Synthesis of 1-amidoalkyl-2-naphthol derivatives using a magnetic nano-Fe3O4@SiO2@Hexamethylenetetramine-supported ionic liquid as a catalyst under solvent-free conditions

Hexamethylenetetramine-functionalized silica-coated nano-Fe₃O₄ particles (MNPs@Hexamethylenetetramine) were prepared as a reusable heterogeneous catalyst using a facile process. The catalyst was synthesized and characterized using infrared, X-ray diffraction, scanning electron microscopy, thermogravimetric analysis, and vibrating sample magnetometer. This magnetic nanocatalyst was employed as an efficient, reusable, and environmentally benign heterogeneous catalyst for the synthesis of amidoalkylnaphthol derivatives from a one-pot three-component condensation reaction of beta-naphthol, aldehydes, and amides in good to excellent yields, Moreover, this catalyst can be easily recovered by using a magnetic field and directly reused for at least seven runs without sign ificant loss of its activity.     

Integer quantum Hall effect in Kekulé-patterned graphene

Y-shaped Kekulébond textures in a honeycomb lattice on a graphene-copper superlattice have recently been experimentally revealed.In this paper,the effects of such a bond modulation on the transport coefficients of Kekulé-patterned graphene are investigated in the presence of a perpendicular magnetic field.Analytical expressions are derived for the Hall and longitudinal conductivities using the Kubo formula.It is found that the Y-shaped Kekulébond texture lifts the valley degeneracy of all Landau levels except that of the zero mode,leading to additional plateaus in the Hall conductivity accompanied by a split of the corresponding peaks in the longitudinal conductivity.Consequently,the Hall conductivity is quantized as±ne²/h for n=2,4,6,8,10,...,excluding some plateaus that disappear due to the complete overlap of the Landau levels of different cones.These results also suggest that DC Hall conductivity measurements will allow us to determine the Kekulébond texture amplitude.     

Simulating pedestrian flow through narrow exits

Introduction: The flow of pedestrians through narrow doorways is one of the most common features of crowd motions and evacuations. It is particularly an important aspect of pedestrian simulations models since their accuracy depends highly on their ability to produce realistic exit flow rates. The problem has been extensively studied in the literature, but many aspects of it have remained controversial with mixed (and often contradictory) evidence emerging from different studies and different methods. Methods: We discuss the significance of parameter calibration for accurate simulation of pedestrian flow through narrow exits using social force model. Based on sensitivity analyses, we show how simulated exit throughput rate can vastly differ by changing the value of certain parameters. We identify the two parameters that are most critical, and then calibrate them based on a set of experimental observations (at macro level). Using these calibrated parameters, we then re-examine three fundamental questions related to pedestrian flow at bottlenecks, (1) the relation between desired velocity and simulated egress time; (2) the effect of barricade at exits; and (3) the effect of exit in the corner versus the middle. Results: Our numerical analyses showed that, with the calibrated parameters, increasing the desired velocity in the social-force model results in monotonically shorter egress times (at a marginal rate that rapidly diminishes as the desired velocity increases). We showed that placing a panel-like barricade at exit can facilitate the outflow and reduces the egress time, but its effect depends on the widths of exit, as well as the size of the barricade and its distance to exit. We show that the positioning the exit in the corner is also effective in terms of reducing egress time, but only for very narrow exits. The benefit diminishes quickly as the exit becomes wider. Applications: These outcomes demonstrated the significance of parameter calibration for accurate simulation of crowd flows. The findings may also help to identify simple modifications that can facilitate crowd flows at narrow bottlenecks.     

Reliability assessment of different plate theories for elastic wave propagation analysis in functionally graded plates

The importance of elastic wave propagation problem in plates arises from the application of ultrasonic elastic waves in non-destructive evaluation of plate-like structures. However, precise study and analysis of acoustic guided waves especially in non-homogeneous waveguides such as functionally graded plates are so complicated that exact elastodynamic methods are rarely employed in practical applications. Thus, the simple approximate plate theories have attracted much interest for the calculation of wave fields in FGM plates. Therefore, in the current research, the classical plate theory (CPT), first-order shear deformation theory (FSDT) and third-order shear deformation theory (TSDT) are used to obtain the transient responses of flexural waves in FGM plates subjected to transverse impulsive loadings. Moreover, comparing the results with those based on a well recognized hybrid numerical method (HNM), we examine the accuracy of the plate theories for several plates of various thicknesses under excitations of different frequencies. The material properties of the plate are assumed to vary across the plate thickness according to a simple power-law distribution in terms of volume fractions of constituents. In all analyses, spatial Fourier transform together with modal analysis are applied to compute displacement responses of the plates. A comparison of the results demonstrates the reliability ranges of the approximate plate theories for elastic wave propagation analysis in FGM plates. Furthermore, based on various examples, it is shown that whenever the plate theories are used within the appropriate ranges of plate thickness and frequency content, solution process in wave number-time domain based on modal analysis approach is not only sufficient but also efficient for finding the transient waveforms in FGM plates.     

Ni(II) and V(IV) Schiff base complexes derived from 2,2′-dimethylpropandiamine: the crystal structure,electrochemical properties and catalytic activities in oxidation of sulfides

Tetradentate Schiff base (H₂L) derived from 2,2′-dimethylpropandiamine and its nickel(II) and oxo-vanadium(IV) complexes (NiL, VOL) have been prepared and characterized. The crystal structure of NiL has been determined. The reported structure contains two molecules of the complex revealing slightly different conformation and the coordination sphere around nickel is distorted square planar. The electrochemical properties of the Ni and oxo-vanadium Schiff base complexes were investigated in CH₃CN by cyclic voltammetry. The catalytic activities of the complexes were studied in the oxidation of sulfides in ethanol. Under the optimized reaction conditions, in the presence of NiL, 89% and VOL, 100% conversion of methyl phenyl sulfide with 100% selectivity for sulfoxide were obtained.     

Preparation of Carvedilol Nanoparticles by Emulsification Method and Optimization of Drug Release: Surface Response Design Versus Genetic Algorithm

The objectives of this research were the production of Eudragit nanoparticles of carvedilol, an anti-hypertension drug, for enhancement of its absorption and optimization of drug release. Nanoparticles were prepared by emulsification-solvent evaporation or diffusion methods. The statistical surface response design, based on the Box-Behnken model, was applied to evaluate the effect of four variables, each in two levels, on specifications of nanoparticles. An intelligent modeling system was established according to genetic algorithm to predict drug release from the nanoparticles. The neural network-genetic algorithm model showed a more precise method than surface response design in the prediction of the release properties of carvedilol from Eudragit nanoparticles.     

Metastable Kitaev Magnets

Nearly two decades ago, Alexei Kitaev proposed a model for spin-1/2 particles with bond-directional interactions on a two-dimensional honeycomb lattice which had the potential to host a quantum spin-liquid ground state. This work initiated numerous investigations to design and synthesize materials that would physically realize the Kitaev Hamiltonian. The first generation of such materials, such as Na2IrO3, α-Li2IrO3, and α-RuCl3, revealed the presence of non-Kitaev interactions such as the Heisenberg and off-diagonal exchange. Both physical pressure and chemical doping were used to tune the relative strength of the Kitaev and competing interactions; however, little progress was made towards achieving a purely Kitaev system. Here, we review the recent breakthrough in modifying Kitaev magnets via topochemical methods that has led to the second generation of Kitaev materials. We show how structural modifications due to the topotactic exchange reactions can alter the magnetic interactions in favor of a quantum spin-liquid phase.