Computational NQR study of a boron nitride nanocone

Abstract  

The electronic structure of a boron nitride nanocone with 240° disclination, and some properties that derive from this structure, were studied by density-functional theory calculations. In the considered model there are only hexagonal rings, with the apex and mouth of the nanocone saturated by hydrogen atoms. The model was optimized, and then the nuclear quadrupole resonance parameters were calculated at the sites of ¹¹B and ¹⁴N nuclei. The results revealed that the nuclei in the boron nitride nanocone are divided into layers with similar electronic properties. The nuclei at the apex and mouth are very important for the electronic behavior of the nanocone, with ¹¹B playing the major role.     

Potentiometric PVC membrane sensor for the determination of phenylephrine hydrochloride in some pharmaceutical products

A new PVC membrane electrode for the determination of phenylephrine hydrochloride based on the formation of an ionassociation complex of phenylephrine hydrochloride with the phosphotungstate counter anion as an electroactive material dispersed in a PVC matrix is described. The sensor shows a fast, stable, near-Nernstian response for 1.0 × 10^?5 to 1.0 × 10^?1 M phenylephrine hydrochloride at 25 °C over the pH range of 3.5–8.0 with a cationic slope of 58.1 ± 0.6 mV decade^?1. The electrode was successfully used for potentiometric determination of phenylephrine hydrochloride in some pharmaceutical drugs.     

Synthesis of 5-aryl-1,3-dimethyl-6-(alkyl- or aryl-amino) furo [2,3-d]pyrimidine derivatives by reaction between isocyanides and pyridinecarbaldehydes in the presence of 1,3-dimethylbarbituric acid

5-Aryl-6-(alkyl- or aryl-amino)-1,3-dimethylfuro [2,3-d]pyrimidine derivatives were obtained by in situ reaction alkyl or aryl isocyanides and pyridinecarbaldehyde derivatives in the presence of 1,3-dimethylbarbituric acid in dichloromethane without any prior activation or modifications.     

Ion-acoustic waves in plasma of warm ions and isothermal electrons using time-fractional KdV equation

The ion-acoustic solitary wave in collisionless unmagnetized plasma consisting of warm ions-fluid and isothermal electrons is studied using the time fractional KdV equation. The reductive perturbation method has been employed to derive the Korteweg-de Vries equation for small but finite amplitude ion-acoustic wave in warm plasma. The Lagrangian of the time fractional KdV equation is used in a similar form to the Lagrangian of the regular KdV equation with fractional derivative for the time differentiation. The variation of the functional of this Lagrangian leads to the Euler-Lagrange equation that gives the time fractional KdV equation. The variational-iteration method is used to solve the derived time fractional KdV equation. The calculations of the solution are carried out for different values of the time fractional order. These calculations show that the time fractional can be used to modulate the electrostatic potential wave instead of adding a higher order dissipation term to the KdV equation. The results of the present investigation may be applicable to some plasma environments,such as the ionosphere plasma.     

EPR Studies of Tl0.5Pb0.5Sr1.6Ba0.4CaCu2?xRuxO7?δ Superconductor

Bulk superconducting samples of type Tl_0.5Pb_0.5Sr_1.6Ba_0.4CaCu_2−x Ru _x O_7−δ, (Tl, Pb)/Sr-1212, with 0.0 ≤ x ≤ 0.525 were prepared by the conventional one-step solid-state reaction technique. The prepared samples were investigated using X-ray powder diffraction, electrical resistivity and electron paramagnetic resonance (EPR) measurements. Enhancement of the phase formation, superconducting transition temperature T _c and hole carriers concentration P was observed up to x = 0.075. For x > 0.075, a reverse trend was observed. EPR spectra were measured at different temperatures (120–290 K) for all prepared samples. The number of spins N participating in the resonance and the paramagnetic susceptibility χ were calculated as a function of both Ru-content and temperature. N and χ increased as the Ru-content increased. A linear relationship between logN and 1/T was established, from which the activation energy E _a was calculated as a function of the Ru-content. The temperature dependence of χ was fitted according to Curie–Weiss type of magnetic behavior. Curie constant C, Curie temperature θ, the effective magnetic moment μ and the electronic specific heat γ were estimated as a function of the Ru-content.     

Laser based fabrication of chitosan mediated silver nanoparticles

We report fabrication of silver nanoparticles (Ag NPs) by laser ablation technique in different concentrations of aqueous chitosan solution. The ablation process of silver plate was carried out by using a nanosecond Q-switched Nd:YAG pulsed laser and the characterization of Ag NPs was done by Transmission electron microscopy, UV-Vis spectroscopy, and X-ray diffraction. UV-visible plasmon absorption spectra revealed that the formation efficiency as well as the stability of nanoparticles was increased by addition of chitosan. On the other hand, the size decrement of nanoparticles was more remarkable in the higher chitosan concentration.     

Numerical solution of volterra functional integral equation by using cubic B‐spline scaling functions

In this article, we consider a class of nonlinear functional integral equations which has rather general form and contains a lot of particular cases such as functional equations and nonlinear integral equations of Volterra type. We use a combination of a fixed point method and cubic semiorthogonal B‐spline scaling functions to solve the integral equation numerically. We provide an error analysis for the method which shows that the approximate solution converges to the exact solution. Some numerical results for several test problems are given to confirm the accuracy and the ease of implementation of the method. © 2013 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 30: 699–722, 2014