In situ green synthesis of Cu‐Ni bimetallic nanoparticles supported on reduced graphene oxide as an effective and recyclable catalyst for the synthesis of N‐benzyl‐N‐aryl‐5‐amino‐1H‐tetrazoles

In the present work, for the first time we have designed a novel approach for the synthesis of N‐benzyl‐N‐aryl‐5‐amino‐1H‐tetrazoles using reduced graphene oxide (rGO) decorated with Cu‐Ni bimetallic nanoparticles (NPs). In situ synthesis of Cu/Ni/rGO nanocomposite was performed by a cost efficient, surfactant‐free and environmentally benign method using Crataegus azarolus var. aronia L. leaf extract as a stabilizing and reducing agent. Phytochemicals present in the extract can be used to reduce Cu²⁺ and Ni²⁺ ions and GO to Cu NPs, Ni NPs and rGO, respectively. Analyses by means of FT‐IR, UV–Vis, EDS, TEM, FESEM, XRD and elemental mapping confirmed the Cu/Ni/rGO formation and also FT‐IR, NMR, and mass spectroscopy as well as elemental analysis were used to characterize the tetrazoles. The Cu/Ni/rGO nanocomposite showed the superior catalytic activity for the synthesis of N‐benzyl‐N‐aryl‐5‐amino‐1H‐tetrazoles within a short reaction time and high yields. Furthermore, this protocol eliminates the need to handle HN₃.     

Green route for selective gram‐scale oxidation of sulfides using tungstate/triazine‐based ionic liquid immobilized on magnetic nanoparticles as a phase‐transfer heterogeneous catalyst

Tungstate ions were successfully loaded onto triazine‐based ionic liquid‐functionalized magnetic nanoparticles through an anion exchange process. The use of triazine core for creating ionic liquid led to the immobilization of high amounts of WO₄^2?. The resulting catalyst showed high activity and selectivity in the oxidation of sulfides to sulfoxides with H₂O₂ as a green oxidant at room temperature. In addition, due to the presence of ammonium groups in the catalyst structure, water dispersibility of the catalyst was increased. More important, the catalyst was magnetically recovered and reused for up to six runs without any marked decrease of activity and selectivity. Finally, easy gram‐scale oxidation of methylphenyl sulfide as well as fast separation of catalyst and product makes the protocol economical and industrially applicable.     

Investigation of hydrogen and methane adsorption/separation on silicon nanotubes: a hierarchical multiscale method from quantum mechanics to molecular simulation

A combination of ab initio quantum mechanical (QM) calculations and canonical Monte Carlo (CMC) simulations are employed to investigate possible usage of single-walled silicon nanotubes (SWSiNTs) as a novel media for hydrogen and methane adsorption as well as their separation from each other. By fitting the force field, a Morse potential model is selected as an efficient potential to describe the binding energies between both hydrogen-SiNTs and methane-SiNTs obtained from ab initio calculations. Then CMC simulations are performed to evaluate the adsorption and separation behaviors of H₂ and CH₄ on the three different sizes of SiNTs including (5, 5), (7, 7), and (9, 9) SiNTs at ambient temperatures and pressures from 1 up to 10 MPa. As a comparison, the adsorption and separation of H₂ and CH₄ on the (8, 8) CNTs which are isodiameter with (5, 5) SiNTs are also simulated. Results are indicative of remarkable enhancement of H₂ and CH₄ adsorption capacity on the SiNTs compared to the CNTs, which arise from stronger van der Waals (VDW) attractions. In the case of methane adsorption on SiNTs, the stored volumetric energy exceeds the goal of the US Freedom CAR Partnership by 2010, which can not be achieved by methane compression at such low pressures. Moreover, simulation results indicate that SiNTs preferentially adsorb methane relative to hydrogen in their equimolar mixture, which results in efficient separation of these gases from each other at 293 K.     

Immobilized copper(II) on nitrogen‐rich polymer‐entrapped Fe3O4 nanoparticles: a highly loaded and magnetically recoverable catalyst for aqueous click chemistry

A heterogeneous magnetic copper catalyst was prepared via anchoring of copper sulfate onto multi‐layered poly(2‐dimethylaminoethyl acrylamide)‐coated magnetic nanoparticles and was characterized using various techniques. The catalyst was found to be active, effective and selective for one‐pot three‐component reaction of alkyl halide, sodium azide and alkyne, known as copper‐catalyzed click synthesis of 1,2,3‐triazoles. As little as 0.3 mol% of catalyst was found to be effective under the optimum conditions. The catalyst could also be recycled and reused up to seven times without significant loss of activity. Thermal stability, high loading level of copper on catalyst, broad diversity of alkyl/benzyl/allyl bromide/chloride and alkyl/aryl terminal alkynes without isolation of azide intermediate, and good to excellent yields of products make this procedure highly economical. Copyright © 2015 John Wiley & Sons, Ltd.     

Estimation of concrete compressive strength by a fuzzy logic model

Concrete mix design is a process of proportioning the ingredients in right proportions. The aim of this study is to design a fuzzy logic model for determination of the compressive strength of a concrete. The datasets which have been loaded into a fuzzy logic model contain 1,030 concrete mixtures. Input fields of the fuzzy expert system are weight percent of cement, water, blast furnace slag, fly ash, super plasticizer, fine aggregate, coarse aggregate, and age of the concrete. Output field is concrete compressive strength. Finally, 897 rules used for this fuzzy logic modeling.     

P2O5/SiO2 as an Efficient Reagent for the Preparation of Z -Aldoximes Under Solvent-Free Conditions

Abstract

A facile and efficient method for the preparation of Z-aldoximes is improved by means of P₂O₅/SiO₂ reagent in solvent-free media. Advantages of this method are the use of inexpensive and selective reagent, with high yields in simple operation, and short reaction time under solvent-free conditions.     

Solid State S-Methylation of Thiols and O-Methylation of Phenols and Naphthols with Dimethyl Sulfate Under Microwave Irradiation

Abstract

Mild and efficient S-methylation of thiols and o-methylation of phenols and naphthols occurs with dimethyl sulfate (DMS) supported on basic alumina under microwave irradiation in solventless system.