Sharif Digital Repository

An efficient one-pot, three-component synthesis of novel dispiro[oxindole-3,3′-pyrrolidines] by 1,3-dipolar cycloaddition of azomethine ylides, in situ generated by reaction of 1,2-diones with sarcosine and subsequent decarboxylation, with a series of (E)-3-benzylidene-2,3-dihydro- 1H-indol-2-ones is reported. Molecular complexity is generated in only one synthetic step. All reactions proceed with excellent regioselectivity and in good-to-excellent yields. The workup is easy, the reaction times are short, and no catalyst is required. © 2013 Verlag Helvetica Chimica Acta AG, Zürich  

An efficient synthesis of pentacyclic indole derivatives is achieved via domino Knoevenagel-hetero-Diels-Alder reactions of indolin-2-thiones and O-propargylated salicylaldehyde derivatives in CH3CN in the presence of 10 mol % of ZnO as a heterogeneous catalyst. The products are formed in good to excellent yields  

Palladium nanoparticles immobilized on the magnetic nanoparticles@2-amino-N-(2-aminoethyl) benzamide (MNPs@A-N-AEB.Pd0) have been presented as an efficient, and reusable magnetically heterogeneous catalyst for the C-O coupling reaction, namely Ullmann condensation reactions in an aqueous medium. This heterogeneous catalyst shows superior reactivity for the C-O arylation of different aryl halide (chloride, bromide, and iodide) with phenol derivatives to afford the desired products in good to excellent yields within short reaction time. Moreover, the catalyst can be easily recovered and reused for seven runs without loss of catalytic activity. The catalyst was characterized by several... 

C15H10ClN3O3S, orthorhombic, Pbca (no. 61), a = 11.981(2) Å, b = 14.890(4) Å, c = 17.239(4) Å, V = 3075.4 Å3, Z = 8, Rgt(F) = 0.053, wRref(F2) = 0.123, T = 120 K. © by Oldenbourg Wissenschaftsverlag  

A comprehensive study was carried out for the first time on the acidity of eleven different leaves. After functionalization of the leaves with –SO3H groups, the most acidic one was magnetized using nickel ferrite nanoparticles. This novel, inexpensive, green and biodegradable catalyst showed high activity in the synthesis of pyrazoline and 2-amino nicotinonitriles. Some compounds are new and have never been synthesized before and confirmed by FT-IR, 1H NMR and 13C NMR analysis. All of these compounds possess multiple biological activities. The heterogeneous magnetic catalyst (NiFe2O4-Alnus-SO3H) was characterized by various physicochemical techniques such as FT-IR spectroscopy, field... 

Compound 3-benzyl-2H-pyrano[3,2-c]chromene-2,5(6H)-dione(3), was prepared and fully characterized. The vibrational modes (FT-IR) and NMR data ( 1H and 13C chemical shifts) were compared with the results of Density Functional Theory (DFT) method at the B3LYP/cc-PVTZ level. The calculated vibrational frequencies and NMR chemical shifts are in good agreement with the experimental results. The electronic (UV-Vis) spectrum was calculated using the TD-DFT method in CH2Cl2 with the Polarizable Continuum Model using the integral equation formalism variant (IEFPCM) and was correlated to the experimental spectra. The assignment and analysis of the frontier HOMO and LUMO orbitals indicate that... 

This study aims to develop a low computational cost framework to optimize the seismic performance of the steel moment-resisting frames (SMRFs) equipped with friction dampers at different performance levels. To achieve the optimal design of dampers in a structure, a novel approach called adaptive optimisation technique (AOT) is adopted. The basis of this method is to achieve a uniform distribution of damage (UDD) in the structure to exploit the maximum energy dissipation capacity of the dampers. The optimisation objective is to obtain the best position of friction dampers and minimize their slip-threshold force to satisfy a predefined inter-story drift (i.e. selected performance target). The... 

N-benzyl-DABCO tribromide, a stable, crystalline organic ammonium tribromide (OATB), have been used as an alternative electrophilic bromine source for the efficient oxidative cyclization of thiobenzanilides to the corresponding benzothiazoles under mild conditions. © Georg Thieme Verlag Stuttgart  

Dracocephalum kotschyi essential oils obtained by hydrodistillation (HD), microwave-assisted hydrodistillation (MAHD), and solvent-free microwave extraction (SFME) were investigated by GC-FID (Gas Chromatography-Flame Ionization Detector) and GC-MS (Gas Chromatography-Mass Spectrometry). The percentage of oxygenated compounds was significantly increased from 62.52% in HD to 76.47% in MAHD, and 84.52% in SFME. Conversely, the monoterpene hydrocarbons were decreased from 30.84% in HD to 13.71% in MAHD, and 5.85% in SFME. The main compound in the essential oil obtained by HD is limonene, which accounted for more than 30% of the oil, while the percentage of this compound was reduced to 9.52% in... 

Proton exchange membrane (PEM) fuel cell performance is directly related to the bipolar plate design and their channels pattern. Power enhancements can be achieved by optimal design of the type, size, or patterns of the channels. It has been realized that the bipolar plate design has significant role on reactant transport as well as water management in a PEM Fuel cell. Present work concentrates on improvements in the fuel cell performance by optimization of flow-field design and channels configurations. A three-dimensional, multi-component numerical model of flow distribution based on Navier-Stokes equations using individual computer code is presented. The simulation results showed excellent... 

This study proposes a computer modeling approach to find the optimal damping coefficients of the viscoelastic ankle-foot prostheses for each specific amputee. A two-dimensional locomotion model was developed for a transtibial amputee and personalized using his body measures and the reference gait pattern of an equivalent able-bodied subject. By employing the forward dynamic simulation, the amputee’s locomotion was synthesized for different prosthetic settings to find the optimal damping coefficients, based on a kinematics and a total work cost function. Results indicated a good agreement between the model predictions and the experimental observations. © 2018, © 2018 RESNA  

This study proposes a computer modeling approach to find the optimal damping coefficients of the viscoelastic ankle-foot prostheses for each specific amputee. A two-dimensional locomotion model was developed for a transtibial amputee and personalized using his body measures and the reference gait pattern of an equivalent able-bodied subject. By employing the forward dynamic simulation, the amputee’s locomotion was synthesized for different prosthetic settings to find the optimal damping coefficients, based on a kinematics and a total work cost function. Results indicated a good agreement between the model predictions and the experimental observations. © 2018, © 2018 RESNA  

The first diastereoselective synthesis of spirothiooxindoles is reported via the Michael reaction between thiooxindoles and dibenzalacetones. The reaction was conducted without any catalyst or additive under green conditions, i.e., ethanol as the solvent and at room temperature. In addition, the described robust method benefits from scalability, simple work-up, and column chromatography-free purification. This work demonstrates the art of governing regio- and stereoselectivity, which has been discussed in the light of Density Functional Theory calculations. Our method represents the first synthesis of spiro[cyclohexanone-thiooxindoles] with the relative configuration of the aryl moieties at... 

Nitriles are efficiently transformed to thiomorpholides via the Willgerodt-Kindler reaction under microwave irradiation in solvent-free conditions  

Abstract: In the present paper, an efficient Cu-catalyzed regioselective acylation of indoles with phenylglyoxals was developed which is the first example of indolyl diketones synthesis by a heterogeneous catalyst. The magnetic polyacrylonitrile was synthesized through anchoring acrylonitrile monomers on Fe3O4 nanoparticles surface and then modified with 2-aminopyridine. At the final step, copper nanoparticles were immobilized onto the polymeric support containing stable ligands from functionalized nitrile groups of polyacrylonitrile. The different techniques such as Fourier transmission infrared spectroscopy, X-ray diffraction, Field emission scanning electron microscopy, Transmission... 

Herein, an efficient and sustainable one-pot, four-component access to rhodanine-oxindole derivatives is achieved by a reaction between primary amines, carbon disulfide, ethyl chloroacetate, and cyano-substituted alkenyl oxindoles. The reaction was conducted without any harsh conditions as well as exhausting workup in polyethylene glycol (PEG) as a green solvent at room temperature and delivered rhodanine-oxindole products in high yield. This publication is the first easy protocol to be reported for the rapid construction of new rhodanine-oxindole derivatives at room temperature without harsh conditions and via multicomponent reaction. © 2021 Taylor & Francis Group, LLC  

We present a novel pincer ligand based on the pyridine scaffold for functionalizing magnetic GO (graphene oxide). Pincer ligands are known for their great control of coordination spheres in catalysts. GO is used as solid support for immobilizing gold nanoparticles to synthesize a heterogeneous catalyst for reducing nitroarenes. The reduction of nitroarenes to aromatic amines is not only of environmental importance but can be used as a model reaction too. The yields of the reduction reactions are promising. Additionally, the reaction conditions are mild and the catalyst has good recyclability and great stability. The nanocatalyst was monitored and characterized by spectroscopic methods. ©... 

Used lubricating oil (ULO) is a heavy mixture of various hydrocarbons and needs to be treated before discharging. Considering ULO nature, it is more favorable to recover lighter hydrocarbon cuts from ULO, which not only improves the whole process economically, but also prevents the emission of hardly decomposable hydrocarbons into the environment. In this research, the potential of pyrolysis method for ULO recovery was studied. Furthermore, graphene nanoplatelets (GNP), γ- Fe2O3 and ZnO nanoparticles were used to improve the kinetics of the process and their impacts on the final product quality were evaluated. Based on the results, adding nanomaterials increased the tendency to produce gas... 

A new and efficient synthesis of pyrimido[4,5-d]pyrimidine-2,4-dione derivatives through the reaction of 6-aminouracils and N,N′-bis(arylmethylidene) arylmethane in the presence of molecular iodine as a readily available and feasible catalyst  

This article presents a failure analysis on a gasoline engine cylinder head made of aluminum alloy, which has been used in passenger cars. During an endurance test, a crack initiated from the interior wall of a hole in the center of the cylinder head and then propagated through the thickness of the cylinder head. The metallurgical examinations are conducted in the crack origin zone. The results show that there are many casting pores due to poor quality of casting in the failed cylinder head which has certainly played a crucial role in initiating the crack. Finite element analysis of the cylinder head is performed to identify the stress components. Modeling of a bolt for the hole shows that...