Synthesis and In Vitro Cytotoxic Activity of Novel Triazole‐Isoxazole Derivatives

New derivatives of triazole‐isoxazole were synthesized through a four‐step reaction starting from various ethyl 4‐aryl‐2,4‐dioxobutanoate derivatives. Finally, all compounds were examined by MTT assays for cytotoxic activity in two human breast cancer cell lines (MCF‐7 and T‐47D).     

Facile and Mild Synthesis and Characterization of Some New Diazo Dyes on the Basis of Schiff Bases in the Presence of Nanocrystalline Magnesium Oxide as a Base Catalyst under Solvent‐free Conditions

In this research, some new diazo dyes including Schiff base have been synthesized by the condensation reaction between ethylenediamine and derivatives of salicylaldehyde containing diazo functional groups in the presence of nanocrystalline magnesium oxide as a solid base catalyst under solvent‐free conditions. Nanocrystalline magnesium oxide has been characterized by XRD, BJH and TEM techniques. The corresponding products have been obtained in excellent yields and high purity. All of the obtained diazo‐Schiff bases are highly colored and can be applicable as useful diazo dyes and characterized by spectroscopy data.     

Selective oxidation of alcohols with H2O2 catalyzed by zinc polyoxometalate immobilized on multi-wall carbon nanotubes modified with ionic liquid

In this work, acid functionalized multi-wall carbon nanotubes (MWCNTs) were modified with imidazolium-based ionic liquids. The selective oxidation of various alcohols with hydrogen peroxide catalyzed by[PZnMo₂W₉O₃₉]^5-, ZnPOM, supported on ionic liquids-modified with MWCNTs, MWCNTAPIB, is reported. This catalyst[ZnPOM@APIB-MWCNT], was characterized by X-ray diffraction, scanning electron microscopy (SEM) and FT-IR spectroscopic methods. This heterogeneous catalyst exhibited high stability and reusability in the oxidation reaction without loss of its catalytic performance.     

Magnetically nano core–shell Fe<Subscript>3</Subscript>O<Subscript>4</Subscript>@Cu(OH)<Subscript>x</Subscript>: a highly efficient and reusable catalyst for rapid and green reduction of nitro compounds

Magnetically separable nano core–shell Fe₃O₄@Cu(OH)_x with 22 % Cu content was prepared by the addition of sodium hydroxide to a mixture of CuCl₂·2H₂O and nano Fe₃O₄ in water. Characterization of the impregnated copper hydroxide was carried out by X-ray fluorescence (XRF), X-ray diffraction (XRD) atomic absorption spectroscopy (AAS), scanning electron microscopy (SEM), value stream mapping (VSM) and Brunauer–Emmett–Teller (BET) analysis. The core–shell nanocatalyst exhibited the excellent catalytic activity toward reduction of various nitro compounds to the corresponding amines with NaBH₄. All reactions were carried out in H₂O (55–60 °C) within 3–15 min to afford amines in high to excellent yields. Reusability of core–shell Cu(OH)_x catalyst was examined 9 times without significant loss of its catalytic activity.     

An improved solvent-free synthesis of flunixin and 2-(arylamino) nicotinic acid derivatives using boric acid as catalyst

A simple solvent-free protocol for the preparation of flunixin, a potent non-narcotic, non-steroidal anti-inflammatory drugs is reported using boric acid as catalyst. Its salt, flunixin meglumine are then prepared under reflux in EtOH. This sustainable method are then extended for the synthesis of a series of 2-(arylamino) nicotinic acid derivatives. The present protocol combines non-hazardous neat conditions with associated benefits like excellent yield, straightforward workup, and use of readily available and safe catalyst in the absence of any solvent, which are important factors in the pharmaceutical industry. The pathway for catalytic activation of 2-chloronicotic acid with boric acid was also investigated using Gaussian 03 program package.

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Synthesis of new dyes containing double tetrazole groups for sensitization of TiO<Subscript>2</Subscript> nanoparticles in dye-sensitized solar cells

Di(1H-tetrazol-5-yl)methane is employed as a new electron acceptor group in the synthesis of two metal-free organic dyes containing triphenylamine donor group. Dye-sensitized nanocrystalline TiO₂ solar cell (DSSC) applying these novel dyes is constructed for consideration of their photovoltaic properties. The electronic properties of the dyes are also considered with the aid of theoretical calculations. The DSSC constructed from 4-(2,2-di(1H-tetrazol-5-yl)vinyl)-N,N-diphenylaniline (T1) shows a short-circuit photocurrent density of 13.38 mA cm^?2, an open circuit voltage of 578 mV, and a fill factor of 0.54, with a resulted solar energy-to-electricity conversion efficiency of 4.18% under simulated 1 sun irradiation (100 mW cm^?2). This result reveals that the dye with the di(1H-tetrazol-5-yl)methane anchoring group injects more electrons to the conduction band of TiO₂ in comparison with its analogs with single tetrazole ring in their anchoring group. It is found that in spite of a red-shift of the absorption spectrum resulted from the lengthening of the molecule, the dye with two di(1H-tetrazol-5-yl)methane groups gives lower performance than the dye with a single electron acceptor.     

A modified pseudospectral method for solving trajectory optimization problems with singular arc

This paper presents a direct method based on Legendre–Radau pseudospectral method for efficient and accurate solution of a class of singular optimal control problems. In this scheme, based on a priori knowledge of control, the problem is transformed to a multidomain formulation, in which the switching points appear as unknown parameters. Then, by utilizing Legendre‐Radau pseudospectral method, a nonlinear programming problem is derived which can be solved by the well‐developed parameter optimization algorithms. The main advantages of the present method are its superior accuracy and ability to capture the switching times. Accuracy and performance of the proposed method are examined by means of some numerical experiments. Copyright © 2016 John Wiley & Sons, Ltd.