Redox Amination Scope of Benzylic Ketones with Indoline: Synthetic and Mechanistic Insights

Bi(NO₃)₃·5H₂O‐Catalyzed redox amination scope and mechanistic insights of benzylic ketones with indoline are discussed. The experimental results demonstrate that the formation of N‐alkyl‐substituted indole/indoline derivatives over typically competitive redox and reductive amination processes is depending upon the reaction condition for the benzylic ketones.     

Displacement field around a circular hole in a viscoelastic plate

Moiré experimental techniques are used to measure displacement fields in viscoelastic plates undergoing large deformations at elevated temperatures. These experimental procedures are applicable to determining displacement fields in nonlinear materials. As preliminary information, the material properties are determined from creep studies. The moiré method is used to determine the strains under constant load and isothermal conditions. Tests are conducted for several combinations of load and temperature for 2.5 decades of time. Assuming thermorheologically simple behavior, the data are shifted to establish the creep extensional compliance over ten decades in time. The constitutive equations are formulated as integral equations, the kernels of which are the functions that were measured in this work. These equations are solved exactly for the infinitesimal case. The finite case is then approximated by an incremental superposition of a series of successiye infinitesimal solutions. The results are applied to a plate initially containing a circular hole, and are shown to agree closely with the experimental measurements.     

A class of similarity solutions for radial motions of compressible hyperelastic spheres and cylinders

A class of similarity solutions is obtained for radial motions of spherical and cylindrical bodies made of a certain type of compressible hyperelastic materials. The equations satisfied by the infinitesimal generators of the symmetry group of the unified governing first order field equations for spheres and cylinders are found. It is shown that these equations admit a special class of solutions which generate a five-parameter group of transformations. The form of the strain energy function corresponding to the resulting symmetry group is evaluated. The similarity variable is determined and ordinary differential equations satisfied by similarity solutions are obtained. Numerical solutions are given for a Ko material which falls into the class of admissible materials.     

Temperature dependence of nuclear magnetization and relaxation

The temperature dependences of nuclear magnetization and relaxation rates are reviewed theoretically and experimentally in order to quantify the effects of temperature on NMR signals acquired by common imaging techniques. Using common sequences, the temperature dependences of the equilibrium nuclear magnetization and relaxation times must each be considered to fully understand the effects of temperature on NMR images. The temperature dependence of the equilibrium nuclear magnetization is negative because of Boltzmann's distribution for all substances at all temperatures, but the combined temperature dependences of the equilibrium magnetization and relaxation can be negative, weak or positive depending on the temperature (T), echo time (T(E)), repetition time (T(R)), and the temperature dependences of the relaxation times T(1)(T) and T(2)(T) in a pulse sequence. As a result, the magnitude of the NMR signal from a given substance can decrease, increase or stay somewhat constant with increasing temperature. Nuclear thermal coefficients are defined and predictions for spin echo and other simple sequences are verified experimentally using a number of substances representing various thermal and NMR properties.     

An almost second order uniformly convergent scheme for a singularly perturbed initial value problem

In this paper a nonlinear singularly perturbed initial problem is considered. The behavior of the exact solution and its derivatives is analyzed, and this leads to the construction of a Shishkin-type mesh. On this mesh a hybrid difference scheme is proposed, which is a combination of the second order difference schemes on the fine mesh and the midpoint upwind scheme on the coarse mesh. It is proved that the scheme is almost second-order convergent, in the discrete maximum norm, independently of singular perturbation parameter. Numerical experiment supports these theoretical results.     

The flow due to a porous sphere embedded in a pure straining motion

Résumé Dans le présent travail on étudie les mouvements stationnaires lents d'un fluide visqueux en présence d'une sphère poreuse. Les mouvements considérés sont l'écoulement en présence d'une sphère poreuse dans une translation uniforme, dans une rotation uniforme, et dans un mouvement de déformation pure. On donne aussi une expression pour la viscosité de suspension des sphères poreuses. Elle montre que la viscosité de suspension des sphères poreuses est plus petite que celle des sphères rigides.     

Generalized couette flow of a dipolar fluid between two parallel plates

Résumé Dans ce travail, on présente une solution du problème de l'écoulement d'un fluide dipolaire entre deux plaques parallèles, dont l'une est en mouvement et l'autre fixe, en présence d'un gradient de pression. On trouve qu'il n'y a pas d'effet dipolaire sur l'écoulement si le gradient de pression n'est pas appliqué, et que pour un fluide dipolaire avec =0, étant le rapport entre l'espace des deux plaques et la constante dipolaire du fluide, le profil de vitesse n'est pas affecté par le gradient de pression.     

Structural and Dielectric Properties of Polythiophene/Chrom(III) Acetylacetonate Composites

The dielectric and morphological properties of polythiophene (PT) filled with various mass fractions of chrom(III) acetylacetonate (Cr(acac)₃), synthesized via chemical oxidative polymerization, are described. Significant shifts of the absorption peak of the C-S bond in the Fourier transform infrared (FT-IR) spectra indicated that the metal cations mostly interacted with sulfur atoms. Thermal analyses performed by differential scanning calorimetry (DSC) indicated that the cold crystallization temperature (T_cc) of PT decreased with increasing doping level. Microstructural differences were observed between PT and its composites in scanning electron microscopy (SEM) images. Dielectric measurements showed that the conductivity of the PT significantly increased with increasing doping level, from ?10^?7 S/m to ?10^?4 S/m at 10 kHz and 300 K.     

A periodic DFT study of water and ammonia adsorption on anatase TiO2 (001) slab

Water and ammonia adsorption mechanisms on anatase TiO₂ (001) slab surface are investigated by means of periodic DFT approach. Molecular and dissociative adsorption energies for water are calculated to be ? 15 kcal/mol and ? 32 kcal/mol, respectively. Similarly, molecular and dissociative adsorption energies of ammonia on the same surface are found as ? 25 kcal/mol and ? 20 kcal/mol. A reverse result in this order is reached for the previous case of ONIOM cluster study (? 23 kcal/mol and ? 37 kcal/mol, respectively). The vibration frequency values are computed for the optimized geometries of adsorbed water and ammonia molecules on anatase TiO₂ (001) slab surface and compared with the values reported in the literature.     

Self polarization in GaAs–(Ga, Al)As quantum well wires: electric field and geometrical effects

The response of an electron to an external electric field in different shapes of infinite quantum well wires has been investigated. The self-polarization effect which can be defined as the influence of the barrier potential on the impurity electron is studied for the quantum well wire of square, rectangular and cylindrical cross-sections. An external electric field vanishes due to the self-polarization effect has been calculated. It is shown that the self-polarization effect outside of the center depends on both the geometrical form of the wire and the impurity position in the same structure.