Theoretical stability,thin film synthesis and transport properties of the Mon +1GaCn MAX phase

The phase stability of Mo_{n +1}GaC_n has been investigated using ab‐initio calculations. The results indicate stability for the Mo₂GaC phase only, with a formation enthalpy of –0.4 meV per atom. Subsequent thin film synthesis of Mo₂GaC was performed through magnetron sputtering from elemental targets onto Al₂O₃ [0001], 6H‐SiC [0001] and MgO [111] substrates within the temperature range of 500 °C and 750 °C. High structural quality films were obtained for synthesis on MgO [111] substrates at 590 ºC. Evaluation of transport properties showed a superconducting behavior with a critical temperature of approximately 7 K, reducing upon the application of an external magnetic field. The results point towards the first superconducting MAX phase in thin film form. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

Note on new solutions of LR fuzzy linear systems using ranking functions and ABS algorithms

Recently, Ghanbari and Mahdavi-Amiri focused on solving LR fuzzy linear systems by use of ranking functions. They applied a ranking function introduced by Cheng, which is based on the centroid point, to illustrate their method. Also, they presented an important lemma using the centroid formulae provided by Cheng, to determine the centroid point for a class of fuzzy numbers. Unfortunately, they didn’t consider that the formulae are incorrect and have led to some misapplications as pointed out by Wang and his colleagues. Therefore, in this paper, we first show that Lemma 19 of Ghanbari and Mahdavi-Amiri’s paper is not true and then correct it using the centroid formulae suggested by Wang. Finally, we correct the results obtained in Ghanbari and Mahdavi-Amiri’s paper for a special example.     

Rapid,green, and catalyst-free one-pot three-component syntheses of 5-substituted 1<Emphasis Type="Italic">H</Emphasis>-tetrazoles in magnetized water

The catalyst-free multi-component reactions of aldehydes, malononitrile, and sodium azide at a relatively low temperature in magnetized water provided 5-substituted 1H-tetrazoles in high-to-excellent yields. This method offers the advantages of short reaction times, low costs, quantitative reaction yields, simple work-up, green, and no need for any organic solvent.     

A DFT study of hydrogen chemisorption on V (100) surfaces

In this study, hydrogen adsorption on the surface of vanadium at various positions (top, bridge, and central sites) was studied, and the binding energies of hydrogen species adsorbed on vanadium were calculated using density functional theory (DFT) within the generalized gradient approximation (GGA). The potential of the adsorption of hydrogen on vanadium was examined as a function of both surface coverage and adsorption site. Our results were in excellent agreement with the experimental values reported in the literature. The relative stabilities of hydrogen chemisorption were independent of both the transition metal surface and surface coverage. That is, hydrogen exhibited insignificant selectivity with respect to positions on the metal surface. Our data on H₂/V surface chemisorption revealed that the stablest model for hydrogen adsorption was that on the vertical bridge site. The adsorption energy for this model was lower than for the other sites. However, adsorption on bridge-hydrogen vacancies was strong.     

Spectrophotometric study of interaction and solubilization of procaine hydrochloride in micellar systems

The interaction of Procaine hydrochloride (PC) with cationic, anionic and non-ionic surfactants; cetyltrimethylammonium bromide (CTAB), sodium dodecyl sulfate (SDS) and triton X-100, were investigated. The effect of ionic and non-ionic micelles on solubilization of Procaine in aqueous micellar solution of SDS, CTAB and triton X-100 were studied at pH 6.8 and 29°C using absorption spectrophotometry. By using pseudo-phase model, the partition coefficient between the bulk water and micelles, K_x, was calculated. The results showed that the micelles of CTAB enhanced the solubility of Procaine higher than SDS micelles (K_x = 96 and 166 for SDS and CTAB micelles, respectively) but triton X-100 did not enhanced the solubility of drug because of weak interaction with Procaine. From the resulting binding constant for Procaine-ionic surfactants interactions (K_b = 175 and 128 for SDS and CTAB surfactants, respectively), it was concluded that both electrostatic and hydrophobic interactions affect the interaction of surfactants with cationic procaine. Electrostatic interactions have a great role in the binding and consequently distribution of Procaine in micelle/water phases. These interactions for anionic surfactant (SDS) are higher than for cationic surfactant (CTAB). Gibbs free energy of binding and distribution of procaine between the bulk water and studied surfactant micelles were calculated.      

Practical and efficient synthesis of tetrahydrobenzo[<Emphasis Type="Italic">b</Emphasis>]pyran using caffeine supported on silica as an ionic liquid solid acid catalyst

The new catalyst silica-caffeine hydrogen sulfate [SiO₂-caff.]HSO₄ was conveniently prepared from commercially available 3-chloropropyltriethoxysilane via immobilization on silica followed by reaction with caffeine. The catalyst prepared was then characterized by the FT-IR spectroscopy, TGA, EDX, and SEM techniques. It was found that this heterogeneous catalyst was a highly efficient one for the synthesis of tetrahydrobenzo[b]pyrans in good-to-high yields, and could be recovered by a simple filtration of the reaction solution and reused for five consecutive runs. The attractive features of this method are simple procedure, clean reaction, easy work-up, use of a reusable catalyst, and performing a multi-component reaction.     

A versatile supported silver for heterogeneously catalysed processes: Synthesis of 3‐Acyloxylindolines solvent‐free conditions

We have found that fibrous nanosilica (KCC‐1) can used as a excellent support for the synthesis of highly sparse nanoparticles and has high surface area that was functionalized with Tetrathia‐azacyclopentadecane (TTACP) groups acting as the strong performers so that the Ag nanoparticles were well‐dispersed without aggregation on the fibers of the KCC‐1 microspheres (KCC‐1/TTACP/Ag). We enthusiasm to report one‐pot synthesis of 3‐Acyloxylindolines for first time from N‐tosyl‐2‐vinylaniline, and benzoic acid in the presence of KCC‐1/TTACP/Ag as a catalyst.     

Geometrical nonlinear analysis of structures using residual variables

The capability of nonlinear analysis methods in tracing the equilibrium path depends on how to return to static status. In this paper, some residual factors existed in the iteration steps are employed. By setting the residual load parameter to zero, minimizing its factor and the residual displacement parameter, three novel constraint equations are obtained. The new formulas are proved by numerical examples. All obtained results illustrate the minimum residual load scheme's robustness in comparison with the cylindrical arc-length algorithm and other previous strategies. Moreover, the capacities of new procedures in tracing the load and displacement limit points are assessed.