Original Research Article
Maassoumeh Fazlinezhad; Ahmad Nakhaei; Hossein Eshghi; Mohammad Saadatmandzadeh
Abstract
In this research work, a proficient method has been developed for the preparation of novel N-((2-chloroquinolin-3-yl) methylene)-4-methylbenzenamine derivatives from 2-chloroquinoline-3-carbaldehyde derivatives and p-toluidine in ethanol as solvent and using catalytic amount of acetic acid under reflux ...
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In this research work, a proficient method has been developed for the preparation of novel N-((2-chloroquinolin-3-yl) methylene)-4-methylbenzenamine derivatives from 2-chloroquinoline-3-carbaldehyde derivatives and p-toluidine in ethanol as solvent and using catalytic amount of acetic acid under reflux conditions to obtain desired products in good yields. The identification of all the synthesized compounds was confirmed by melting point, FT-IR, 1H NMR, and 13C NMR. Also, in present work all the synthesized compounds were evaluated for their molecular docking as anti-HIV-1 reverse transcriptase inhibitors using GOLD 5.2. software. The result of molecular docking showed that all the compounds established ‘π–π’ interactions with side chain of amino acid.
Original Research Article
Alireza Salabat; Saedeh Najafabadifarahani
Abstract
A biocompatible microemulsion system comprising of isopropyl myristate (IPM) as oil, tween 80 as a non-ionic surfactant and isobuthanol as co-surfactant was studied experimentally at 298.15 K. The pseudo-ternary phase diagram for the microemulsion system has been delineated at different surfactant to ...
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A biocompatible microemulsion system comprising of isopropyl myristate (IPM) as oil, tween 80 as a non-ionic surfactant and isobuthanol as co-surfactant was studied experimentally at 298.15 K. The pseudo-ternary phase diagram for the microemulsion system has been delineated at different surfactant to co-surfactant mass ratio of 1:1, 2.4:1 and 4:1. Some physico-chemical properties such as density, viscosity, refractive index, conductivity and pH, for a typical surfactant to co-surfactant mass ratio of 2.4:1 were determined precisely. It is verified that the transition point of viscosity, conductivity, refractive index and density occurs at about 30 wt% of water. The transition point could be attributed to either the change in the shape of droplets or the transition from o/w microemulsion phase to bicontinuous phase.
Short Communication
Leila Youseftabar-Miri
Abstract
Egg shell has been utilized as a natural, green, reusable and eco-friendly reagent for the synthesis of spiro[4H-pyran-oxindole] derivatives by one-pot multicomponent reaction of isatins, 1,3-diketones, and malononitrile/ ethyl cyanoacetate. Good functional group tolerance and broad scope of usable substrates ...
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Egg shell has been utilized as a natural, green, reusable and eco-friendly reagent for the synthesis of spiro[4H-pyran-oxindole] derivatives by one-pot multicomponent reaction of isatins, 1,3-diketones, and malononitrile/ ethyl cyanoacetate. Good functional group tolerance and broad scope of usable substrates are other prominent features of the present methodology.
![A clean and efficient synthesis of spiro[4H-pyran-oxindole] derivatives catalyzed by egg shell](data/ecc/coversheet/431566669119.png)
Original Research Article
Ali Allahresani; Mohammad ali Nasseri; Alireza Nakhaei; Saeid Aghajani
Abstract
In this study, Co (III) salen complex was synthesized and immobilized onto the surface of Fe3O4@SiO2 magnetic nanoparticle. The heterogeneous nanocatalyst was characterized by different techniques including X-ray diffraction (XRD), Fourier transform infrared spectra (FT-IR), thermogravimetric analysis ...
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In this study, Co (III) salen complex was synthesized and immobilized onto the surface of Fe3O4@SiO2 magnetic nanoparticle. The heterogeneous nanocatalyst was characterized by different techniques including X-ray diffraction (XRD), Fourier transform infrared spectra (FT-IR), thermogravimetric analysis (TGA), transmission electron microscopy (TEM), nitrogen adsorption−desorption isotherm (BET), vibrating sample magnetometer (VSM), and atomic absorption spectroscopy (AAS). The oxidation reaction of sulfides to sulfoxide with hydrogen peroxide (30%) was investigated in the presence of catalytic amount of heterogeneous magnetic Co (III) salen complex at room temperature in water, and corresponding products were achieved with excellent yields and selectivity. This catalyst was also used for the oxidation of benzyl alcohol derivatives with tert-butyl hydroperoxide (TBHP) as an oxidant in acetonitrile at reflux conditions and excellent yields, and selectivity was observed. Magnetic Co (III) salen complex showed good stability, and magnetic properties without significant loss in the activity and selectivity.
Original Research Article
Fatemeh Shafiei; Elham Esmaeili
Abstract
In this study the relationship between choosing appropriate descriptors by genetic algorithm to the Polarizability (POL), Molar Refractivity (MR) and Octanol/water Partition Coefficient (LogP) of barbiturates is studied. The chemical structures of the molecules were optimized using ab initio 6-31G basis ...
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In this study the relationship between choosing appropriate descriptors by genetic algorithm to the Polarizability (POL), Molar Refractivity (MR) and Octanol/water Partition Coefficient (LogP) of barbiturates is studied. The chemical structures of the molecules were optimized using ab initio 6-31G basis set method and Polak-Ribiere algorithm with conjugated gradient within HyperChem 8.0 environment. Three structural parameters were calculated using a quantum-mechanical method and Polak-Ribiere geometric optimization followed ab initio 6-31G method. The multiple linear regressions (MLR) and Backward methods (with significant at the 0.05 level) were employed to give the QSAR models. After MLR analysis, we studied the validation of linearity between the molecular descriptors in the best models for use properties. The predictive powers of the models were discussed by using the method of cross-validation. The results have shown that descriptor (MPC08, SIC2, TIC0), (ZM1V, IC2, GNar, UNIP, X3) and (S1K, Mi, SMTIV) could be used for modeling and predicting the MR, LogP and POL of the corresponding barbiturates respectively.
Original Research Article
Shahryar Pashaei; Soleman Hosseinzadeh; Basavarajaiah Siddaramaiah
Abstract
Fly ash (FA) is produced as a waste byproduct during the burning process of coal in thermal power plants whose cost is primarily associated to cleaning and transportation. It possesses mechanical properties on account of its constituents like silica and alumina. The use of FA as filler in styrene butadiene ...
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Fly ash (FA) is produced as a waste byproduct during the burning process of coal in thermal power plants whose cost is primarily associated to cleaning and transportation. It possesses mechanical properties on account of its constituents like silica and alumina. The use of FA as filler in styrene butadiene rubber (SBR) was of researchers’ interest to reinforce and/or to reduce product cost. In this article, the physico-mechanical properties of SBR composites with varying amounts viz., 0, 5, 10, 15, 20 and 40 phr of FA contents were investigated. The physico-mechanical properties of the rubber vulcanizates were determined before and after heat aging at 90 ºC for 72h. It was observed that fly ash-filled SBR composites were better in mechanical properties such as elongation and resilience. Thermo gravimetric analysis (TGA) studies of the SBR/FA composites have been performed in order to establish the thermal stability and the mode of thermal degradation.TGA thermograms indicate multiple steps of the SBR/FA systems thermal degradation.
Original Research Article
Sami Sajjadifar; Issa Amini; Hadi Jabbari; Omidali Pouralimardan; Mohammad Hossein Fekri; Kaushik Pal
Abstract
1-Methyl-3-(2-oxyethyl)-1H-Imidazol-3-ium-Borate Sulfonic Acid ([MOEI]-BSA) was easily prepared and used as a new and highly efficient solid acid catalyst for the synthesis of benzimidazole derivatives with high isolated yields. Various substituted benzimidazoles were synthesized by a combination of ...
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1-Methyl-3-(2-oxyethyl)-1H-Imidazol-3-ium-Borate Sulfonic Acid ([MOEI]-BSA) was easily prepared and used as a new and highly efficient solid acid catalyst for the synthesis of benzimidazole derivatives with high isolated yields. Various substituted benzimidazoles were synthesized by a combination of o-phenylenediamines and aldehydes in the presence of [MOEI]-BSA with excellent yields in water and under a mild and green reaction conditions. This method is also applicable for precursors such as aromatic and unsaturated aldehydes and o-phenylenediamines. Addition of organic part to BSA and synthesis of [MOEI]-BSA as a new Bronsted acidic ionic liquid (BAIL) improved the efficiency of this catalyst. 1-Methyl-3-(2-oxyethyl)-1H-Imidazol-3-ium-Borate Sulfonic Acid ([MOEI]-BSA) was easily prepared and used as a new and highly efficient solid acid catalyst for the synthesis of benzimidazole derivatives with high isolated yields. Various substituted benzimidazoles were synthesized by a combination of o-phenylenediamines and aldehydes in the presence of [MOEI]-BSA with excellent yields in water and under a mild and green reaction conditions. This method is also applicable for precursors such as aromatic and unsaturated aldehydes and o-phenylenediamines. Addition of organic part to BSA and synthesis of [MOEI]-BSA as a new Bronsted acidic ionic liquid (BAIL) improved the efficiency of this catalyst.
Original Research Article
Shahriar Saeidian; Bahaaldin Rashidzadeh; Roza Negahdari
Abstract
Polyphenol oxidase from Black mulberrys was extracted and partially purified through (NH4)2SO4 precipitation, dialysis and ion exchange chromatography. P-cresol was the better substrate for cresolase activity with a Km (11.5 mM) and catechol for catecholase activity with Km (6.4 mM) at pH 5. Km for cresolase ...
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Polyphenol oxidase from Black mulberrys was extracted and partially purified through (NH4)2SO4 precipitation, dialysis and ion exchange chromatography. P-cresol was the better substrate for cresolase activity with a Km (11.5 mM) and catechol for catecholase activity with Km (6.4 mM) at pH 5. Km for cresolase and catecholase activity of IsoPPOII at pH 6.5 were 12 and 8.5 and for IsoPPOIII at pH 8 were 9.5 and 7.5 mM, respectively. Maximum of catalytic efficiency was obtained for cresolase activity of IsoPPOIII (92.4 unit.mg-1.mM-1) and minimum of catalytic efficiency was obtained for catecholase activity of IsoPPOII (42.9 unit.mg-1.mM-1). The enzyme showed high activity over a broad pH range of 3 – 9 so the optimum pH for PPO activity was found to be 5, 6.5 and 8. The optimal temperature for catecholase was found to be 45°C for IsoPPOIII but 40°C for IsoPPOII and IsoPPOI. Affinity of PPOs for various substrates varies widely. The enzyme showed a broad activity over a broad pH and temperature range. The thermal inactivation studies showed that the IsoPPOIII is heat resistant than IsoPPOII and IsoPPOI. The most potent inhibitors was kojic acid. Kojic acid is a potent inhibitor of IsoPPOIII ˃ IsoPPOII ˃ IsoPPOI.
Original Research Article
Shashikant Raghunath Kuchekar; Shivaji D. Pulate; Haribhau R. Aher; Vishvas B. Gaikwad; Sung H. Han
Abstract
A simple and rapid method has been developed for solvent extraction and spectrophotometric determination of copper (II) using o-methylphenyl thiourea (OMPT) as a sensitive reagent. The basis of proposed method is formation of copper (II)-OMPT complex. Copper (II) was extracted with 0.020 mol L-1 OMPT ...
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A simple and rapid method has been developed for solvent extraction and spectrophotometric determination of copper (II) using o-methylphenyl thiourea (OMPT) as a sensitive reagent. The basis of proposed method is formation of copper (II)-OMPT complex. Copper (II) was extracted with 0.020 mol L-1 OMPT in chloroform from aqueous solution in 0.075 mol L-1 potassium iodate. The absorbance of complex was measured at 510 nm. Beer’s law was obeyed up to 600 µg mL-1 for copper (II). The molar absorptivity and Sandell’s sensitivity of the complex were 1.0167×103 L mol-1 cm-1 and 0.0625 µg cm-2 respectively. Correlation coefficient of the method was 0.93. The stoichiometry of copper (II)-OMPT complex was 1:1 established from slope ratio, mole ratio and job’s continuous variation methods. The stability of copper (II)-OMPT complex was >24 h. The proposed method is free from interferences from large number of foreign ions. The proposed method was successfully applied for separation and determination of copper (II) from real samples (vegetable and environmental samples), binary and ternary synthetic mixtures. Precision of method was checked by finding relative standard deviation for eight determinations that was 0.23%.
Original Research Article
Amir Hossein Rasouli Amirabadi; Mahmoud Mirzaei
Abstract
Time-dependent density functional theory (TD-DFT) calculations were performed to study photosensitizing properties for porphrazine and eleven of its related derivatives. Two model categories have been considered based on the existence of CN functional group in addition to the other functional groups; ...
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Time-dependent density functional theory (TD-DFT) calculations were performed to study photosensitizing properties for porphrazine and eleven of its related derivatives. Two model categories have been considered based on the existence of CN functional group in addition to the other functional groups; H, CH3, F, CF3, C6H5, and C6F5. The CN group could moderate the molecular level energy properties in which the required absorption wavelengths were almost similar in the models. The numbers of the generated 1O2 molecules are almost around one and some others, in which the numbers are slightly changed for the models based on the required absorption wavelengths. As a final remark, the chemicals could be used with safer wavelength regions for applications on living tissues based on their dominant functional groups.
Original Research Article
Milad Edraki; Issa Mousazadeh Moghadam; Mohammad Banimahd Keivani; Mohammad Hossein Fekri
Abstract
orrosion inhibitory impacts of turmeric with concentrations of 200-800 ppm on the electrochemical behavior of mild steel were studied in the medium of NaCl 3.5% using several techniques such as electrochemical impedance spectroscopy (EIS) and polarization. Scanning electron microscopy (SEM) was used ...
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orrosion inhibitory impacts of turmeric with concentrations of 200-800 ppm on the electrochemical behavior of mild steel were studied in the medium of NaCl 3.5% using several techniques such as electrochemical impedance spectroscopy (EIS) and polarization. Scanning electron microscopy (SEM) was used for analyzing the surface of mild steel after 24 hours of immersion in the electrolyte solution, with and without turmeric. The results of polarization and EIS demonstrated that for the steel sample immersed in a salt solution containing 800 ppm of turmeric extract, the corrosion current density was decreased and the corrosion potential was shifted to positive values. On the other hand, the electric capacitance of the double-layer was decreased and the charge transfer resistance and inhibition efficiency were increased, confirming an improved corrosion resistance compared to the other sample concentrations. SEM results for the mentioned inhibitor with 800 ppm concentration showed a more even and continuous film formed on the surface of mild steel and no corrosion products was observed.
