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Flavin-N5 Covalent Intermediate In A Nonredox Dehalogenation Reaction Catalyzed By An Atypical Flavoenzyme, Yumin Dai, Karina Kizjakina, Ashley C. Campbell, David A. Korasick, John J. Tanner, Pablo Sobrado

Chemistry Faculty Research & Creative Works

The flavin-dependent enzyme 2-haloacrylate hydratase (2-HAH) catalyzes the conversion of 2-chloroacrylate, a major component in the manufacture of acrylic polymers, to pyruvate. The enzyme was expressed in Escherichia coli, purified, and characterized. 2-HAH was shown to be monomeric in solution and contained a non-covalent, yet tightly bound, flavin adenine dinucleotide (FAD). Although the catalyzed reaction was redox-neutral, 2-HAH was active only in the reduced state. A covalent flavin-substrate intermediate, consistent with the flavin-acrylate iminium ion, was trapped with cyanoborohydride and characterized by mass spectrometry. Small-angle X-ray scattering was consistent with 2-HAH belonging to the succinate dehydrogenase/fumarate reductase family of flavoproteins. …

Mini Review: A Note On Nonoscillatory Solutions For Higher Dimensional Time Scale Systems, Elvan Akin, Ozkan Ozturk, Ismail Ugur Tiryaki, Gulsah Yeni

Mathematics and Statistics Faculty Research & Creative Works

In this paper, we focus on nonoscillatory solutions of two (2D) and three (3D) dimensional time scale systems and discuss nonexistence of such solutions.

The Generalized Hypergeometric Difference Equation, Martin Bohner, Tom Cuchta

Mathematics and Statistics Faculty Research & Creative Works

A difference equation analogue of the generalized hypergeometric differential equation is defined, its contiguous relations are developed, and its relation to numerous well-known classical special functions are demonstrated.

A Higher-Order Ensemble/Proper Orthogonal Decomposition Method For The Nonstationary Navier-Stokes Equations, Max Gunzburger, Nan Jiang, Michael Schneier

Mathematics and Statistics Faculty Research & Creative Works

Partial differential equations (PDE) often involve parameters, such as viscosity or density. An analysis of the PDE may involve considering a large range of parameter values, as occurs in uncertainty quantification, control and optimization, inference, and several statistical techniques. The solution for even a single case may be quite expensive; whereas parallel computing may be applied, this reduces the total elapsed time but not the total computational effort. In the case of flows governed by the Navier-Stokes equations, a method has been devised for computing an ensemble of solutions. Recently, a reduced-order model derived from a proper orthogonal decomposition (POD) …

Parametrization Of Scale-Invariant Self-Adjoint Extensions Of Scale-Invariant Symmetric Operators, Miron B. Bekker, Martin Bohner, Alexander P. Ugol'nikov, Hristo Voulov

Mathematics and Statistics Faculty Research & Creative Works

On a Hilbert space H, we consider a symmetric scale-invariant operator with equal defect numbers. It is assumed that the operator has at least one scale invariant self-adjoint extension in H. We prove that there is a one-to-one correspondence between (generalized) resolvents of scale-invariant extensions and solutions of some functional equation. Two examples of Dirac-type operators are considered.

2018 Scholarly Productivity Report, Missouri University Of Science And Technology

Civil, Architectural and Environmental Engineering Scholarly Productivity Reports

No abstract provided.

Environmental Effects On Drosophila Brain Development And Learning, Xia Wang, Amei Amei, J. Steven De Belle, Stephen P. Roberts

Biological Sciences Faculty Research & Creative Works

Brain development and behavior are sensitive to a variety of environmental influences including social interactions and physicochemical stressors. Sensory input in situ is a mosaic of both enrichment and stress, yet little is known about how multiple environmental factors interact to affect brain anatomical structures, circuits and cognitive function. In this study, we addressed these issues by testing the individual and combined effects of sub-adult thermal stress, larval density and early-adult living spatial enrichment on brain anatomy and olfactory associative learning in adult Drosophila melanogaster. In response to heat stress, the mushroom bodies (MBs) were the most volumetrically impaired among …

Quantitative Phase-Field Modeling Of Crack Propagation In Multi-Phase Materials, Arezoo Emdadi

Doctoral Dissertations

”Research presented in this dissertation is focused on developing and validating a computational framework for study of crack propagation in polycrystalline composite ceramics capable of designing micro-architectures of phases to improve fracture toughness and damage tolerance of ZrB₂-based ultra-high temperature ceramics (UHTCs). A quantitative phase-field model based on the regularized formulation of Griffith’s theory is presented for crack propagation in homogenous and heterogeneous brittle materials. This model utilizes correction parameters in the total free energy functional and mechanical equilibrium equation within the crack diffusive area to ensure that the maximum stress in front of the crack tip is …

Harmful Algae, Algal Toxin, Taste And Odor Control And Mitigation In Public Water System, Haiting Zhang

Doctoral Dissertations

“Recent years, harmful algal blooms occurrence has increased quickly in the surface water worldwide, which has become a concern for drinking water plants due to the ability of toxic algae (cyanobacteria) to produce cyanotoxins including microcystins (MCs), mainly MC-LR, cylindrospermopsin (CYN), and taste and odor (T&O) compounds. Various types of chemicals are widely used in drinking water treatment plants as oxidants for treating source water challenged with harmful algal blooms. In this study, the release and degradation of intracellular MC-LR due to oxidation of Microcystis aeruginosa (M. aeruginosa), most common specie of cyanobacteria, was examined kinetically. Effect of …

Part I: Design, Synthesis, And Studies Of Novel Age-Inhibitors And Age-Breakers; Part Ii: Novel Synthetic Methods For Organofluorine Compound, Jatin Mehta

Doctoral Dissertations

"Novel small molecule inhibitors and breakers of advanced glycation end-products (AGEs) have been synthesized and their in vitro inhibitory activities have been studied by ¹³C NMR, fluorescence, and UV-visible spectroscopy. We have demonstrated that these AGE-inhibitors and AGE-breakers were found to be more effective in their sequestration of AGE intermediates, such as dehydroascorbate (DHA) than the state-of-the art phenacylthiazolium bromide (PTB)-based AGE-inhibitors and AGE-breakers. Citric acid and other polyphenolic antioxidants have substantial AGE inhibitory effects in the D-glucose/leucine or benzylamine Maillard reaction model systems, and thus they are suitable as dietary additives for ameliorating AGE-induced complications.

Organofluorine compounds have …

Cappack Devices For The Evaluation Of Parameters And Pulse Performances In Liquid And Solid-State Nmr Spectroscopy, Lingyu Chi

Doctoral Dissertations

"NMR spectroscopy is a powerful analytical tool to obtain explicit information about molecular structures, conformations, dynamics, and functions. To extract the desired information most accurately, NMR reference standards and devices are needed for calibrating the spectrometer hardware, generating reference data for the NMR software, and testing the applicability of pulse sequences. In this dissertation, the CapPack (Capillary-tube Package) platform is introduced which provides well-defined external reference and calibration standards for liquid and solid-state NMR applications. CapPacks consist of one or more permanently sealed capillary tubes that, depending on the intended application, come arranged in different geometries such as side-by-side or …

Multitarget Tracking And Terrain-Aided Navigation Using Square-Root Consider Filters, James Samuel Mccabe

Doctoral Dissertations

"Filtering is a term used to describe methods that estimate the values of partially observed states, such as the position, velocity, and attitude of a vehicle, using current observations that are corrupted due to various sources, such as measurement noise, transmission dropouts, and spurious information. The study of filtering has been an active focus of research for decades, and the resulting filters have been the cornerstone of many of humankind's greatest technological achievements. However, these achievements are enabled principally by the use of specialized techniques that seek to, in some way, combat the negative impacts that processor roundoff and truncation …

Nanoporous Carbon Scaffolds For Energy Storage Applications, Waruni Jayawardana

Doctoral Dissertations

"Nanoporous carbons (NCs) have become increasingly popular in various fields of research due to their unique properties including tunable pore sizes, higher pore volumes and higher surface areas, as well as being able to produce controlled nanostructures. The work presented here uses NC scaffolds with as active hosts for (1) Li-ion battery electrodes and (2) confined metal hydrides (MH) for hydrogen storage applications. In (1) we investigate the Li diffusion characteristics in hard carbons (HCs) that are important for electrochemical applications. We develop a novel method named Voltage-Relaxation Galvanostatic Intermittent Titration Technique (VR-GITT). Parameters derived from the fitting of electrochemical …

Electrodeposited Epitaxial Cobalt Oxides And Copper Metal, Caleb M. Hull

Doctoral Dissertations

"Electrochemical deposition methods are presented for the deposition of Co(OH)₂ and Cu metal. Paper I shows the deposition of β-Co(OH)₂ on Ti through electrochemical reduction of [Co(en)₃]³⁺ to [Co(en)₃]²⁺ in 2M NaOH. The catalytic properties of the deposited Co(OH)₂ towards water oxidation is found comparable to Co₃O₄, with the surface of the Co(OH)₂ converting to CoOOH during the reaction. Paper II gives the conditions suitable for epitaxial growth of Co(OH)₂ on Au(100), Au(110), and Au(111) following the same reduction mechanism as described in Paper I. …

Discrete Element And Artificial Intelligence Modeling Of Rock Properties And Formation Failure In Advance Of Shovel Excavation, Muhammad Waqas

Doctoral Dissertations

"Rock tests are performed before the start of every mining or civil engineering project as part of a detailed feasibility study. The feasibility study is costly and it comprises drilling, sample collection, sample handling and laboratory testing. Numerical modeling techniques, such as Particle Flow Code (PFC), can be used to provide reliable estimates of rock strength values. The numerical models for unconfined compressive strength (UCS), direct tension, and Brazilian tests were developed in PFC, and validated using data from literature. A particle size range of 3-5 mm with D_max/D_min = 1.67 gave the best results. The numerical …

Phenolic Resin Aerogels: The Significance Of Inserting An Oxidative Ring-Fusion Aromatization Step At The Early Stages Of Pyrolytic Carbonization, And The Application Of These Materials In Co₂ Storage And Separation, Hojat Majedi Far

Doctoral Dissertations

"Phenolic aerogels, prepared via polycondensation of phenolic monomers and formaldehyde, were converted to carbon aerogels at 800 ⁰C/Ar followed by reactive etching under flowing CO₂. Previously, it was found that a lower-temperature air-oxidation of polybenzoxazine aerogels was necessary in order to obtain highly porous, isomorphic carbon aerogels with high carbonization yields. Using those findings as the point of departure, phenolic aerogels were oxidized at 240 ⁰C/air prior to carbonization. During that air-oxidation step, phenolic aerogels based on phloroglucinol (1,3,5- trihydroxybenzene) undergo fusion of their aromatic rings, yielding 6-membered heteroaromatic pyryliums with pendant phenoxide ions. The resulting carbon aerogels …

Seismic Anisotropy And The Mantle Dynamics Beneath The Arabian Plate, Saleh Ismail Hassan Qaysi

Doctoral Dissertations

"We investigate mantle seismic azimuthal anisotropy and deformation beneath the Arabian Plate and adjacent areas using data from 182 broadband seismic stations which include 157 stations managed by the Saudi Geological Survey. A total of about 4000 pairs of shear wave splitting parameters are obtained using the transverse minimization technique. The individual XKS (including PKS, SKS, and SKKS) splitting measurements were manually checked to ensure the quality. The well-defined parameters show dominantly N-S fast orientations at the majority of the stations, and NW-SE fast orientations along the Zagras Mountain front. No clear systematic variations of the splitting parameters as a …

Computational Dynamics And Virtual Dragline Simulation For Extended Rope Service Life, Muhammad Wardeh

Doctoral Dissertations

"The dragline machinery is one of the largest equipment for stripping overburden materials in surface mining operations. Its effectiveness requires rigorous kinematic and dynamic analyses. Current dragline research studies are limited in computational dynamic modeling because they eliminate important structural components from the front-end assembly. Thus, the derived kinematic, dynamic and stress intensity models fail to capture the true response of the dragline under full operating cycle conditions. This research study advances a new and robust computational dynamic model of the dragline front-end assembly using Kane's method. The model is a 3-DOF dynamic model that describes the spatial kinematics and …

Modeling And Characterization Of Thermo-Oxidative Behavior Of Bismaleimide Composites, Rafid Muhammad Hussein

Doctoral Dissertations

"High-temperature polymer matrix composites (HTPMCs) are susceptible to thermo-oxidation, which accelerates the composites' degradation and reduces the service life. Mechanical properties of HTPMCs deteriorate due to coupled thermo-oxidation and cross-linking mechanisms. Bismaleimides (BMIs) are commonly used high-temperature resins for aerospace applications. This work presents the viability of using experimental weight loss to model the spatial distribution of oxidation when the oxidized polymer matrix is not discernible. Three tasks are introduced: (1) Anisotropic oxidation prediction using optimized weight loss behavior of bismaleimide composites, (2) A multi-scale modeling of thermo-oxidative effects on the flexural behavior of cross-ply bismaleimide composites, and (3) Thermo-oxidative …

Modeling And Simulation Of Viscoplasticity, Recrystallization, And Softening Of Alloyed Steel During Hot Rolling Process, Xin Wang

Doctoral Dissertations

"Hot rolling is one of the most important and complex deformation processes in steel manufacturing and is essential to final product quality. The objective of this study is to investigate viscoplasticity, dynamic recrystallization, and static softening of alloyed metal during hot rolling process. Gleeble hot compression tests were performed to provide experimental stress-strain curves at different temperatures and strain rates. An inverse finite element analysis was performed to calibrate the experimental curves. Viscoplastic models including a Johnson-Cook (JC) model, a Zerilli-Armstrong (ZA) model, and a combined JC and ZA model were developed. Dynamic recrystallization behavior was investigated and modeled based …

Adaptive Data Analysis For Damage Detection And System Identification In Civil Infrastructure, Hongya Qu

Doctoral Dissertations

"Time-varying structural systems are often encountered in civil engineering. As extreme events occur more frequently and severely in recent years, more structures are loaded beyond their elastic conditions and may thus experience damage in the years to come. Even if structures remain elastic, energy dissipation devices installed on structures often reveal hysteretic behaviors under earthquake loads. Therefore, it is imperative to develop and implement novel technologies that enable the identification and damage detection of time-varying systems. In this dissertation, adaptive wavelet transform (AWT) and multiple analytical mode decomposition (M-AMD) are proposed and applied to identify system properties and detect damage …

Functionalized Nanoporous Carbon Scaffolds For Hydrogen Storage Applications, Christopher L. Carr

Doctoral Dissertations

"Recent efforts have demonstrated confinement in porous scaffolds at the nanoscale can alter the hydrogen sorption properties of metal hydrides, though not to an extent feasible for use in onboard hydrogen storage applications, proposing the need for a method allowing further modifications. The work presented here explores how the functionalization of nanoporous carbon scaffold surfaces with heteroatoms can modify the hydrogen sorption properties of confined metal hydrides in relation to non-functionalized scaffolds (FS). Investigations of nanoconfined LiBH₄ and NaAlH₄ indicate functionalizing the carbon scaffold surface with nitrogen can shift the activation energy of hydrogen desorption in excess of …

New Developments Of Dimension Reduction, Lei Huo

Doctoral Dissertations

"Variable selection becomes more crucial than before, since high dimensional data are frequently seen in many research areas. Many model-based variable selection methods have been developed. However, the performance might be poor when the model is mis-specified. Sufficient dimension reduction (SDR, Li 1991; Cook 1998) provides a general framework for model-free variable selection methods.

In this thesis, we first propose a novel model-free variable selection method to deal with multi-population data by incorporating the grouping information. Theoretical properties of our proposed method are also presented. Simulation studies show that our new method significantly improves the selection performance compared with those …

Crustal Structure Beneath The Eastern Margin Of The Tibetan Plateau And Adjacent Areas From Receiver Function Stacking And Gravity Modeling, Yunxin Peng

Doctoral Dissertations

"To provide constraints on the mechanisms responsible for the uplift and crustal thickening of the eastern Tibetan Plateau, the thickness and Vp/Vs values of the Moho beneath 153 seismic stations are obtained by stacking P-to-S converted phases from the Moho and gravity modeling. The resulting crustal thickness generally decreases from the northwest to the south-east, from about 60 km in the Bayan Har Block to 30 km in the Sichuan Basin. The crustal Vp/Vs measurements in the Qinling Orogenic Belt, Bayan Har Block, Chuxiong Basin, and Yangtze Platform indicate an overall intermediate to felsic crustal composition. With a relatively thick …

Adaptive Dynamic Programming With Eligibility Traces And Complexity Reduction Of High-Dimensional Systems, Seaar Jawad Kadhim Al-Dabooni

Doctoral Dissertations

"This dissertation investigates the application of a variety of computational intelligence techniques, particularly clustering and adaptive dynamic programming (ADP) designs especially heuristic dynamic programming (HDP) and dual heuristic programming (DHP). Moreover, a one-step temporal-difference (TD(0)) and n-step TD (TD(λ)) with their gradients are utilized as learning algorithms to train and online-adapt the families of ADP. The dissertation is organized into seven papers. The first paper demonstrates the robustness of model order reduction (MOR) for simulating complex dynamical systems. Agglomerative hierarchical clustering based on performance evaluation is introduced for MOR. This method computes the reduced order denominator of the transfer …

Paleogene-Early Neogene Palynomorphs From The Eastern Equatorial Atlantic And Southeastern Florida, Usa: Biostratigraphy And Paleoenvironmental Implications, Walaa K. Awad

Doctoral Dissertations

"The transition from greenhouse conditions (Paleocene-Eocene Thermal Maximum, PETM) to icehouse conditions (Early Oligocene) is not well documented in tropical-subtropical regions. One hundred and five samples from Ocean Drilling Program (ODP) Site 959 (Hole 959A and Hole 959D) in the Cote d'Ivoire-Ghana Transform Margin, Alo-1 Well in the northern Niger Delta (Anambra) Basin, Nigeria, and W-17001 in southeastern Florida were studied for their palynological contents. Dinoflagellate cysts were mainly utilized for age refinement and to detect subtle changes in paleoenvironment and paleoclimate during the Paleocene-Early Eocene (ODP Hole 959D and Alo-1 Well) and Late Eocene-Early Miocene (ODP Hole 959A and …

Data Analytics For Stochastic Control And Prognostics In Cyber-Physical Systems, Shanshan Bi

Doctoral Dissertations

"In this dissertation, several novel cyber fault diagnosis and prognosis and defense methodologies for cyber-physical systems have been proposed. First, a novel routing scheme for wireless mesh network is proposed. An effective capacity estimation for P2P and E2E path is designed to guarantee the vital transmission safety. This scheme can ensure a high quality of service (QoS) under imperfect network condition, even cyber attacks. Then, the imperfection, uncertainties, and dynamics in the cyberspace are considered both in system model and controller design. A PDF identifier is proposed to capture the time-varying delays and its distribution. With the modification of traditional …

Incremental Proper Orthogonal Decomposition For Pde Simulation Data: Algorithms And Analysis, Hiba Fareed

Doctoral Dissertations

"We propose an incremental algorithm to compute the proper orthogonal decomposition (POD) of simulation data for a partial differential equation. Specifically, we modify an incremental matrix SVD algorithm of Brand to accommodate data arising from Galerkin-type simulation methods for time dependent PDEs. We introduce an incremental SVD algorithm with respect to a weighted inner product to compute the proper orthogonal decomposition (POD). The algorithm is applicable to data generated by many numerical methods for PDEs, including finite element and discontinuous Galerkin methods. We also modify the algorithm to initialize and incrementally update both the SVDand an error bound during the …

Aerogels For Energy Storage Applications: From Shape Memory Materials To Thermites And Explosives, Suraj Donthula

Doctoral Dissertations

"Aerogels are three dimensional highly porous solid objects that provide density reduction compared to dense objects. Those materials can have applications in different classes of energy storage and the two types that are focused in this dissertation are mechanical energy and thermal energy storage. Shape memory materials can store and recover elastic deformation energy when triggered by an external stimulus such as temperature. To incorporate those properties, shape memory polymeric aerogels (SMPA) were synthesized from a rigid isocyanurate containing triisocyanate (N3300 A) and four short oligomeric derivatives of ethylene glycol: H(OCH₂CH₂)_nOH (1 ≤ n …

Cox-Type Model Validation With Recurrent Event Data, Muna Mohamed Hammuda

Doctoral Dissertations

"Recurrent event data occurs in many disciplines such as actuarial science, biomedical studies, sociology, and environment to name a few. It is therefore important to develop models that describe the dynamic evolution of the event occurrences. One major problem of interest to researchers with these types of data is models for the distribution function of the time between events occurrences, especially in the presence of covariates that play a major role in having a better understanding of time to events.

This work pertains to statistical inference of the regression parameter and the baseline hazard function in a Cox-type model for …