Sharif Digital Repository

An environmentally benign and efficient process for the preparation of β-hydroxysulfides was developed by a practical and simple reaction of thiols with epoxides in water catalyzed by K2CO3 in high yields and short reaction times  

A convenient, green, and efficient procedure for the synthesis of S-vinyl dithiocarbamates by a simple one-pot three-component condensation of an amine, carbon disulfide, and alkynes is described in the absence of any transition metal catalyst and under solvent-free conditions. This clean and improved method selectively furnishes the corresponding (Z)-S-vinyl dithiocarbamates in good to excellent yields. The reaction is clean with simple product workup and is carried out at 80 C. Graphical Abstract: [Figure not available: see fulltext.]  

An efficient and unprecedented green protocol has been developed for the synthesis of N,S-heterocycles from styrenes and alkyl dithiocarbamates with high to excellent yields. The reaction of primary or secondary amines, CS 2, and styrenes was carried out in water in the presence of a catalytic amount of an inorganic base. All products were made by using an N -bromosuccinimide-H 2O combination as a green and inexpensive reagent. © 2020 American Institute of Physics Inc.. All rights reserved  

In this work, a green synthesis method was designed and practiced to develop bioactive and biocompatible carbon-based nanocomposites biomaterials. ZnO nanoparticles were synthesized in assistance of leaf extracts and added to a composite nanostructure composed of the reduced graphene oxide (rGO) and multi-walled carbon nanotubes (MWCNT). The resulting green nanocomposite revealed ability to make π-π interactions, hydrogen bonding, and van der Waals interactions with the doxorubicin (DOX). Then, the surface morphology of the synthesized nanocomposite was investigated, and the interrelationship between the surface morphology, relative cell viability, and drug uptake and release behavior were... 

Selective oxidations of alkenes were investigated using molecular oxygen in aqueous solution under mild conditions. Colloidal gold nanoparticles are particularly versatile catalysts for oxidation reaction with exceptionally high efficiency and significant selectivity. Gold nanorods (Au NRs) exhibited a slightly enhanced activity compare to gold nanospheres  

The Ugi reaction goes fast with high yields in a recyclable and biodegradable low-melting mixture of choline chloride and urea (DES) as a novel and efficient reaction medium. The DES is applicable to a wide range of aldehydes, amines, isocyanides, and acids in good to excellent isolated yields (60-92%) and short reaction times (2-5 h) and can be reused four times without any loss of activity  

Water was found to be a highly efficient and green catalyst and solvent for ring-opening reaction of epoxides with Na2S at room temperature to give substituted bis(hydroxyethyl)thioethers in high yields  

Control over the wettability of reservoir rocks is of crucial importance for enhancing oil and gas recovery. In order to develop chemicals for controlling the wettability of reservoir rocks, we present a study of functionalized silica nanoparticles as candidates for wettability alteration and improved gas recovery applications. In this paper, properties of fluorinated silica nanoparticles were investigated in water or decane-loaded pores of mineral silica using molecular dynamics simulation. Trifluoromethyl groups as water and oil repellents were placed on the nanoparticles. Simulating a pore in the presence of trapped water or decane molecules leads to liquid bridging for both of the... 

The current work deals with the catalytic application of bis(1-butyl-3-methylimidazolium) tungstate ([BMIm]2WO4) for green synthesize of glutaric acid (GA) through oxidative cleavage of cyclopentene. In this method, 30% hydrogen peroxide (H2O2) was used as oxidant with water as the sole by-product of the reaction. Compared to the current synthetic procedures, this protocol is significantly improved in the environmental point of view. Moreover, the effect of the various parameters was investigated on the reaction efficiency. It was found that high yield of GA could obtain without using special methodologies or precautions. The catalytic system is reusable for several times  

Fibrillation of amyloid beta (Aβ) peptide is the hallmark of Alzheimer's disease. Given that interactions at the bio–nano interface affect the fibrillation tendency of this peptide, an understanding of the interactions at Aβ peptide–inorganic surfaces on the microscopic level can help to determine the possible neurotoxicity of nanoparticles. Here, the interactions between a fibril-forming peptide, Aβ25–35, and (111) and (100) facets of gold and silver surfaces have been studied by conducting atomistic molecular dynamics simulations. The obtained results indicate that the adsorption onto gold and silver surfaces force the peptide into the β-sheet-rich conformations, which is prone to... 

Oxidation of a variety of organic compounds, using Mn-porphyrin, mesotetrakis(4-hydroxyphenyl)porphyrinatomanganese(III), supported onto functionalized silica-coated magnetic nanoparticles via “Click” reaction has been investigated. The heterogeneous catalyst was characterized by powder X-ray diffraction (XRD), scanning electron microscopy (SEM), FT-IR spectroscopy, inductively coupled plasma optical emission spectroscopy (ICP/OES) and energy-dispersive X-ray spectroscopy (EDX). Thermogravimetric analysis (TGA) demonstrated that the prepared catalyst was thermally stable to almost 300 °C, exhibiting high thermostability of the nanocatalyst over a broad range of temperatures. This... 

Gelatin-based functional films were prepared by the addition of grapefruit seed extract (GSE, 5 wt% based on gelatin) and various amounts of TiO2 (0.5, 1.0, 3.0, and 5.0 wt% based on gelatin). TiO2 was evenly dispersed in the gelatin film, but the film surface roughness was increased as the concentration of TiO2 increased. The mechanical strength and water contact angle (WCA) of the composite film were the highest, while the water vapor permeability (WVP) was the lowest when 0.5 wt% TiO2 was used. The addition of GSE slightly reduced the UV light transmittance, but the addition of TiO2 almost completely prevented the UV light transmission. The addition of GSE and TiO2 did not significantly... 

Focused on the assessment of the diphenhydramine hydrochloride (DPH) capabilities as an alternative to conventional and harmful industrial corrosion inhibitors, electrochemical techniques were employed. The optimum concentration of 1000 ppm was determined by molecular simulation and validated through electrochemical experiments. The results acquired from the electrochemical impedance spectroscopy (EIS) study showed that DPH at a concentration of 1000 ppm has a corrosion efficiency of 91.43% after 6 h immersion. The DPH molecules' orientation on the surface was assessed based on EIS predicting horizontal adsorption on the surface. Molecular simulations were done to explore the adsorption... 

The synthesis of a variety of 2,3-disubstituted quinolines has been achieved successfully via a one-pot three-component reaction of arylamines, arylaldehydes and aliphatic aldehydes in the presence of butylpyridinium tetrachloroindate(III), [bpy][InCl4], ionic liquid as a green catalyst and solvent. Mild conditions with excellent conversions, and simple product isolation procedure are noteworthy advantages of this method. The recyclability of the ionic liquid makes this protocol environmentally benign  

Understanding the chemistry of sandstone acidizing is important in designing an effective treatment for subsurface rock formations. The complex chemistry of sandstone systems leads to the precipitation of minerals that contribute to formation damage. Thus, monitoring the concentration and location of precipitates is necessary. In this work, a continuum-scale sequential implicit LEA/PLEA reactive transport model is developed and programmed through coupling OpenFOAM and Reaktoro to improve the model prediction. The proposed LEA/PLEA models are compared for core acidizing simulations at relatively high and low Damköhler numbers. We found that the common assumption of kinetically-controlled flow...