Systematic design of single-mode coupled-resonator optical waveguides in photonic crystals

By establishing a direct relation between the dispersion and the field profile of a coupled-resonator optical waveguide (CROW) and those of its constituent cavities, we present a systematic method for the design of a single-mode CROW and for control of its dispersion. The procedure includes the design of a single-mode cavity and control of its frequency by engineering its structure. Then, by chaining these cavities in the proper direction and at an appropriate distance, we achieve the desired dispersion for the CROW.     

Application of MCM‐41‐SO3H as an Advanced Nanocatalyst for the Solvent Free Synthesis of Pyrano[3,2‐c]pyridine Derivatives

MCM‐41‐SO₃H, an ordered mesoporous silica material in which MCM‐41 with covalently anchored sulfonic acid groups was used as an acidic catalyst for the rapid and ‘green’ synthesis of pyrano[3,2‐c]pyridine derivatives under solvent‐free conditions. Reusability of the catalyst, high yields, short reaction times, simplicity and easy workup are advantages of this novel synthetic procedure compared to the conventional methods reported in the literature.     

Ab initio molecular dynamics simulation of ionic liquids

Ab initio Car-Parinnello molecular dynamics is used to simulate the structure and the dynamics of 1-butyl-3-methylimidazolium iodide ([bmim]I) ionic liquid at 300 K. Site-site pair correlation functions reveal that the anion has a strong interaction with any three C-H's of the imidazolium ring. The ring bends over and wraps around the anion such that the two nitrogen atoms take a distance to the anion. Electron donating butyl group contributes the electronic polarization in addition to geometrical (out-of-plane) polarization of the ring due to the liquid environment. This facilitates bending of the ring along the axis passing through nitrogen atoms. The average bending angle depends largely on the alkyl chain length and slightly on the anion type. Redistribution of electron density over the ring caused by the electron donating alkyl group provides additional independent evidence to the instability of lattice structure, hence the low melting point of the ionic liquid. Simulated viscosity and diffusion coefficients of [bmim]I are in quite agreement with the experiments.     

Use of adsorptive square-wave anodic stripping voltammetry at carbon paste electrode for the determination of amlodipine besylate in pharmaceutical preparations

The antihypertensive drug amlodipine has been characterized voltammetrically in a carbon paste electrode by means of anodic stripping voltammetry. An adsorptive stripping method in a carbon paste electrode for trace determination of amlodipine has been described. Cyclic voltammetric studies indicated the oxidation of amlodipine besylate at the electrode surface through a single two-electron irreversible step fundamentally controlled by adsorption. A study of the variation in the peak current with solution variables such as pH, ionic strength, concentration of amlodipine, possible interference, and instrumental variables, such as preconcentration time and accumulation potential, has resulted in the optimization of the oxidation signal for analytical purposes. By anodic adsorptive anodic stripping voltammetry, the calibration plot was linear in the range 9.9 × 10^?9 ? 1.4 × 10^?7 M with a detection limit of 2 × 10^?10 M in a carbon paste electrode at pH 11.0. The procedure was successfully applied to the assay of amlodipine besylate in some commercial products in the market (Amlopres®, Amlodipine, and Norvasc®). The percentage recoveries were in agreement with those obtained by the reference method.     

Heterostructural coaxial nanotubes of CNT@Fe<Subscript>2</Subscript>O<Subscript>3</Subscript> via atomic layer deposition: effects of surface functionalization and nitrogen-doping

This study attempted to synthesize one-dimensional (1D) coaxial nanotubes of Fe₂O₃ based on carbon nanotubes (CNT@Fe₂O₃) via atomic layer deposition (ALD) using ferrocene and oxygen as precursors. Results disclosed that undoped CNTs were suitable for the ALD of Fe₂O₃ (ALD-Fe₂O₃) only if they were chemically functionalized, due to their inert surface nature. It was further demonstrated that the effects of both covalent and non-covalent methodologies were limited in functionalizing undoped CNTs, leading to random and non-uniform deposition of Fe₂O₃. In sharp contrast, it was found that, as an alternative, nitrogen-doped CNTs (N-CNTs) contributed uniform and tunable ALD-Fe₂O₃, due to their active surface nature induced by incorporated N atoms. Consequently, various 1D heterostructural coaxial nanotubes were obtained with well-controlled growth of Fe₂O₃ on N-CNTs. For a better understanding, the underlying mechanisms were explored based on different N-doping configurations. In addition, high-resolution transmission electron microscopy and X-ray diffraction jointly demonstrated that as-deposited Fe₂O₃ is single-phase crystalline α-Fe₂O₃ (hematite). The as-synthesized heterostructural coaxial nanotubes of CNT@Fe₂O₃ may find great potential applications in photocatalysis, gas-sensing, and magnetic fields.     

Solid phase extraction of copper (II) by sorption on octadecyl silica membrane disk modified with a new Schiff base and determination with atomic absorption spectrometry

A simple, selective and reliable method for rapid extraction and determination of trace amounts of Cu (II) ions from aqueous samples using octadecyl-bonded silica membrane disks modified with bis-(3-methoxy salicylaldehyde)-1,6-diaminohexane and flame atomic absorption spectrometry (FAAS) is presented. Extraction efficiency, the influence of pH, flow rates, amount of ligand, and type and least amount of eluant were investigated. The linear dynamic range of the proposed method for Cu (II) ions was found in a wide concentration range of 1.0 (± 0.2)–150 (± 2) μg l^− 1. The detection limit and preconcentration factor of this method were found 30.0 (± 0.7) ng l^− 1 and 100 respectively. The reproducibility of the procedure is at the most 2.0%. The effects of various cationic interferences on the percent recovery of copper ion were studied. The method was used to the recovery of copper ion from different synthetic, alloys and biological samples.     

Numerical study of induction heating in melt growth systems—Frequency selection

A set of 2D finite element numerical simulation of induction heating process for an oxide Czochralski crystal growth system has been made for a range of f=1–100 kHz applied frequency of driving current. It was shown that the frequency selection has a marked effect in all basic induction phenomena, including electromagnetic field distribution, skin depth, coil efficiency, and intensity and structure of heating in the growth setup.     

Extended Lattice Boltzmann Model

Conventional lattice Boltzmann models for the simulation of fluid dynamics are restricted by an error in the stress tensor that is negligible only for small flow velocity and at a singular value of the temperature. To that end, we propose a unified formulation that restores Galilean invariance and the isotropy of the stress tensor by introducing an extended equilibrium. This modification extends lattice Boltzmann models to simulations with higher values of the flow velocity and can be used at temperatures that are higher than the lattice reference temperature, which enhances computational efficiency by decreasing the number of required time steps. Furthermore, the extended model also remains valid for stretched lattices, which are useful when flow gradients are predominant in one direction. The model is validated by simulations of two- and three-dimensional benchmark problems, including the double shear layer flow, the decay of homogeneous isotropic turbulence, the laminar boundary layer over a flat plate and the turbulent channel flow.     

Selected valence electron split-shell molecular orbital calculations on the diatomic interhalogen molecules

Selected valence electron split-shell molecular orbital calculations have been performed on the diatomic interhalogen molecules in order to obtain their binding energies, equilibrium internuclear distances, vibrational force constants, dipole moments and nuclear quadrupole coupling constants. The results are compared with the corresponding closedshell values and with those of some previous semiempirical and nonempirical all valence electron calculations. It is observed that the selected valence electron split-shell molecular orbital method which involves the least amount of computations yields results in better agreement with experiment than other methods.