Fourth‐ and tenth‐order compact finite difference solutions of perturbed circular vortex flows

In this study, high‐order compact finite difference calculations are reported for 2D unsteady incompressible circular vortex flow in primitive variable formulation. The fourth‐order Runge–Kutta temporal discretization is used together with fourth‐ or tenth‐order compact spatial discretization. Dependent on the perturbation initially imposed, the solutions display a tripole, triangular or square vortex. The comparison of the predictions with the detailed spectral calculations of Kloosterziel and Carnevale (J. Fluid Mech. 1999; 388 :217–257) shows that the vorticity fields are very well captured. The spectral resolution of the present method was quantified from the decomposition of the vorticity distribution in its azimuthal components and compared with reported spectral results. Using identical grid resolution to the reference results yields negligible differences in the main features of the flow. The perturbation amplitude and its first harmonic are virtually identical to the reference results for both fourth‐ or tenth‐order spatial discretization, as theoretically expected but seldom a posteriori verified. The differences between the two spatial discretizations appear only for coarser grids, favouring the tenth‐order discretization. Copyright © 2005 John Wiley & Sons, Ltd.     

Submillimeter infrared absorption and chain conformations of poly(vinylidene fluoride) and copolymers. II. Phase transition analysis

Absorption spectra, and hence the dielectric properties, of poly(vinylidene fluoride-tri-fluoroethylene) copolymers have been obtained by far infrared spectroscopy in the frequency range 15–55 cm^?1. We have studied the evolutions of the absorption coefficient and imaginary part of the dielectric constant as a function of poling field and copolymer composition. During the phase transition from form II to form I, the whole absorption presents a strong increase. This behavior is explained by polarizability changes at phase transition.     

Finite systems,fractional Fourier transforms and their finite phase spaces

Various harmonic oscillator models define — in a sense to be explained here — fractional Fourier transforms (up to a phase). The fractionalization of the Fourier integral transform is well understood; the finite case is less. There are several discrete and finite oscillator models that contract to the continuous, integral model. The Ankara model can be thought as a ring of point masses joined by springs to their equilibrium positions and to each other; the Cuernavaca model uses the su(2) algebra with a distinct physical interpretation. Presented at the International Colloquium “Integrable Systems and Quantum Symmetries”, Prague, 16–18 June 2005.     

Multicriteria integer programming: A (hybrid) dynamic programming recursive approach

Dynamic programming recursive equations are used to develop a procedure to obtain the set of efficient solutions to the multicriteria integer linear programming problem. An alternate method is produced by combining this procedure with branch and bound rules. Computational results are reported.     

Antioedematogenic activity,acetylcholinesterase inhibition and antimicrobial properties of Jacaranda oxyphylla

Jacaranda oxyphylla Cham. (Bignoniaceae) is a shrub found in the Brazilian cerrado and used in folk medicine to treat microbial infections. The aim of this study was to carry out a phytochemical screening and evaluate antioedematogenic, antimicrobial and antiacetylcholinesterase properties of J. oxyphylla crude extracts. All extracts analysed showed presence of terpenoids, which are potentially active chemical substances. A high AChE inhibitory activity for hexane extract from leaves and for the extracts from twigs was found. Ethanol extract from leaves of J. oxyphylla showed activity against Gram-positive (Staphylococcus aureus and Bacillus cereus) and Gram-negative (Escherichia coli) bacteria. This extract was also effective in inhibiting the stages of inflammation evaluated. Biological investigation and phytochemical screening of J. oxyphylla extracts provided additional evidence of its traditional medicinal value.     

Quantum scattering in one-dimensional systems satisfying the minimal length uncertainty relation

In quantum gravity theories, when the scattering energy is comparable to the Planck energy the Heisenberg uncertainty principle breaks down and is replaced by the minimal length uncertainty relation. In this paper, the consequences of the minimal length uncertainty relation on one-dimensional quantum scattering are studied using an approach involving a recently proposed second-order differential equation. An exact analytical expression for the tunneling probability through a locally-periodic rectangular potential barrier system is obtained. Results show that the existence of a non-zero minimal length uncertainty tends to shift the resonant tunneling energies to the positive direction. Scattering through a locally-periodic potential composed of double-rectangular potential barriers shows that the first band of resonant tunneling energies widens for minimal length cases when the double-rectangular potential barrier is symmetric but narrows down when the double-rectangular potential barrier is asymmetric. A numerical solution which exploits the use of Wronskians is used to calculate the transmission probabilities through the Pöschl–Teller well, Gaussian barrier, and double-Gaussian barrier. Results show that the probability of passage through the Pöschl–Teller well and Gaussian barrier is smaller in the minimal length cases compared to the non-minimal length case. For the double-Gaussian barrier, the probability of passage for energies that are more positive than the resonant tunneling energy is larger in the minimal length cases compared to the non-minimal length case. The approach is exact and applicable to many types of scattering potential.     

Chemoenzymatic preparation of nucleosides from furanoses

Chemoenzymatic preparation of ribose, deoxyribose and arabinose 5-phosphates was accomplished. These compounds were tested as starting materials in the enzymatic preparation of natural and modified purine and pyrimidine nucleosides, using an overexpressed Escherichia coli phosphopentomutase.     

Isotope correction of mass spectrometry profiles

Isotope correction of a profile is an important step in the analysis of mass spectrometry derived data. The problem is mathematically formulated as a system of linear equations which is general enough to include previous correction methods. For the solution of these equations when applied to the whole profile an efficient algorithm is developed. In experimental tests the resulting algorithm corrected the profile fast and successfully.     

Efficient H2-producing photocatalytic systems based on cyclometalated iridium- and tricarbonylrhenium-diimine photosensitizers and cobaloxime catalysts

Quantum yield values up to 16% under visible irradiation associated with high turnover frequencies ( approximately 50 h(-1)) and stability (up to 273 turnovers), characterize the new photocatalytic systems for hydrogen production, based on diimine derivatives of ruthenium, cyclometallated iridium or tricarbonylrhenium as photosensitizers and cobaloxime H2-evolving catalytic centers, which are among the most efficient molecular systems reported so far and compete with some platinum-based systems.