Crystal structure of the 4-chromanone derivative.

The title compound was extracted from a natural product and its structure was characterized by an X-ray diffraction method. It crystallizes in the tetragonal space group P41 with cell parameters a = 15.832(10)A, c = 11.622(10)A, Z = 4; the final residual factor is R1 = 0.0769. The structure has both intra and intermolecular hydrogen bonds.     

Indexing Distributions of Data: Preservice Teachers' Notions of Representativeness

The purpose of the study was to identify strategies used by preservice elementary teachers to index distributions of data. A secondary purpose of the study was to investigate whether representational form influenced the type of representative values constructed. Two hundred eighty‐three preservice teachers were administered a selection of tasks requiring them to construct representative values for a variety of distributional shapes. Participants were asked to provide justifications for their chosen representative measures. Data were analyzed from two perspectives: nature and adequacy of representative measure. Results indicated that when presented with skewed data sets, over half of the participants constructed poorly representative values. Symmetric data sets were best indexed with 67% of participants constructing highly representative values. Representational form played a significant role in determining representative values. Data presented graphically were more likely to be represented using measures of variability than were those presented nongraphically. Conversely, measures of central tendency were more frequently used to represent nongraphical data. The information arising from this study indicates that many preservice teachers construct poorly representative values to index data sets and utilize identical measures of representativeness regardless of distributional shape. The findings of the study highlight the need for exploratory data activities at the preservice level, call for provision of experiences affording insights into construction of representative values, and thus, have implications for the design of preservice mathematics education curricula.     

Three-dimensional structure of Saccharomyces cerevisiae inorganic pyrophosphatase complexed with cobalt and phosphate ions

Crystals of Saccharomyces cerevisiae inorganic pyrophosphatase suitable for X-ray diffraction study were grown by cocrystallization of the enzyme with cobalt chloride and imidodiphosphate. Saccharomyces cerevisiae is a metal-dependent enzyme which catalyzes hydrolysis of inorganic pyrophosphate to orthophosphate. The three-dimensional structure of this enzyme was solved by the molecular-replacement method and refined at 1.8 Å resolution to an R factor of 19.5%. Cobalt and phosphate ions were revealed in the active centers of both identical subunits (A and B) of the pyrophosphatase molecule. In subunit B, a water molecule was found between two cobalt ions. It is believed that this water molecule acts as an attacking nucleophile in the enzymatic cleavage of the pyrophosphate bond. It was demonstrated that cobalt ions and a phosphate group occupy only part of the potential binding sites (two chemically identical and crystallographically independent subunits have different binding sites). The arrangement of ligands and the structure of the nucleophile-binding site are discussed in relation to the mechanism of action of the enzyme and the nature of the metal activator.     

Transition flow of rarefied gases: Current models and methods of simulation

Transition (molecular-viscous) isothermal channel flow of rarefied gases is considered. Present-day engineering physical models of transition gas flow and methods of simulation are analyzed and verified in terms of the kinetic theory on the micro-and macrolevels.     

Computation of confined coflow jets with three turbulence models

A numerical study of confined jets in a cylindrical duct is carried out to examine the performance of two recently proposed turbulence models: an RNG-based K-? model and a realizable Reynolds stress algebraic equation model. The former is of the same form as the standard K-? model but has different model coefficients. The latter uses an explicit quadratic stress-strain relationship to model the turbulent stresses and is capable of ensuring the positivity of each turbulent normal stress. The flow considered involves recirculation with unfixed separation and reatachment points and severe adverse pressure gradients, thereby providing a valuable test of the predictive capability of the models for complex flows. Calculations are performed with a finite volume procedure. Numerical credibility of the solutions is ensured by using second-order-accurate differencing schemes and sufficiently fine grids. Calculations with the standard K-? model are also made for comparison. Detailed comparisons with experiments show that the realizable Reynolds stress algebraic equation model consistently works better than does the standard K-? model in capturing the essential flow features, while the RNG-based K-? model does not seem to give improvements over the standard K-? model under the flow conditions considered.     

Vibrational control of crystal growth from liquid phase

Modeling and numerical simulations of the convective flows induced by the vibration of the monocrystal during crystal growth have been performed for two configurations simulating the Cz and FZ methods. This permitted to emphasize the role of different vibrational mechanisms in the formation of the average flows. It is shown that an appropriate combination of these mechanisms can be used to counteract the usual convective flows (buoyancy- and/or thermocapillary-driven) inherent to crystal growth processes from the liquid phase. While vibrational convection is rather complex due to these identified mechanisms, the new modeling used in the present paper opens up very promising perspectives to efficiently control heat and mass transfer during real industrial applications of crystal growth from the liquid phase.     

Pseudo-Strong Regularity Around a Set

A generalization of strong regularity around a vertex subset C of a graph Γ, which makes sense even if Γis non-regular, is studied. Such a structure appears, together with a kind of distance-regularity around C , when an spectral bound concerning the so-called predistance polynomial of C is attained. As a main consequence of these results, it is shown that a regular (connected) graph Γwith d + 1 distinct eigenvalues is distance-regular, and its distance- d graph Γ d is strongly regular with parameters a = c , if and only if the number of vertices at distance d from each vertex satisfies an expression which depends only on the order of Γand the different eigenvalues of Γ.     

Electron-transfer kinetics and activation barriers for the reductions of nitrosonium and nitronium ions in aprotic solvents

Using the cyclic voltammetry (CV), the electron-transfer kinetics for the reductions of NO⁺ and NO₂⁺ cations have been studied at the Pt electrode in nitromethane, sulfolane, and propylene carbonate. The heterogeneous rate constants have been determined by two independent procedures from the transfer coefficient α, the diffusion coefficient D, from a detailed examination of the CV-peak separations, and from an inspection of the values of the cathodic peak potentials at different scan rates. The results have been compared to those reported in the literature, and discussed. In the classical model, outer-sphere electron-transfer reactions are considered subject to an activation energy arising from solvent reorganization and bond reorganization processes. The solvent and molecular reorganizational barriers for these electroreductions have been assessed in aprotic media. The Marcus-Hush theory has been applied to the self-exchange reactions of the NO₂⁺/NO₂ and NO⁺/NO couples in an attempt to predict the rate of electron transfer. The findings indicate some improvement between theory and experiment. However, it should be noted that the experimental values of k_s found for the NO₂⁺ reduction in the solvents used are still too high in comparison with those determined theoretically. In view of the fairly strong coordination of the solvent molecule(s) as ligand(s) to NO₂⁺ and NO⁺ cations, we believe that such discrepancies should stem, to some extent, from the involvement of an inner-sphere pathway by generation of an activated complex on the surface of the Pt electrode. © 1993 John Wiley & Sons, Inc.