Sharif Digital Repository

Michael addition reaction of anthrone to nitroolefins is described in water without using any catalyst to prepare 9-(2-nitro-1-arylethyl)anthracene-10(9H)- ones. This method is green and efficient and gives good yields of products. The solvent effect is also investigated  

Regioselective epoxides ring opening with aromatic amines using boric acid and glycerol in water as a green media have been investigated. Corresponding β-amino alcohols were obtained with excellent yields and considerable regioselectivity. High yields of the products and mild reaction conditions using green catalyst and water as a green solvent are some advantages of this procedure  

A new and facile protocol for the synthesis of 2-amino-1,3,4-thiadiazoles in water is described. Reaction of acid hydrazides with easily prepared dithiocarbamates gives the corresponding thiadiazoles in moderate to excellent yields. 2-Amino-1,3,4-oxadiazoles were not observed as side products using this procedure  

Series of quaternary ammonium salts of substituted five-membered-ring iron complexes were prepared by reaction of allyl(cyclopentadienyl)iron(II) dicarbonyl with iminium salts. Also, reactions of allyl-(cyclopentadienyl) iron(II) dicarbonyl with in situ prepared iminium salts afford the same products in good to excellent isolated yields. © 2007 American Chemical Society  

An efficient method for the synthesis of functionalized 4H-chromenes via a one-pot three-component condensation reaction of a 2-hydroxybenzaldehyde with an active methylene compound and a carbon-based nucleophile in the presence of a catalytic amount of ZrOCl2·8H2O in water under thermal condition has been described. High yields, simple work-up procedure, performing reactions in water and synthesis of complex molecules with a one-pot procedure are the main advantages of this procedure. In addition, the structure of the product from the condensation of salicylaldehyde, 2-naphthol, and dimedone was confirmed by X-ray crystallography. © 2018 Wiley Periodicals, Inc  

Four metal dithiocarbamate complexes (Zn, Ni, Hg and Sn) based on an amine containing pyridyl and nitrile groups, 3-((pyridin-2-yl)methylamino)propanenitrile, were prepared and characterized by their elemental analysis, spectroscopic data (such as IR, 1H and 13C NMR), TGA analysis and X-ray crystallography of the Ni(II) complex. The presence of a band in the 1000 cm-1 region in the IR spectra, without any splitting, confirms the symmetrical bidentate bonding mode of the dithiocarbamate ligand. Also, the short thioureide C=N distance in the X-ray analysis of the Ni complex confirms the delocalization of π electrons over the S2CN moiety and strong double bond character between the carbon and... 

Nitroamines and nitrothiols were synthesized in high yields by the Michael addition of amines and thiols to nitroolefins without using any catalyst. Also, the reaction of amines with dimethylacetylene dicarboxylate (DMAD) in water afforded the corresponding enamines. © 2007 Elsevier Ltd. All rights reserved  

Correlations between electrical and thermal conduction in polymer composites are blurred due to the complex contribution of charge and heat carriers at the nanoscale junctions of filler particles. Conflicting reports on the lack or existence of thermal percolation in polymer composites have made it the subject of great controversy for decades. Here, we develop a generalized percolation framework that describes both electrical and thermal conductivity within a remarkably wide range of filler-to-matrix conductivity ratios (Y f / Y m), covering 20 orders of magnitude. Our unified theory provides a genuine classification of electrical conductivity with typical Y f / Y m ≥ 10 10 as... 

Synthesis of dithiocarbamates by the one-pot three-component Markovnikov addition reaction of an amine, carbon disulfide and an alkyl vinyl ether or N-vinylpyrrolidone is reported in polyethylene glycol (PEG) under a mild and green procedure with high yields and completely regiospecific. Also, the products were used as efficient starting materials for amidoalkylation of electron-rich arenes such as naphthols and indoles  

Understanding the nature of interaction between metal nanoparticles and biomolecules such as amino acids is important in the development and design of biosensors. In this paper, binding of M3 clusters (M = Au, Ag and Cu) with neutral and anionic forms of histidine amino acid was studied using density functional theory (DFT-B3LYP). It was found that the interaction of histidine with M3 clusters is governed by two major bonding factors: (a) the anchoring N-M and O-M bonds and (b) the nonconventional N-H⋯M and O-H⋯M hydrogen bonds. The nature of these chemical bonds has been investigated based on quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO) analyses. In the next... 

The relative stabilities and noncovalent interactions of the six low-lying energy tautomers of cytosine nucleobase with some biological anions (such as F-, Cl-, and CN-) have been investigated in gas phase by density functional theory (DFT) method in conjunction with 6-311++G (d,p) atomic basis set. Furthermore, to systematically investigate all possible tautomerisms from cytosine induced by proton transfer, we describe a study of structural tautomer interconversion in the gas phase and in a continuum solvent using DFT calculation. We carried out geometrical optimizations with the integral equation formalism of polarizable continuum (IEF-PCM) model to account for the solvent effect, and the... 

In this study, the inclusion of multi-walled carbon nanotubes as the second phase in the hydroxyapatite matrix, in order to improve the mechanical strength, has been performed via the sol-gel process. The stability of carbon nanotube sol with the changes of pH and dispersant values (sodium dodecyl sulfate) was evaluated by zeta potential analysis. The results indicated that synthesis of hydroxyapatite particles in the presence of the carbon nanotubes had the best result in homogenization of the carbon nanotube dispersion and faster crystallization of hydroxyapatite. The crystallization of hydroxyapatite phase was investigated with differential scanning calorimetry (DSC) and X-ray diffraction... 

An effective approach for the synthesis of 2-(alkylthio)thiazol-4(5H)-ones from alkyl dithiocarbamates and chloroacetyl chloride in the presence of NaHCO3 has been developed. Good to excellent yields of products, simple reaction conditions and general applicability are the most important advantages of this protocol  

In this study, UV‐Vis-NIR photodetectors based on decorated ZnO nanofibers (NFs) with optimized coverage of Au nanoparticles (NPs) fabricated via combined simple electrospinning and sputtering techniques are introduced. The effect of different coverages of Au NPs resulted from different Au nominal layer thicknesses on the morphology and optical properties of the ZnO fibers are investigated through various characterization methods. It is discovered that 4 nm Au nominal thickness provides the highest UV on/off ratio (~460), responsivity (~332 A/W), detectivity (~2.93×10 11 Jones) as well as faster rise and decay times as compared to pure ZnO nanofibers. A broad spectral response from UV to NIR... 

Kinetics of oxidation of MgO-C refractories was investigated by shrinking core modeling of the gas-solid reactions taking place during heating the porous materials to the high temperatures. Samples containing 4.5-17 wt pct graphite were isothermally oxidized at 1000-1350°C. Weight loss data was compared with predictions of the model. A mixed 2-stage mechanism comprised of pore diffusion plus boundary layer gas transfer was shown to generally control the oxidation rate. Pore diffusion was however more effective, especially at graphite contents lower than 10 wt pct under forced convection blowing of the air. Model calculations showed that effective gas diffusion coefficients were in the range... 

Without using any catalysts, a variety of epoxides undergo ring-opening by aromatic amines to afford the corresponding 1,2-amino alcohols in high to excellent yields with good regioselectivity in the presence of water as solvent and under solvent-free conditions  

A highly efficient and simple synthesis of unsymmetrical thioureas is reported based on the reaction of readily synthesized dithiocarbamates with amines, without using any catalyst under solvent-free conditions. The short reaction time, high yields, and solvent-free conditions are advantages of this method. We did not observe the formation of any symmetric disubstituted thiourea, under these reaction conditions. © 2008 Elsevier Ltd. All rights reserved  

4-Alkyl-2-imino-1,3-dithiolanes and 4-alkyl-2-iminium-1,3-dithiolanes were prepared in excellent yields with complete regiospecificity under mild conditions by the iodocyclization of S-allyl dithiocarbamates. Dehydrohalogenation of the 4-alkyl-2-imino-1,3-dithiolanes gave 4-alkylidene-2-imino-1,3-dithiolanes in excellent yields. © 2009 Elsevier Ltd. All rights reserved  

Accelerated Michael-type Friedel-Crafts alkylation of naphthols with nitrostyrenes in the presence of water is reported. The procedure is simple, catalyst-free, and affords good yields of the products. © 2009 Elsevier Ltd. All rights reserved  

Multi-walled carbon nanotubes (MWCNTs) with diameter of about 50 nm were synthesized using thermal chemical vapor deposition. We have investigated the influence of Mg doping to the MWCNTs on its hydrogen storage property. TEM micrographs showed that Mg was attached to the MWCNTs and discontinuous arrangement of the carbon walls was recognized in the MWCNTs. According to XPS and BET analyses, the surface functional groups and pore size of the Mg-MWCNTs are increased by interactions between the Mg and the MWCNT's outer walls. The electrochemical discharging curves of the MWCNTs and Mg-doped MWCNTs revealed that the hydrogen storage capacity was 363 and 450 mAhg -1, respectively. Volumetric...