Digital Commons Network^™

Picolyl Substituted N-Heterocyclic Carbene/Palladium Catalyzed Heck Reactions, Murat Yi̇ği̇t, Beyhan Yi̇ği̇t, İsmai̇l Özdemi̇r, Engi̇n Çeti̇nkaya

Turkish Journal of Chemistry

Novel 1,3-dialkylimidazolinium and 1,3- dialkyltetrahydropyrimidinium hexafluorophosphate salts as N-heterocyclic carbene precursors were prepared by reacting N,N'-dialkylethandiamine or N,N'-dialkylpropandiamine, triethyl orthoformate, and ammonium hexafluorophosphate. The salts were characterized spectroscopically and tested in homogeneous Heck reactions.

Convenient Synthesis Of Monomeric Steroids From Steroidal Oxalate Dimers Using Flash Vacuum Pyrolysis (Fvp), Lutfun Nahar, Alan Turner, Satyajit Sarker

Turkish Journal of Chemistry

Flash vacuum pyrolysis (FVP) or thermolysis (FVT), an environmentally friendly method for studying organic reaction mechanisms as well as synthesis, was applied to a series of oxalate dimers (1, 3, 5, 7, 9, 11, 13, and 15) to synthesise monomeric enes, dienes, and a triene (2, 4, 6, 8, 10, 12, 14, and 16). All steroidal monomers were identified by spectroscopic means.

Synthesis, Characterisation, And Structural Elucidation By Spectral Investigation (Ft-Ir, Multinuclear Nmr, Mass Spectrometry) Of Biologically Active Organotin(Iv) Compounds Containing Germanium, Muhammad Kaleem Khosa, Muhammad Mazhar, Saqib Ali, Sarim Dastgir

Turkish Journal of Chemistry

A new series of di and tri-organotin(IV) compounds containing germanium with the general formula R_{4-n}SnL_n was synthesised by reaction of 3-triphenylgermanyl-3,3-dimethylpropionic acid with organotin(IV) oxides and organotin(IV) chloride in 2:1 and 1:1 molar ratio, respectively, where R~=~CH_3, C_2H_5, n-C_4H_9, n-C_8H_{17}, and C_6H_5 n = 1 or 2 and L~=~triphenylgermanyl acid anion (GeC_{23} H_{23} O_2^-). These compounds were characterised by elemental analyses, FT-IR, multinuclear NMR (^1H, ^{13}C, ^{119}Sn), and mass spectrometry. The geometry around the tin atom was determined and compared in both solution and solid states. The spectroscopic results indicated that all the diorganotin(IV) compounds containing germanium possess trigonal-bipyramidal structures …

A Theoretical Study Of The Effects Of Polar Substitution On The Activation Barriers For Internal Rotation Around The C-N Bond In P-Substituted Nitrosobenzenes: Comparison Of Dft And Mp2 Calculations, Şafak Özhan Kocakaya, Necmetti̇n Pi̇ri̇nççi̇oğlu

Turkish Journal of Chemistry

The activation barriers for internal rotation around the C-N bond in p-substituted nitrosobenzenes were calculated using the density functional theory (DFT) and second-order Møller-Plesset (MP2) methods with the 6-31+g(d) basis set. The polarisable continuum model (PCM) was used to model the solvent effect. An explicit water molecule was also introduced to form a hydrogen bond with the nitrosogroup and its effect on the barrier was studied by DFT. The barriers were well-correlated with Hammett sigma^+ rather than sigma values, meaning a strong resonance effect. The MP2 method produces better and comparable results with the few available experimental values.

Comparative Kinetic Studies On The Alkaline Hydrolysis Of Halogen Substituted Isocoumarins, Hafiz Badaruddin Ahmad, Muhammad Aslam Malana, Muhammad Yousaf, Muhammad Rehan, Mazhar Abbas

Turkish Journal of Chemistry

Kinetics of the hydrolysis of 3-(2'-chloro-6'-fluorobenzyl) isocoumarin (1), 3-(4'-fluorophenyl)isocoumarin (3), 3-(2'- fluorophenyl)isocoumarin (5), 3-(2'-chlorophenyl)isocoumarin (7), and 3-(4'-chlorophenyl)isocoumarin (9) were studied spectrophotometrically in the presence of aqueous solution of potassium hydroxide. The rates of hydrolyses for these isocoumarins were compared. The data for isocoumarin (1) were further investigated to probe the reaction mechanism. The dependence of pseudo-first order rate constant k_{obs} on hydroxide ion concentration is fitted by the expression k_{obs} = k_o + k_1[OH] + k_2 [OH]^2, showing the formation of monoanionic and dianionic tetrahedral intermediates during the course of reaction. The magnitude of k_o shows significant participation of solvent …

An Investigation Of California Middle-Grades Teachers' Knowledge Of Early Adolescent Development, Melina Johnson

Doctoral Dissertations

NA

Analysis Of Models For Longitudinal And Clustered Binary Data, Weiming Yang

Mathematics & Statistics Theses & Dissertations

This dissertation deals with modeling and statistical analysis of longitudinal and clustered binary data. Such data consists of observations on a dichotomous response variable generated from multiple time or cluster points, that exhibit either decaying correlation or equi-correlated dependence. The current literature addresses modeling the dependence using an appropriate correlation structure, but ignores the feasible bounds on the correlation parameter imposed by the marginal means.

The first part of this dissertation deals with two multivariate probability models, the first order Markov chain model and the multivariate probit model, that adhere to the feasible bounds on the correlation. For both the …

Factors Contributing To Low Performance Among African American And Hispanic Students On The California High School Exit Exam (Cahsee), Zelda Brown

Doctoral Dissertations

NA

Nearest Neighbor Search With Strong Location Privacy, Stavros Papadopoulos, Spiridon Bakiras, Dimitris Papadias

Publications and Research

The tremendous growth of the Internet has significantly reduced the cost of obtaining and sharing information about individuals, raising many concerns about user privacy. Spatial queries pose an additional threat to privacy because the location of a query may be sufficient to reveal sensitive information about the querier. In this paper we focus on k nearest neighbor (kNN) queries and define the notion of strong location privacy, which renders a query indistinguishable from any location in the data space. We argue that previous work fails to support this property for arbitrary kNN search. Towards this end, we introduce methods that …

Blind Expertise, Christopher Robertson

Faculty Scholarship

The United States spends many billions of dollars on its system of civil litigation, and expert witnesses appear in a huge portion of cases. Yet litigants select and retain expert witnesses in ways that create the appearance of biased hired guns on both sides of every case, thereby depriving factfinders of a clear view of the facts. As a result, factfinders too often arrive at the wrong conclusions, thus undermining the deterrence and compensation functions of litigation. Court-appointment of experts has been widely proposed as a solution, yet it raises legitimate concerns about accuracy and has failed to gain traction …

A Generalized Nonlinear Model For The Evolution Of Low Frequency Freak Waves, Jonathan Blackledge

Articles

This paper presents a generalized model for simulating wavefields associated with the sea surface. This includes the case when `freak waves' may occur through an effect compounded in the nonlinear (cubic) Schrodinger equation. After providing brief introductions to linear sea wave models, `freak waves' and the linear and nonlinear Schrodinger equations, we present a unified model that provides for a piecewise continuous transition from a linear to a nonlinear state. This is based on introducing a fractional time derivative to develop a fractional nonlinear partial differential equation with a stochastic source function. In order to explore the characteristics of this …

Fractional Anisotropic Diffusion For Noise Reduction In Magnetic Resonance Images, Jonathan Blackledge, Matthew Blackledge

Articles

We extend the method of anisotropic diffusion for noise reduction in digital images to the case when the diffusion processes are non-Gaussian and Levy distributed. This yields a fractional diffusion equation characterised by the Levy index. A solution to this equation is considered and a numerical algorithm developed. The algorithm is then applied as a case study to the problem of reducing noise in magnetic resonance imaging. The focus of this study is on diffusion weighted images which have low signal-to-noise ratios.

Systemic Risk Assessment Using A Non-Stationary Fractional Dynamic Stochastic Model For The Analysis Of Economic Signals, Jonathan Blackledge

Articles

This paper considers the Fractal Market Hypothesis (FMH) for assessing the risk(s) in developing a financial portfolio based on data that is available through the Internet from an increasing number of sources. Most financial risk management systems are still based on the Efficient Market Hypothesis which often fails due to the inaccuracies of the statistical models that underpin the hypothesis, in particular, that financial data are based on stationary Gaussian processes. The FMH considered in this paper assumes that financial data are non-stationary and statistically self-affine so that a risk analysis can, in principal, be applied at any time scale …

Using Virtual Reality To Enhance Electrical Safety And Design In The Built Environment, Martin Barrett, Jonathan Blackledge, Eugene Coyle

Articles

Electricity and the inherent risks associated with its use in the built environment have long since been a priority for the electrical services industry and also the general public who must live and work in this environment. By its nature virtual reality has the advantage of being safe for both the user and equipment. In addition, it offers the user an opportunity to be exposed to a range of scenarios and conditions that either occur infrequently or are hazardous to replicate. This paper presents a prototype desktop virtual reality model, to enhance electrical safety and design in the built environment. …

Weak Gradient Inverse Schrodinger Scattering, Jonathan Blackledge

Articles

The paper briefly reviews formal methods and associated conditions for solving the forward and inverse Schrodinger scattering problem for a three-dimensional elastic scattering potential. These methods are based on an application of the Green's function and are conditional upon the properties of the scattering potential, e.g. that the scattering potential is a `weak scatterer'. In this paper, we explore an alternative route to solving the problem which depends on properties imposed on the scattered wavefield rather than the scattering potential. In particular, we explore the case when the gradient of the scattered wavefield is weak relative to its frequency. An …

Ethnic Differences Among Incarcerated Sex Offenders, Alejandro Leguizamo, Brooke Peltzman, Nicolas Carrasco, Michelle Nosal, Leslie Woods

Arts & Sciences Faculty Publications

No abstract provided.

A Wake-Based Correlate Of Swimming Performance And Foraging Behavior In Seven Co-Occurring Jellyfish Species, John O. Dabiri, Sean Colin, K. Katija, John H. Costello

Arts & Sciences Faculty Publications

It is generally accepted that animal–fluid interactions have shaped the evolution of animals that swim and fly. However, the functional ecological advantages associated with those adaptations are currently difficult to predict on the basis of measurements of the animal–fluid interactions. We report the identification of a robust, fluid dynamic correlate of distinct ecological functions in seven jellyfish species that represent a broad range of morphologies and foraging modes. Since the comparative study is based on properties of the vortex wake – specifically, a fluid dynamical concept called optimal vortex formation – and not on details of animal morphology or phylogeny, …

The Afterglows Of Swift-Era Gamma-Ray Bursts. I. Comparing Pre-Swift And Swift-Era Long/Soft (Type Ii) Grb Optical Afterglows, D. A. Kann, S. Klose, B. Zhang, D. Malesani, E. Nakar, A. Pozanenko, A. C. Wilson, N. R. Butler, P. Jakobsson, S. Schulze, M. Andreev, L. A. Antonelli, I. F. Bikmaev, V. Biryukov, M. B¨Ottcher, R. A. Burenin, J. M. Castro Cer´On, A. J. Castro-Tirado, G. Chincarini, B. E. Cobb, S. Covino, P. D’Avanzo, V. D’Elia, M. Della Valle, A. De Ugarte Postigo, Yu Efimov, P. Ferrero, D. Fugazza, D. Fugazza, J. P.U. Fynbo, M. Gålfalk, F. Grundahl, J. Gorosabel, S. Gupta, S. Guziy, B. Hafizov, J. Hjorth, K. Holhjem, M. Ibrahimov, M. Im, G. L. Israel, M. Je´Linek, B. L. Jensen, R. Karimov, I. M. Khamitov, U. KizilogˇLu, E. Klunko, P. Kuba´Nek, A. S. Kutyrev, P. Laursen, A. J. Levan, F. Mannucci, C. M. Martin, A. Mescheryakov, N. Mirabal, J. P. Norris, J. -E. Ovaldsen, D. Paraficz, E. Pavlenko, S. Piranomonte, A. Rossi, V. Rumyantsev, R. Salinas, A. Sergeev, D. Sharapov, J. Sollerman, B. Stecklum, L. Stella, G. Tagliaferri, N. R. Tanvir, J. Telting, V. Testa, Adria Updike, A. Volnova, D. Watson, K. Wiersema, D. Xu

Arts & Sciences Faculty Publications

We have gathered optical photometry data from the literature on a large sample of Swift-era gamma-ray burst (GRB) afterglows including GRBs up to 2009 September, for a total of 76 GRBs, and present an additional three pre-Swift GRBs not included in an earlier sample. Furthermore, we publish 840 additional new photometry data points on a total of 42 GRB afterglows, including large data sets for GRBs 050319, 050408, 050802, 050820A, 050922C, 060418, 080413A, and 080810. We analyzed the light curves of all GRBs in the sample and derived spectral energy distributions for the sample with the best data quality, allowing …

Spatial And Temporal Patterns In Nitrous Oxide Flux From Agricultural Soil In Southern Ontario, Michelle E. Zurbrigg

Theses and Dissertations (Comprehensive)

This research examines spatial and temporal variations in N₂O flux from agricultural clay loam in corn-wheat and corn-oat rotations in southern Ontario. Gas samples are collected by the chamber method following significant precipitation events, thaw events, fertilization events, and otherwise every two weeks over a two-year period. Crop type appears to influence the magnitude of N₂O emisions, whereas N₂O fluxes do not otherwise seem to vary by landscape position. The seasonal pattern of in situ N₂O flux at Strawberry Creek (SC) indicates that the highest N₂O emissions are occuring during …

Computational And Theoretical Aspects Of N-E.C. Graphs, Alexandru Costea

Theses and Dissertations (Comprehensive)

We consider graphs with the n-existentially closed adjacency property. For a positive integer n, a graph is n-existentially closed (or n-e.c.) if for all disjoint sets of vertices A and B with \A∪ B\ = n (one of A or B can be empty), there is a vertex 2 not in A∪B joined to each vertex of A and no vertex of B. Although the n-e.c. property is straightforward to define, it is not obvious from the definition that graphs with the property exist. In 1963, Erdos and Rényi gave …

Plant Isotopes As Indicators Of N Cycling Processes In Agricultural Fields, Eric Thuss

Theses and Dissertations (Comprehensive)

When nitrogen (N) availability exceeds biological demand, excess N, especially nitrate (NO₃), may subsequently pollute ground and surface water. Agricultural practices in Southern Ontario typically supplement soils with organic and inorganic nutrients to aid in crop development, and employ various management techniques to limit nutrient loss. Excess N has several potential fates, which are controlled by the net effects of numerous N cycling reactions in the soil that are often difficult to measure directly. N cycling in soils is controlled in large part by soil moisture, as it affects microbial activity and soil redox conditions. Stable isotope geochemistry …

Mathematical Modeling And Control Of Nonlinear Oscillators With Shape Memory Alloys, Mohamed Bendame

Theses and Dissertations (Comprehensive)

Shape memory alloys (SMAs) belong to an interesting type of materials that have attracted the attention of scientists and engineers over the last few decades. They have some interesting properties that made them the subject of extensive research to find the best ways to utilize them in different engineering, biomedical, and scientific applications. In this thesis, we develop a mathematical model and analyze the behavior of SMAs by considering a one degree of freedom nonlinear oscillator consisting of a mass connected to a fixed frame through a viscous damping and a shape memory alloy device. Due to the nonlinear and …

Physiological And Toxicological Effects Of Pb Plus Cd Mixtures On Rainbow Trout (Oncorhynchus Mykiss) In Soft Acidic Water, Yvonne Kara

Theses and Dissertations (Comprehensive)

The ability of a metal to cause toxicity in aquatic environments is highly dependant upon the water chemistry, which can influence metal bioavailability. Metal bioavailability is affected by the concentration of the metal, complexation of the metal by organic and inorganic ligands, and by the speciation of the metal. Predictive models of metal toxicity, such as the biotic ligand model (BLM) have mainly focused upon predicting the toxicity of individual metals rather than the toxicity of metals in mixtures, which are more commonly found in contaminated waters. Two metals that are commonly found together are Pb and Cd which can …

Paleolimnological Reconstruction Of Hydrologic Change In The Slave River And Great Slave Lake During The Past Millennium, Matthew Ennis

Theses and Dissertations (Comprehensive)

The Slave River Delta (SRD), NWT, represents a pivotal node in the upper Mackenzie Basin watershed and is a productive northern wetland landscape with a rich natural and cultural heritage. Concerns over environmental consequences of natural and anthropogenic-driven decline in river discharge as well as climate variability have prompted hydroecological sstudies to improve understanding of how this ecosystem functions over time and space. However, long-term natural hydrological variability of the Slave River system is not well documented and needs to be further developed. In order to provide a temperal context for understanding and evaluating the impacts of climate variability and …

Insights Into Genome Functional Organisation Through The Analysis Of Interaction Networks, Andre Masella

Theses and Dissertations (Comprehensive)

Using computational techniques to identify orthology and operon structure, it is possible to find functional interactions between genes, which, together, define the genetic interactome. These large networks contain information about the relationships between phenotypes in organisms as genes responsible for related abilities are often co-regulated and reasserting of these genes can be detected in the operon structure. However, these networks are too large to analyse by hand In order to practically analyse the networks, a computational tool, gisql, was developed and, using this tool, the connectivity patterns in the genetic interactome can be analysed to understand high-level organisation of …

Rethinking Biodiversity Conservation Effectiveness And Evaluation In The National Protected Areas Systems Of Tropical Islands: The Case Of Jamaica And The Dominican Republic, Suzanne Mae Camille Davis

Theses and Dissertations (Comprehensive)

Island conservation theory and practice with regard to conservation of tropical terrestrial biodiversity in protected areas systems has yet to be adequately addressed in conservation literature. This knowledge gap is identified as a key contributor to the adoption of scientific principles for in situ biodiversity conservation, and “universal” conservation and protected area management paradigms that are unsuitable for island contexts and geographical scale. The underlying assumption is that “universal” concepts of biodiversity conservation, protected areas management, and evaluation of their effectiveness are transferable to the ecological and socio-economic contexts of tropical islands. The expected outcome of this knowledge transfer is …

Computational Structural Modelling Of Coronary Stent Deployment: A Review, David Martin, Fergal Boyle

Articles

The finite element (FE) method is a powerful investigative tool in the field of biomedical engineering, particularly in the analysis of medical devices such as coronary stents whose performance is extremely difficult to evaluate in vivo. In recent years, a number of FE studies have been carried out to simulate the deployment of coronary stents, and the results of these studies have been utilised to assess and optimise the performance of these devices. The aim of this paper is to provide a thorough review of the state-of-the-art research in this area, discussing the aims, methods and conclusions drawn from a …

Structure And Content Semantic Similarity Detection Of Extensible Markup Language Documents Using Keys, Waraporn Viyanon

Doctoral Dissertations

"XML (eXtensible Mark-up Language) has become the fundamental standard for efficient data management and exchange. Due to the widespread use of XML for describing and exchanging data on the web, XML-based comparison is central issues in database management and information retrieval. In fact, although many heterogeneous XML sources have similar content, they may be described using different tag names and structures. This work proposes a series of algorithms for detection of structural and content changes among XML data. The first is an algorithm called XDoI (XML Data Integration Based on Content and Structure Similarity Using Keys) that clusters XML documents …

The Stereochemistry Of Selected Supramolecular Complexes Of Cucurbiturils And The Effect Of Homogeneous Equilibria And Electron Transfer Of The Guest, Arumugam Thangavel

Doctoral Dissertations

"From a practical perspective, host-guest complexes are vehicles for understanding and using supramolecular interactions for purposeful function in sensors, molecular machines and switches, while from a fundamental perspective they may lead to novel supramolecular protection schemes in basic organic reactions. This dissertation examines the interactions of cucurbiturils as barrel-shaped hosts, exhibiting a hydrophobic cavity, with substituted benzoylpyrydinium, phenypyrylium, and diazaanthraquinonediium cations as guests. In water, N-methyl-4-(p-substituted benzoyl)pyridinium cations exist in equilibrium with their hydrated forms (gem-diols), whose concentrations depend on the para substituent. In the presence of cucurbit7uril (CB[7]), the benzoyl group shows a preference for the CB[7] cavity, and …

Ground Penetrating Radar Investigations In Upper Kama Potash Mines, Oleg N. Kovin

Doctoral Dissertations

"An understanding of the structure and state of the rock mass surrounding underground openings in the potash mines is critically important for safe mining, planning the methods of extraction of an orebody, and preventing the influx of ground water. Continuous common offset ground penetrating radar (GPR) data were acquired in the potash mine operated by the Joint Stock Company (JSC) "Silvinit" (Russia) as part of an investigation of both pre-existing fractures exposed by mine workings and other anomalous geological structures. During the course of GPR investigation, the electrical properties of salt-bearing units were determined, site-specific data acquisition techniques and object-oriented …