The Systematics of Muonium Hyperfine Constants

The hyperfine constants for muonium in elemental and binary inorganic solids suggest formation of three different families of defect centre, with distinct electronic structures. The overall range of values, spanning nearly five orders of magnitude, and their correlation with host properties such as band gap and electron affinity, reveal a deep-to-shallow instability which has profound implications for the electrical properties of hydrogen impurity in electronic materials, both semiconducting and dielectric.     

Synthesis of cyclic mono- and bis-disulfides and their selective conversion to mono- and bis-thiosulfinates

Twelve-membered ring pseudopeptidic cyclic disulfides have been prepared by iodine oxidation of the parent dithiols. However, oxidation of N,N′-(1,2-phenylene)bis(2-mercapto-2-methylpropanamide) afforded a 25/75 mixture of cyclic mono- and bis-disulfides that were separated by selective precipitation in CHCl₃. The cyclic bis-disulfide was selectively prepared by iodine oxidation of the Ni complex of this dithiol and crystallized. Its crystal structure was solved by X-ray diffraction. All these cyclic mono- or bis-disulfides were selectively converted to cyclic mono- and bis-thiosulfinates upon stoichiometric oxidation with dimethyldioxirane at low temperature. ¹H NMR of the cyclic bis-thiosulfinate revealed the presence of four isomers, two couples of stereoisomers, as expected from the insertion of two oxygen atoms in this compound, one on each disulfide bond. The two couples of cis/trans isomers were separated by preparative TLC and identified after alkaline cleavage of the two S(O)-S bonds and metalation with Ni(II). As HO⁻ attack is selective for the sulfinyl sulfur, the nature of the Ni complexes obtained is a signature of each couple of stereoisomers.     

Potent New Heterogeneous Asymmetric Catalysts

A set of new, air‐stable, Rh^I‐based heterogeneous asymmetric hydrogenation catalysts have been synthesised, characterised, and tested. Individual members of this new family all exhibit good enantioselectivity.     

Tunable narrow-band infrared emitters from hexagonal lattices

In this work, we present both the theoretical basis as well as supporting experimental measurements for development of a novel mid-infrared thermally stimulated narrow band emitter with a spectral bandwidth of less than 10%. To achieve this, we utilize a metallized-surface 2D photonic crystal of air voids in a silicon background with hexagonal structure symmetry. Our results are based on the generation of discrete surface plasmon (SP) modes in the thin metallized layer residing on the top surface. This yields a series of adequately spaced discrete peaks in the reflection spectrum, dominated by a single sharp feature corresponding to the lowest plasmon order, in an otherwise uniform highly reflective spectrum (>90%) over most of the IR spectrum. This, in turn, gives rise to a sharp absorption feature with a correspondingly narrow thermal emission peak in the emission spectrum. Transfer matrix calculations simulate well both the position and strengths of the absorption peaks. By altering the period of the surface photonic lattice, the SP peak and emissive band can be tuned to the desired wavelength. These devices promise a new class of tunable infrared emitters with high power in a narrow spectral bandwidth. Such narrow band sources are critical to achieving high efficiency gas sensors.     

A fictitious domain approach to the numerical solution of PDEs in stochastic domains

We present an efficient method for the numerical realization of elliptic PDEs in domains depending on random variables. Domains are bounded, and have finite fluctuations. The key feature is the combination of a fictitious domain approach and a polynomial chaos expansion. The PDE is solved in a larger, fixed domain (the fictitious domain), with the original boundary condition enforced via a Lagrange multiplier acting on a random manifold inside the new domain. A (generalized) Wiener expansion is invoked to convert such a stochastic problem into a deterministic one, depending on an extra set of real variables (the stochastic variables). Discretization is accomplished by standard mixed finite elements in the physical variables and a Galerkin projection method with numerical integration (which coincides with a collocation scheme) in the stochastic variables. A stability and convergence analysis of the method, as well as numerical results, are provided. The convergence is “spectral” in the polynomial chaos order, in any subdomain which does not contain the random boundaries.     

What are We Developing? A Case Study of a College Mathematics Program

Over one‐third of all college mathematics enrollments are in courses considered to be developmental. While such courses have been the subject of a large body of research, one question that seems not to have been studied empirically is the alignment of the content of developmental and college level mathematics courses. This paper gives the results of such a study, conducted at a medium sized public liberal arts university. While the content of the developmental mathematics courses was used subsequently in the Precalculus course, most of the content of the Intermediate Algebra course was not used in other college level mathematics courses. It is hoped that the results of this paper will serve as a catalyst for other institutions to examine carefully and define the mission of both their developmental and college level mathematics courses.     

Translation planes of large dimension admitting nonsolvable groups

In this article, the question is considered whether there exist finite translation planes with arbitrarily small kernels admitting nonsolvable collineation groups. For any integerN, it is shown that there exist translation planes of dimension >N and orderq ³ admittingGL(2,q) as a collineation group.     

Quantitative Impact of a Cognitive Modeling Intelligent Tutoring System on Student Performance in Balancing Chemical Equations

The need for improved interactive tutoring capabilities in educational software for chemistry problem solving is an important one clearly articulated by teachers and students. To deliver the next generation of individualized interactive capabilities users demand, it is necessary to go beyond the conventional computer-assisted instruction methodology. The focus of this paper is the assessment with first-semester general chemistry students of a recently developed artificial intelligence (AI) tutor for balancing chemical equations. This is the first such assessment of an AI-based learning tool in chemistry. Students in CHEM 121 in the Fall 2001 semester at Duquesne University (N = 273) participated in the study. Students were divided into a test group that used the AI tutor as part of their study activities and a control group that did not use the tutor. It was found that the tutor improved the performance of the test group students to a statistically significant degree, helping the weakest students the most. This study establishes the feasibility of an AI-based approach to creating advanced new tutoring software for chemistry problem solving. Access to a Web-based demonstration of the equation-balancing tutor may be obtained by emailing the corresponding author.     

A graph-theoretic approach to modeling metabolic pathways

Summary The metabolic pathways of medazepam, oxazepam, and diazepam were modeled using graph-theoretic transforms which are incorporable into computer-assisted metabolic analysis programs. The information, represented in the form of a graph-theoretic transform kit, which was obtained from these pathways was then used to predict the metabolites of other benzodiazepine compounds. The transform kits gave statistically significant predictions with respect to a statistical method for evaluating the performance of the transform kits.