Physical Sciences and Mathematics Commons^™

Estimating The Strength Of An Association Based On A Robust Smoother, Rand Wilcox

Journal of Modern Applied Statistical Methods

It is known that the more obvious parametric approaches to fitting a regression line to data are often not flexible enough to provide an adequate approximation of the true regression line. Many nonparametric regression estimators, often called smoothers, have been derived that are aimed at dealing with this problem. The paper deals with the issue of estimating the strength of an association based on the fit obtained by a robust smoother. A simple approach, already known, is to estimate explanatory power in a fairly obvious manner. This approach has been found to perform reasonably well when using the smoother LOESS. …

Per Family Or Familywise Type I Error Control: "Eether, Eyether, Neether, Nyther, Let's Call The Whole Thing Off!", H. J. Keselman

Journal of Modern Applied Statistical Methods

Frane (2015) pointed out the difference between per-family and familywise Type I error control and how different multiple comparison procedures control one method but not necessarily the other. He then went on to demonstrate in the context of a two group multivariate design containing different numbers of dependent variables and correlations between variables how the per-family rate inflates beyond the level of significance. In this article I reintroduce other newer better methods of Type I error control. These newer methods provide more power to detect effects than the per-family and familywise techniques of control yet maintain the overall rate of …

Comparison Of Bayesian Credible Intervals To Frequentist Confidence Intervals, Kathy Gray, Brittany Hampton, Tony Silveti-Falls, Allison Mcconnell, Casey Bausell

Journal of Modern Applied Statistical Methods

Frequentist confidence intervals were compared with Bayesian credible intervals under a variety of scenarios to determine when Bayesian credible intervals outperform frequentist confidence intervals. Results indicated that Bayesian interval estimation frequently produces results with precision greater than or equal to the frequentist method.

Special Education Distributions And Analysis, Valerie Felder, Shlomo S. Sawilowsky

Journal of Modern Applied Statistical Methods

Micceri (1989) examined the distributional characteristics of 440 large sample general education achievement and psychometric measures. All the distributions were found to be statistically significantly different from the normal distribution. In this study, 395 special education datasets were examined. Although there were some normally distributed datasets, most were not, and some were markedly different in shape from those found by Micceri (1989). Implications for statistical testing and making special education policy decisions were given.

Vol. 14, No. 1 (Full Issue), Jmasm Editors

Journal of Modern Applied Statistical Methods

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A Comparison Of Semi-Parametric And Nonparametric Methods For Estimating Mean Time To Event For Randomly Left Censored Data, Farzana Chowdhury, Jahida Gulshan, Syed Shahadat Hossain

Journal of Modern Applied Statistical Methods

The aim of this study was to make a comparison among existing estimation methods (Kaplan-Meier, Nelson-Aalen and Regression on Ordered Statistics (ROS)) for randomly left censored time to event data under selected distributions and for different level of censoring and sample sizes in order to determine the strength of these methods based on simulated data. Comparisons among the methods are made on the basis of unbiasedness and Monte Carlo Standard Error of the summary statistics (mean time to event) obtained by those methods under different conditions.

On The Mechanism Of Rna Phosphodiester Backbone Cleavage In The Absence Of Solvent, Christian Riml, Heidelinde Glasner, M T. Rodgers, Ronald Micura, Kathrin Breuker

Chemistry Faculty Research Publications

Ribonucleic acid (RNA) modifications play an important role in the regulation of gene expression and the development of RNA-based therapeutics, but their identification, localization and relative quantitation by conventional biochemical methods can be quite challenging. As a promising alternative, mass spectrometry (MS) based approaches that involve RNA dissociation in ‘top-down’ strategies are currently being developed. For this purpose, it is essential to understand the dissociation mechanisms of unmodified and posttranscriptionally or synthetically modified RNA. Here, we have studied the effect of select nucleobase, ribose and backbone modifications on phosphodiester bond cleavage in collisionally activated dissociation (CAD) of positively and negatively …

Temporal Variations Of Atmospheric Depositional Fluxes Of 7be And 210pb Over 8 Years (2006–2013) At Shanghai, China, And Synthesis Of Global Fallout Data, Juan Du, Jinzhou Du, Mark Baskaran, Qianqian Bi, Dekun Huang, Yifei Jiang

Environmental Science and Geology Faculty Research Publications

7Be and 210Pb, two atmospherically delivered radionuclides, have been broadly applied to study the processes including air mass transport, soil erosion, and particle cycling in aqueous systems. These studies require temporal variations of their depositional fluxes. In the present work, monthly atmospheric bulk depositional fluxes of 7Be and 210Pb were measured over 8 years (December 2005 to December 2013) at Shanghai, China. The bulk depositional fluxes of 7Be and 210Pb varied from 17.9 to 421 Bq m−2 month−1 and 6.8 to 82.1 Bq m−2 month−1, respectively. The volume‐weighted activities ranged from 0.20 to 8.06 Bq L−1 for 7Be and 0.05 …

Critical Zone Services: Expanding Context, Constraints, And Currency Beyond Ecosystem Services, Jason P. Field, David D. Breshears, Darin J. Law, Juan C. Villegas, Laura López-Hoffman, Paul D. Brooks, Jon Chorover, Greg A. Barron-Gafford, Rachel E. Gallery, Marcy E. Litvak, Rebecca A. Lybrand, Jennifer C. Mcintosh, Thomas Meixner, Guo-Yue Niu, Shirley A. Papuga, Jon D. Pelletier, Craig R. Rasmussen, Peter A. Troch

Environmental Science and Geology Faculty Research Publications

Processes within the critical zone—spanning groundwater to the top of the vegetation canopy—have important societal relevance and operate over broad spatial and temporal scales that often are not included in existing frameworks for ecosystem services evaluation. Here we expand the scope of ecosystem services by specifying how critical zone processes extend context both spatially and temporally, determine constraints that limit provision of services, and offer a potentially powerful currency for evaluation. Context: A critical zone perspective extends the context of ecosystem services by expressly addressing how the physical structure of the terrestrial Earth surface (e.g., parent material, topography, and orography) …

Synthesis And Biological Evaluation Of Nitrile-Based Inhibitors Of Cysteine Proteases Caged With Ruthenium Complexes, Rajgopal Sharma

Wayne State University Dissertations

Light activated compounds can be used as tools for understanding and solving numerous biological problems. This dissertation focuses on developing ruthenium-based photocages for caging nitrile-based cysteine protease inhibitors. Four research areas pertaining to this dissertation, i) metals in medicine, ii) photocages in biological applications, iii) photodynamic therapy and iv) cysteine cathepsin proteases were briefly surveyed in the introductory chapter. Next, RuII(bpy)2 group was utilized for synthesizing nitrile-based caged CTSK and CTSB inhibitors. Light activated release of inhibitors, followed by toxicity and stability data were studied. Cathepsin enzyme activity inhibition in 2D and 3D assays were established. This work showcased the …

Frequency Domain Ultrasound Waveform Tomography Breast Imaging, Gursharan Singh Sandhu

Wayne State University Dissertations

Ultrasound tomography is an emerging modality for imaging breast tissue for the detection of disease. Using the principles of full waveform inversion, high-resolution quantitative sound speed and attenuation maps of the breast can be created. In this thesis, we introduce some basic principles of imaging breast disease and the formalism of sound wave propagation. We present numerical methods to model acoustic wave propagation as well methods to solve the corresponding inverse problem. Numerical simulations of sound speed and attenuation reconstructions are used to assess the efficacy of the algorithm. A careful review of the preprocessing techniques needed for the successful …

On The Nature Of Excited States In Ruthenium Complexes: Towards Renewable Energy, Ryan A. Thomas

Wayne State University Dissertations

The 77 K radiative properties (spectra, quantum yields and lifetimes) of ruthenium-polypyridyl complexes are investigated to better understand the effects of electronic mixing on metal-to-ligand-charge-transfer (3MLCT) excited state properties and how metal-centered (3MC) excited states affect the properties of potential ruthenium photosensitizers.The radiative rate of relaxation (kRAD) determines the maximum possible excited state lifetime when all other relaxation pathways are blocked (kn = 0 for all n  RAD). Thus, the excited state will relax only by means of an emission characteristic of the polypyridyl chromophore. kRAD is expected to increase as the excited state energy increases while the value …

Recovery Techniques For Finite Element Methods And Their Applications, Hailong Guo

Wayne State University Dissertations

Recovery techniques are important post-processing methods to obtain improved approximate solutions from primary data with reasonable cost. The practical us- age of recovery techniques is not only to improve the quality of approximation, but also to provide an asymptotically exact posteriori error estimators for adaptive meth- ods. This dissertation presents recovery techniques for nonconforming finite element methods and high order derivative as well as applications of gradient recovery.

Our first target is to develop a systematic gradient recovery technique for Crouzeix- Raviart element. The proposed method uses finite element solution to build a better approximation of the exact gradient based …

Dynamics Of Biopolymers On Nanomaterials Studied By Quasielastic Neutron Scattering And Mdsimulations, Gurpreet Dhindsa

Wayne State University Dissertations

Neutron scattering has been proved to be a powerful tool to study the dynamics of biological systems under various conditions. This thesis intends to utilize neutron scattering techniques, combining with MD simulations, to develop fundamental understanding of several biologically interesting systems. Our systems include a drug delivery system containing Nanodiamonds with nucleic acid (RNA), and two specific model proteins, β-Casein and Inorganic Pyrophosphatase (IPPase).

RNA and nanodiamond (ND) both are suitable for drug-delivery applications in nano-biotechnology. The architecturally flexible RNA with catalytic functionality forms nanocomposites that can treat life-threatening diseases. The non-toxic ND has excellent mechanical and optical properties and …

Development Of New Algorithms For Exploring The Potential Energy Landscape Of Chemical Reactions, Adam Benjamin Birkholz

Wayne State University Dissertations

The research presented in this dissertation is divided into 5 chapters. In Chapter 2, a method for reducing the number of coordinates required to accurately reproduce a known chemical reaction pathway by applying principal component analysis to a number of geometries along the pathway (expressed in either Cartesian coordinates or redundant internal coordinates) is described and applied to 9 example reactions. Chapter 3 introduces new methods for estimating the structure of and optimizing transition states by utilizing information about the atomic bonding in the reactants and products. These methods are then benchmarked against a standard transition state optimization approach utilizing …

Noncovalent Interactions Between Alkali Metal Cation And Aza/Thia-Crown Macrocycles: Mass Spectrometric Techniques And Theoretical Studies, Calvin A. Austin

Wayne State University Dissertations

Macrocyclic complexes have been useful in understanding many systems encountered in biology, along with having widespread use in analytical, pharmaceutical, and synthetic chemistry. My goal was to provide a quantitative experimental and theoretical description of cation-aza-crown and thia-crown ether interactions with alkali metal cations. Infrared multiple photon dissociation (IRMPD) action spectroscopy and energy-resolved collision-induced dissociation (CID) techniques were used in conjunction with theoretical electronic structure calculations to characterize the structures, binding interactions, and stability of cation-aza-crown ether interactions. Quantum chemical calculations at several levels of theory were employed to characterize the structures and stabilities of the isolated cations and aza-crown …

Multiple Dalitz Plot Analysis At Cleo-C, Mackenzie Smith

Wayne State University Dissertations

Dalitz Plot analysis is a standard technique for the study of weak hadronic 3-body decays. This technique allows us to extract the relative amplitudes, phases, and fit fractions of the resonances that are the primary product of such decays. A Dalitz analysis is complicated by the presence of two or more interfering resonances that appear at the same place on the plot. In this analysis I attempt to resolve the $K^{0}_{s} a_{0}(980)^{0}$ and $K^{0}_{s} f_{0}(980)$ in the decay of $D^{0} \to K^{0}_{s} K^{+} K^{-}$. Using the $K^{0}_{s} a_{0}(980)^{0}$ resonance found in $D^{0} \to K^{0}_{s} \pi^{0} \eta$, I compare equating a …

Biological Evaluation Of The Vaccine Candidate Tf-Ps A1 And A One-Pot Multicomponent Coupling/Cyclization For Natural Product Herbicide (±)-Thaxtomin A, Jean Paul Bourgault

Wayne State University Dissertations

ABSTRACT

BIOLOGICAL EVALUATION OF THE VACCINE CANDIDATE TF-PS A1 AND A ONE-POT MULTICOMPONENT COUPLING/CYCLIZATION FOR NATURAL PRODUCT HERBICIDE (±)-THAXTOMIN A

By

JEAN PAUL BOURGAULT

August 2015

Advisor: Prof. Peter R. Andreana

Major: Chemistry (Organic)

Degree: Doctor of Philosophy

The -aminooxy derivative of the Thomsen–Friedenreich tumor associated carbohydrate antigen has been synthesized in 11 steps utilizing a D-GalN3 acceptor carrying a pre-installed -N-hydroxysuccinimidyl moiety. The natural  linkage was prepared in high selectivity employing a suitably protected D-GalN3-thioglycoside donor with N-hydroxysuccinimide. With access to -TF-ONH2, the preparation of the TF-PS A1 vaccine candidate ensued smoothly through oxime bond formation. This construct …

Development Of Inlet And Vacuum Ionization Methods For Characterization Of Biological Materials By Mass Spectrometry, Beixi Wang

Wayne State University Dissertations

Inlet ionization and vacuum ionization are novel ionization methods to produce electrospray ionization (ESI)-like ions from the solid or liquid states, operating from atmospheric pressure (AP) or vacuum, without the use of voltage or the necessity of high energy input such as a laser or particle beam. The fundamental aspects were probed for better understanding of the novel ionization processes. Initial applications were attempted to utilize the novel ionization methods for fast, robust, and quantitative analyses.

For inlet ionizations (laserspray ionization inlet, LSII; matrix assisted ionization inlet, MAII; and solvent assisted ionization inlet, SAII), small (e.g. drugs) to large (e.g. …

Novel Incorportation Of Biomedical Engineering Algorithms (Bispectral Index Guided Or Anesthetic Concentration Guided) In Real-Time Decision Support To Prevent Intraoperative Awareness Using An Electronic Anesthesia Information Mananagement System, Amy Melanie Shanks

Wayne State University Dissertations

Background: Intraoperative awareness with explicit recall (AWR) is a feared complication of surgery that can lead to significant psychological distress. Several large prospective trials have been completed comparing two methods of monitoring anesthetic depth [minimum alveolar concentration (MAC) or electroencephalography (EEG) monitoring using the bispectral index (BIS)] for the prevention of AWR. However, these trials were conducted in high risk populations, limiting generalizability.

Research Hypothesis: Real-time decision support with Anesthesia Information Management System alerts based on a novel anesthetic concentration algorithm (incorporating the use of intravenous anesthetics) or an EEG-guided algorithm will reduce the known incidence of AWR.

Methods: First, …

(I)Chromatographic Methods For Solute Descriptor Determinations (Ii)Ruthenium Substrate-Catalyzed Growth Of Nickel Nitride Thin Films By Atomic Layer Deposition, Thiloka Chandima Ariyasena

Wayne State University Dissertations

Determination of distribution levels of environmentally important compounds in various environmental compartments is a major procedure in many fields including environmental risk assessment, food and drug safety, and the perfumery industry. Models for direct estimation of environmental properties were developed using gas chromatography and liquid-liquid partitioning. The developed models were used to derive descriptor values for environmentally important organic compounds. The accuracy of the developed models and descriptor values were demonstrated by the application to the estimation of standard environmental properties and by comparison with experimental solute property values.

Quantitative structure property relationships were constructed for totally organic biphasic partition …

Enhancement In Electrochemical Performance Of Advanced Battery Electrodes Using Carbon- Nanomaterial Composites, Kulwinder Dhindsa

Wayne State University Dissertations

LiFePO4 has attracted great interest as a cathode material for lithium ion batteries due to its reasonably high theoretical capacity (170mAh/g), thermal stability, high Li ion reversibility and low cost. However, prohibitively low electronic conductivity (~10-9 S/cm) of LiFePO4 leads to high impedance, low capacity and low rate capability. To overcome this bottleneck, we have developed multiple approaches to improve the conductivity of LiFePO4. Motivated by the outstanding electronic and mechanical properties as well as high surface area of graphene, we prepared LiFePO4/graphene nano-composites by a sol-gel method. The phase purity of the nano LiFePO4/Graphene composite was confirmed by X-Ray …

Developing A Toolbox To Probe Reaction Dynamics With Strong Field Ionization And Non-Linear Attosecond Spectroscopy, Thushani Nikeshala Herath

Wayne State University Dissertations

Electronic motions which happen in 10 to 100 of attoseconds are the heart of all processes in nature. Therefore monitoring and extracting details in this fundamental level will provide new prospect to the areas as information technology, basic energy science, medicine and life sciences. The challenge being, develop a tool to reach such a fast time scale for real time observation in atomic level. In this thesis work we have address this matter using two interesting approaches related to the laser matter interaction: strong field ionization and nonlinear attosecond spectroscopy. The first part is based on the studies related to …

Biochemical And Structural Characterization Of The Core Subunits Of Gpi Transamidase, Dilani G. Gamage

Wayne State University Dissertations

BIOCHEMICAL AND STRUCTURAL CHARACTERIZATION OF THE CORE SUBUNITS OF GPI TRANSAMIDASE

by

DILANI G GAMAGE

May 2015

Advisor: Prof. Tamara L. Hendrickson

Major: Chemistry (Biochemistry)

Degree: Doctor of Philosophy

Glycosylphosphatidylinositol transamidase (GPI-T) is a complicated, membrane-bound, multi-subunit enzyme that catalyzes an essential post-translational modification. This enzyme attaches GPI anchors to the C-termini of various proteins that contain a proper GPI-T signal sequence. Gpi8, Gaa1, Gpi16, Gpi17 and Gab1 are the five known subunits that may encompass the fungal GPI-T; Gpi8 is the catalytic subunit, but the functions of the other subunits remain essentially unknown. In humans, different GPI-T subunits are …

The Loss Of Genomic Uracil Homeostasis And Aid-Dependent Accumulation Of Dna Damage In B Cell Lymphomas, Sophia Shalhout

Wayne State University Dissertations

Activation-induced deaminase (AID) is a sequence-selective DNA cytosine deaminase that introduces uracils in immunoglobulin genes. This DNA mutator is required for somatic hypermutation and class switch recombination- processes involved in the affinity maturation and diversification of antibodies. AID, however, can also lead to deleterious mutations and translocations promoting lymphomagenesis. The introduction of uracils throughout the genome of activated B cells and the ability of UNG2 glycosylase to excise these uracils is examined here. This interplay was also studied in cancerous B cells, with different results emerging in transformed cells versus healthy cells. Genomic uracil levels are found to remain at …

New Characterizations Of Sobolev Spaces On Heisenberg And Carnot Groups And High Order Sobolev Spaces On Eucliean Spaces, Xiaoyue Cui

Wayne State University Dissertations

This dissertation focuses on new characterizations of Sobolev spaces .

It encompasses an in-depth study of Sobolev spaces on Heisenberg groups, as well as Carnot groups, second order and high order Sobolev spaces on Euclidean spaces.

A Prediction Modeling Framework For Noisy Welding Quality Data, Junheung Park

Wayne State University Dissertations

Numerous and various research projects have been conducted to utilize historical manufacturing process data in product design. These manufacturing process data often contain data inconsistencies, and it causes challenges in extracting useful information from the data. In resistance spot welding (RSW), data inconsistency is a well-known issue. In general, such inconsistent data are treated as noise data and removed from the original dataset before conducting analyses or constructing prediction models. This may not be desirable for every design and manufacturing applications since every data can contain important information to further explain the process. In this research, we propose a prediction …

Finite-Difference Approximations And Optimal Control Of Differential Inclusions, Yuan Tian

Wayne State University Dissertations

This dissertation concerns the study of the generalized Bolza type problem for dynamic systems governed by constrained differential inclusions. We develop finite-discrete approximations of differential inclusions by using the implicit Euler scheme and the Runge-Kutta scheme for approximating time derivatives, while an appropriate well-posedness of such approximations is justified. Our principal result establishes the uniform approximation of strong local minimizers for the continuous-time Bolza problem by optimal solutions to the corresponding discretized finite-difference systems by the strengthen $W^{1,2}$-norm approximation of this type in the case ``intermediate" (between strong and weak minimizers) local minimizers under additional assumptions. Especially the implicitly discrete …

Almost Sure Asymptotic Stabilization Of Differential Equations With Time-Varying Delay By Lévy Noise, Dezhi Liu, Weiqun Wang, Jose Luis Menaldi

Mathematics Faculty Research Publications

This paper aims to determine that the Lévy noise can stabilize the given differential equations with time-varying delay, which has generalized the Brownian motion case. An analysis is developed and sufficient conditions on the stabilization for stochastic differential equations with time-varying delay are presented. Our stabilization criteria is in terms of linear matrix inequalities (LMIs), whence the feedback controls can be designed more easily in practice.

Dna Aptamers Selected Against Wild-Type Helix 69 Ribosomal Rna And Their Implications In Combating Antibiotic Resistance, Sakina Miriam Hill

Wayne State University Dissertations

Outbreaks of advanced antibiotic-resistant strains of microbes have hastened the need to identify new viable molecular targets for the development of novel anti-infectives. For this purpose, helix 69 (H69, or m3a 19-nucleotide (nt) hairpin motif that is highly conserved throughout phylogeny and rich in modified nucleotides, including pseudouridine () and 3-methylpseudouridine (m3) was chosen as a potential target. Helix 69, which is located in domain IV of Escherichia coli 23S ribosomal RNA (rRNA), undergoes conformational changes when in close proximity to the decoding region of 16S rRNA and transfer RNAs (tRNAs) in the peptidyl-transferase center (PTC). Functionally, the exact biological …