimensional …

Almost Unbiased Estimator Using Known Value Of Population Parameter(S) In Sample Surveys, Rajesh Singh, S.B. Gupta, Sachin Malik

Journal of Modern Applied Statistical Methods

An almost unbiased estimator using known value of some population parameter(s) is proposed. A class of estimators is defined which includes Singh and Solanki (2012) and Sahai and Ray (1980), Sisodiya and Dwivedi (1981), Singh, Cauhan, Sawan, and Smarandache (2007), Upadhyaya and Singh (1984), Singh and Tailor (2003) estimators. Under simple random sampling without replacement (SRSWOR) scheme the expressions for bias and mean square error (MSE) are derived. Numerical illustrations are given.

A Comparison Of Estimation Methods For Nonlinear Mixed-Effects Models Under Model Misspecification And Data Sparseness: A Simulation Study, Jeffrey R. Harring, Junhui Liu

Journal of Modern Applied Statistical Methods

A Monte Carlo simulation is employed to investigate the performance of five estimation methods of nonlinear mixed effects models in terms of parameter recovery and efficiency of both regression coefficients and variance/covariance parameters under varying levels of data sparseness and model misspecification.

Variable Selection In Regression Using Multilayer Feedforward Network, Tejaswi S. Kamble, Dattatraya N. Kashid

Journal of Modern Applied Statistical Methods

The selection of relevant variables in the model is one of the important problems in regression analysis. Recently, a few methods were developed based on a model free approach. A multilayer feedforward neural network model was proposed for developing variable selection in regression. A simulation study and real data were used for evaluating the performance of proposed method in the presence of outliers, and multicollinearity.

Jmasm39: Algorithm For Combining Robust And Bootstrap In Multiple Linear Model Regression (Sas), Wan Muhamad Amir, Mohamad Shafiq, Hanafi A.Rahim, Puspa Liza, Azlida Aleng, Zailani Abdullah

Journal of Modern Applied Statistical Methods

The aim of bootstrapping is to approximate the sampling distribution of some estimator. An algorithm for combining method is given in SAS, along with applications and visualizations.

Jmasm35: A Percentile-Based Power Method: Simulating Multivariate Non-Normal Continuous Distributions (Sas), Jennifer Koran, Todd C. Headrick

Journal of Modern Applied Statistical Methods

The conventional power method transformation is a moment-matching technique that simulates non-normal distributions with controlled measures of skew and kurtosis. The percentile-based power method is an alternative that uses the percentiles of a distribution in lieu of moments. This article presents a SAS/IML macro that implements the percentile-based power method.

Characterization Of Α‑Synuclein Multimer Stoichiometry In Complex Biological Samples By Electrophoresis, Bryan A. Killinger, Anna Moszczynska

Pharmaceutical Sciences Faculty Publications

The aberrant aggregation of α-synuclein in the brain is a hallmark of Parkinson’s disease (PD). In vivo soluble α-synuclein occurs as a monomer and several multimers, the latter of which may be important for the biological function of α-synuclein. Currently, there is a lack of reproducible methods to compare α-synuclein multimer abundance between complex biological samples. Here we developed a method, termed “multimer-PAGE,” that combines in-gel chemical cross-linking with several common electrophoretic techniques to measure the stoichiometry of soluble α-synuclein multimers in brain tissue lysates. Results show that soluble α-synuclein from the rat brain exists as several high molecular weight …

A Counterexample For Lightning Flash Modules Over E(E1,E2), David Benson, Robert R. Bruner

Mathematics Faculty Research Publications

We give a counterexample to Theorem 5 in Section 18.2 of Margolis’ book, “Spectra and the Steenrod Algebra” and make remarks about the proofs of some later theorems in the book that depend on it. The counterexample is a module which does not split as a sum of lightning flash modules and free modules.

Optimization Of Transition-Metal Dichalcogenides Based Field- Effect- Transistors Via Contact Engineering, Meeghage Madusanka Perera

Wayne State University Dissertations

ABSTRACT

Optimization of Transition-Metal Dichalcogenides based Field- Effect-Transistors via contact engineering

by

Meeghage M Perera

September , 2016

Advisor : Dr. Zhixian Zhou

Major: Physics (Condensed mater physics/nano-electronics)

Degree: Doctor of Philosophy

Layered transition Metal Dichalcogenides (TMDs) have demonstrated a wide range of remarkable properties for applications in next generation nano-electronics. These systems have displayed many “graphene-like” properties including a relatively high carrier mobility, mechanical flexibility, chemical and thermal stability, and moreover offer the significant advantage of a substantial band gap. However, the fabrication of high performance field-effect transistors (FETs) of TMDs is challenging mainly due to the formation of …

New Approaches To Chalcogenide Materials For Thermoelectrics: Lead Telluride-Based Nanostructures And Facile Synthesis Of Tetrahedrite And Doped Derivatives, Derak Justin James

Wayne State University Dissertations

The overall purpose of this work is to address several of the roadblocks to use of thermoelectric materials for generation of electricity, namely inefficient processing of materials and low performance, commonly rated by the figure of merit, ZT=T2/tot. The ZT includes  as the Seebeck coefficient,  as electrical resistivity, T as the average temperature, and tot as total thermal conductivity. tot is the sum of electronic charge carrier (C) and lattice (L) contributions to thermal conductivity. Attempts to increase ZT in the literature to values >1 have focused on decreasing the thermal conductivity via nanostructuring or optimizing the electrical …

Use Of 17o-Nmr Spectroscopy To Study The Coordination Chemistry Of Trivalent Lanthanide Ions In Solution, Zhijin Lin

Wayne State University Dissertations

Trivalent lanthanide (Ln3+)-containing complexes have a number of important applications in molecular imaging, catalysis, medical diagnosis, information storage, and environmental sensing. The properties of Ln3+-containing complexes that are useful for these applications are influenced by coordination chemistry, including the number of coordinated ligands and ligand-exchange rates. The coordination numbers for water molecules bound to Eu3+ and Tb3+ have been studied by luminescence-decay measurements; however, the coordination numbers of other important oxygen-containing functional groups such as ketones, esters, ethers, sulfonyls, amides, phosphine oxides, and aldehydes have not been as thoroughly studied in solution because of the lack of hydroxyl groups that …

Studying The Atp Cosubstrate Promiscuity Of Nucleotide And Lipid Kinases, Thilani Murium Anthony

Wayne State University Dissertations

The kinase family consist of a large assortment of enzymes that phosphorylate a variety of substrates, including proteins, nucleosides, polynucleotides, lipids, sugars, and other small molecules. The Pflum lab recently found that protein kinases promiscuously accept an ATP analog containing a biotin at the γ-phosphate (ATP-biotin) as a cosubstrate to label the hydroxyl side chains of Ser, Thr and Tyr residues with biotin. The main goal of this new project is to extend the use of kinase-catalyzed biotinylation towards polynucleotides. Crystallographic studies of T4 polynucleotide kinase (T4 PNK) that phosphorylates the 5’-hydroxyl termini of DNA and RNA show a solvent …

Optimal Control Of A Perturbed Sweeping Process With Applications To The Crowd Motion Model, Tan Hoang Cao

Wayne State University Dissertations

The dissertation is devoted to the study and applications of a new class of optimal control problems governed by a perturbed sweeping process of the hysteresis type with control functions acting in both play-and-stop operator and additive perturbations. Such control problems can be reduced to optimization of discontinuous and unbounded dif- ferential inclusions with pointwise state constraints, which are immensely challenging in control theory and prevent employing conventional variation techniques to derive neces- sary optimality conditions. We develop the method of discrete approximations married with appropriate generalized differential tools of modern variational analysis to overcome principal difficulties in passing to …

Principal Component Analysis-Based Anatomical Motion Models For Use In Adaptive Radiation Therapy Of Head And Neck Cancer Patients, Mikhail Aleksandrovich Chetvertkov

Wayne State University Dissertations

Purpose: To develop standard and regularized principal component analysis (PCA) models of anatomical changes from daily cone beam CTs (CBCTs) of head and neck (H&N) patients, assess their potential use in adaptive radiation therapy (ART), and to extract quantitative information for treatment response assessment.

Methods: Planning CT (pCT) images of H&N patients were artificially deformed to create “digital phantom” images, which modeled systematic anatomical changes during Radiation Therapy (RT). Artificial deformations closely mirrored patients’ actual deformations, and were interpolated to generate 35 synthetic CBCTs, representing evolving anatomy over 35 fractions. Deformation vector fields (DVFs) were acquired between pCT and synthetic …

State Resolved Sliced Imaging Of Infrared Multiphoton Dissociation, Ravin Lakshitha Fernando

Wayne State University Dissertations

This dissertation focuses on unimolecular dissociations of molecules under colissionless conditions with IRMPD. IRMPD was used as the dissociation technique in these studies since roaming type dissociations predominates from the ground electronic state. DC slice imaging was used with REMPI as the detection technique to study the products in a state selective manner to understand the nano scale dynamics of unimolecular dissociations. In the investigation of photodissociation dynamics of nitromethane and methyl nitrite with IRMPD, nitromethane show very low translational energy release of the photofragments and resemble the “roaming” pathway in the dissociation of nitromethane. The difference in the intensities …

Synthesis Of Dinucleating Ligands And Their Dinuclear Metal Complxes:Applications In Sensing And Small Molecule Activation, Jeffrey William Beattie

Wayne State University Dissertations

Dinuclear metal complexes provide a route to interesting structure and reactivity. Two common uses of dinuclear metal complexes are sensing and activation of small molecules. Herein we describe a series of dinuclear metal complexes capable of sensing of oxalate and activation of carbon disulfide.

Sensing of oxalate is of great interest because high oxalate concentration (hypooxaluria) is a major cause of kidney stones. Dinuclear metal complexes can act as sensors for oxalate because the oxalate can bridge between the metal centers. Herein we describe a colorimetric oxalate sensor capable of regeneration. Upon addition of oxalate to a pink solution of …

Development Of Gamma-Modified Atp Analogs To Study Kinase-Catalyzed Phosphorylations, Ahmed Eid Fouda

Wayne State University Dissertations

Kinase-catalyzed protein phosphorylation is one of the most important post-translational modifications that controls cascades of biochemical reactions. Irregularities in phosphorylation result in many diseases, such as diabetes mellitus, Parkinsons, and cancer. The development of new methods to monitor kinase-catalyzed phosphorylation is needed to decipher details of normal and diseased cell signaling. The Pflum lab recently developed several -modified ATP analogs to study kinase catalyzed phosphorylation reactions. The -modified ATP analogs have different tags, such as biotin for substrate labeling or aryl-azide for kinase substrates identification. Unfortunately, use of -modified ATP analogs was limited to in vitro studies due to the …

Some New Combinatorial Formulas For Cluster Monomials Of Type A Quivers, Ba Nguyen

Wayne State University Dissertations

Lots of research focuses on the combinatorics behind various bases of cluster

algebras. This thesis studies the natural basis of a type A cluster algebra, which consists of all cluster monomials. We introduce a new kind of combinatorial formulas for the cluster monomials in terms of globally compatible collections and broken lines. We give bijective proofs of these formulas by comparing with the well-known combinatorial models of the T-paths and of the perfect matchings in a snake diagram.

Ergodicity Of Stochastic Switching Diffusions And Stochastic Delay Systems, Hongwei Mei

Wayne State University Dissertations

This dissertation contains two main parts. The first part focuses on numerical algorithms for approximating the ergodic means of suitable functions of solutions to stochastic differential equations with Markov regime switching. Our main effort is devoted to obtaining the convergence and rates of convergence of the approximation algorithms. The study is carried out by obtaining laws of large numbers and laws of iterated logarithms for numerical approximation to long-run averages of suitable functions of solutions to switching diffusions.

The second part is devoted to stochastic functional differential equations (SFDEs) with infinite delay. This part consists of two main themes. First, …

Synthesis Of Apramycin And Paromomycin Derivatives As Potential Next Generation Aminoglycoside Antibiotics And Chemistry Of Isothiocyanato Sialyl Donors, Appi Reddy Mandhapati

Wayne State University Dissertations

AGAs are clinically important antibacterials for human therapy and have long been used as highly potent antibiotics for treating several bacterial infections. The fidelity of protein synthesis is affected by AGAs in the course of binding to specific sites of the bacterial rRNA. The clinical use of AGAs and their applications as therapeutics is restricted by toxicity (irreversible ototoxicity and reversible nephrotoxicity) and by the resistance of pathogens. The objective of this research was the development of proficient AGAs that are less toxic (i.e., more selective) and that evade resistance. The first three chapters of this thesis are aimed towards …

Nano-Structured Electrocatalysts For High Performance Lithium Sulfur Batteries, Negar Mosavati

Wayne State University Dissertations

Ni nanoparticles has been investigated as a carbon-free cathode material for dissolved polysulfide Li-S battery. A series of Ni nanoparticles with nominal particle size of 20, 40, and 100 nm have been used as electrocatalysts, and the effect of particle size on Li-S battery performance has been investigated. In addition, graphene has been chosen as a support to anchor the Ni nanoparticles, and the synergetic effect of carbon material and Ni nanoparticles on Li-S battery electrochemical performance has been studied. The results indicated there is a strong particle size effect. Ni/graphene electrode exhibits a capacity of 753 mAh g-1 sulfur …

Fe3o4 Nanoparticles For Magnetic Hyperthermia And Drug Delivery: Synthesis, Characterization And Cellular Studies, Maheshika Palihawadana Arachchige

Wayne State University Dissertations

In recent years, magnetic nanoparticles (MNPs), especially superparamagnetic Fe3O4nanoparticles, have attracted a great deal of attention because of their potential applications in biomedicine. Among the other applications, Magnetic hyperthermia (MHT), where localized heating is generated by means of relaxation processes in MNPs when subjected to a radio frequency magnetic field, has a great potential as a non-invasive cancer therapy treatment. Specific absorption rate (SAR), which measures the efficiency of heat generation, depends on magnetic properties of the particles such as saturation magnetization (Ms), magnetic anisotropy (K), particle size distribution, magnetic dipolar interactions, and the rheological properties of the target medium.We …

How Geometric Distortions Scatter Electronic Excitations In Conjugated Macromolecules: Towards Photoinduced Relaxation And Energy Transfer, Tian Shi

Wayne State University Dissertations

The exciton scattering (ES) approach has been developed to study electronic excitations in large branched conjugated molecules. It attributes excited states to standing waves in the quasi-one-dimensional system by assuming a quasi-particle picture of optical excitations. Tight binding models extend capability of the ES approach to investigate the exciton-phonon coupling.

The topological counting method plays a substantial role in constructing tight binding models. It depicts the ES equations as a topological intersection problem. Then, by applying the index theorem, we can get the total number of excited states, which is equal to the number of repeat units plus topological charges …

Electronic Transport In Two-Dimensional Systems In The Quantum Hall Regime, Vinicio Tarquini

Wayne State University Dissertations

The integer and the fractional quantum Hall effects are essential to the exploration of quantum matters characterized by topological phases. A quantum Hall system hosts one-dimensional (1D) chiral edge channels that manifest zero magnetoresistance, dissipationless due to the broken time reversal symmetry, and quantized Hall resistance v h e^2 with v being the topological invariant (or Chern number). The 1-1 correspondence between the conducting gapless edge channels to the gapped incompressible bulk states is a defining character of a topological insulator (TI). Understanding this correspondence in real systems, especially the origin of its robustness (in terms of the limit of …

Novel Approaches For Assessment Of Copper Toxicity: Fast Scan Cyclic Voltammetry And Optical Bioassays, Annette R. Tremonti

Wayne State University Dissertations

Anthropogenic activities negatively impact fresh water ecosystems through toxic contaminants that are released into the environment. Copper (Cu) is a water contaminant that is fundamentally persistent once introduced into the environment that has the potential for bioaccumulation. Although Cu toxicity has been studied for decades, there is still a continuing problem with new sources and pathways. New approaches are needed to understand distribution and transport of Cu and its potential for complex biological impacts beyond the simple assessment of lethality. Several novel approaches were used in this research project to advance our understanding of Cu toxicity, including fast scan cyclic …

Novel Design And Synthesis Of Structured Iron Oxides For Battery Applications, Jian Zhu

Wayne State University Dissertations

Lithium-ion batteries (LIBs) are currently the dominant powder source for personal computers and portable electronics. LIBs also play important roles in larger-scale applications, including electric drive vehicles (EVs, HEVs) and grid-energy storage. To meet the increasing demand for energy storage, it is very urgent and crucial to develop next-generation LIBs using alternative electrode materials. For example, carbon is still exclusively used as anode materials in current LIBs. However, the theoretical capacity of graphite (372 mA h g–1 based on LiC6) has almost been achieved, and it becomes one of the bottlenecks to further increase the energy density of LIBs based …

A Novel, Ultra-Fast Electrochemical Tool To Study Speciation Of Trace Metals In Aqueous Solution, Pavithra Pathirathna

Wayne State University Dissertations

Trace metals play important roles in biological and ecological systems. In biology, trace metals act as catalytic or structural cofactors and regulate biochemical processes. In the environment, natural and anthropogenic sources of trace metals mobilized into natural waters where they can create harmful and persistent pollution. Trace metal chemistry in physiological and environmental systems can fluctuate rapidly which makes it difficult to clearly define trace metals’ roles in these systems with traditional analytical methods. Furthermore, these systems are often chemically harsh and physically delicate (e.g. the brain), factors that add to the challenge of analysis in real systems. Fast scan …

Force Field Development With Gomc A Fast New Monte Carlo Molecular Simulation Code, Jason Richard Mick

Wayne State University Dissertations

In this work GOMC (GPU Optimized Monte Carlo) a new fast, flexible, and free molecular Monte Carlo code for the simulation atomistic chemical systems is presented. The results of a large Lennard-Jonesium simulation in the Gibbs ensemble is presented. Force fields developed using the code are also presented. To fit the models a quantitative fitting process is outlined using a scoring function and heat maps. The presented n-6 force fields include force fields for noble gases and branched alkanes. These force fields are shown to be the most accurate LJ or n-6 force fields to date for these compounds, capable …

The Development Of Peptide Ligands To Target H69 Rrna, Danielle Nicole Dremann

Wayne State University Dissertations

ABSTRACT

THE DEVELOPMENT OF PEPTIDE LIGANDS TO TARGET H69

by

DANIELLE NICOLE DREMANN

December 2015

Advisor: Prof. Christine S. Chow

Major: Chemistry (Biochemistry)

Degree: Doctor of Philosophy

In the development of peptide ligands to target H69, SPPS and ESI MS was used to determine if 1) peptides could bind to modified H69 and 2) if increased affinity for the target RNA could be enhanced with modification. An alanine and arginine scan was synthesized and tested for this determination. Selected peptides were then tested using biophysical techniques such as circular dichroism and isothermal titration calorimetry. An assay was also designed to …

Estimating Effects Of Non-Normality In Assessing Structural Equation Model Fit For Use Of Physical Science Data, Sarah Rose

Wayne State University Dissertations

ABSTRACT

ESTIMATING EFFECTS OF NON-NORMALITY IN ASSESSING

STRUCTURAL EQUATION MODEL FIT FOR USE OF PHYSICAL SCIENCE DATA

by

SARAH ALTA ROSE

May 2016

Advisor: Dr. Barry Markman

Major: Education (Evaluation and Research)

Degree: Doctor of Philosophy

The purpose of this study was to evaluate the sensitivity of selected fit index statistics in determining model fit when the distribution varied from normality, as is typically true of data research for the physical sciences. SEM is a popular statistical method and is used in many physical and social behavioral science research projects; however, the sensitivity of the model fit indices when normality …