فهرست مطالب

Journal of Applied Chemical Research
Volume:7 Issue: 1, Winter 2013

  • تاریخ انتشار: 1391/11/26
  • تعداد عناوین: 8
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  • Pavana Teja Pudota, Raghunandan Shurpali, Madhusudan Purohit*, G.V. Pujar Pages 7-18

    A series of novel bis-1,3,4-oxadizaoles were synthesized by oxidative cyclisation of respective Schiff bases derived from dicarbohydrazide using ceric ammonium nitrate (CAN) as catalyst. The synthesized compounds were screened for in vitro antibacterial activity against Staphylococcus aureus (MTCC 87), Escherichia coli (MTCC 46) and antifungal activity against Candida albicans (NCIM 3471) by two fold serial tube dilution method. The compounds were evaluated for in vitro cytotoxicity activity against human lung carcinoma cells (A-549) by standard MTT assay method. The DNA cleavage analysis of three compounds (4b, 4g and 4j) was also performed.

    Keywords: Bis, heterocycles, 1, 3, 4, oxadiazoles, Antimicrobial activity, Cytotoxicity activity, MTT assay, DNA Cleavage analysis
  • O. Ninis, S.M. Bouzzine, H. Toufik, F. Lamchouri, M. Abarkan, M. Hamidi, M. Bouachrine* Pages 19-32
    In this paper theoretical study by using DFT method on three conjugated compound based on 2-styryl-5-phenylazo-pyrrole is reported. These dyes contain one carboxy, two carboxy and one sulfonic acid anchoring groups, the aim is to investigate their effects on the electronic structure. The theoretical knowledge of the HOMO and LUMO energy levels of the components is cannot be ignored in investigating suitable materials for organic solar cells so the HOMO, LUMO and gap energies of the studied compound have been calculated and reported. These properties suggest these materials as good candidates for organic solar cells.
    Keywords: p-conjugated molecules, Organic solar cells, DFT, low band, gap, Electronic properties, HOMO, LUMO
  • Samaneh Heidari*, Kambiz Tahvildari Pages 33-42
    The Plastic Waste phenomenon, which is the result of increasing poly (ethylene terephthalate) production and the wide range PET consumption in different industries, caused one of the major environmental concerns. Therefore,many different ways have been studied and applied for chemical recycling of PET. One of the most important ways to depolymerize poly (ethylene terephthalate) is the aminolysis procedure. In the present study, PET aminolysis reactions have been done in order to optimizethe usage of polyester wastes.The compound of polyol obtained from aminolysis reactions could be an alternative of polyols used in common synthesizes of polymeric materials in order to produce new industrial polyesters and polymers with noble features.The products then was characterized by the use of analyzing tests such as hydroxyl value determination and total nitrogen measurement based on ASTM standards and systematic analysis by FTIR, 1H NMR, elemental analysis and differential scanning calorimetric (DSC).
    Keywords: Plastic waste phenomenon, Aminolysis, Chemical recycling, Alkanolamines
  • Mahboobeh Manoochehri*, Homayon Ahmad Panahi, Meghdad Karimi Pages 43-49
    A new Pb(II) imprinted mercapto functionalized Montmorillonite was synthesize by an easy one step reaction by combining a surface imprinting technique for selective phase extraction of Pb(II) prior to its determinations by flame atomic absorption spectroscopy. The modified sorbent was characterized by FTIR and studied for preconcentration and determination of Pb(II) in natural water samples. The optimum pH value for sorption of lead (II) was 5.5. A recovery of 100% was obtained for lead (II), with 0.5 M nitric acid as eluting agent. The kinetic study reveals good accessibility of the chelating sites in the imprinted sorbent for uptake of selected ion. The sorption capacity was obtained at 27 mg·g−1 at optimum condition and 20 oC.
    Keywords: Preconcentration, Surface imprinting technique, Solid, phase extraction
  • Saleh Soleimani, Ahmad Panah Azari, Rasul Sharifi, Seyyed Mohammad Atyabi, Dariush Norouzian* Pages 50-56
    Vegetable oils and fats in comparison with diesel fuel have high viscosity, by transesterification method the viscosity of oil can be decreased. Transesterification of triglyceride with alcohol is one of the methods for production of biodiesel. In this study sunflower oil, methanol and ethanol, with molar ratio of (1:3, 1:4, 1:6, 1:8) and temperature (40, 50, 60 º C) were dependent parameters employing potassium hydroxide as a catalyst at the concentration of 1%. The reaction was carried out for 90 min at 600 rpm. The product viscosity was measured at 40ºC. Gas chromatogram showed that the highest yield of methyl and ethyl ester of sun flower oil at 1: 8 molar ratio of oil to alcohol at 60 º C could be obtained. The conversion rates were 96% and 85% for methyl ester and ethyl ester respectively. It was found that temperature and the ratio of oil to alcohol are two important factors in biodiesel production and thus increasing biodiesel yields. The result suggested that molar ratio of methanol to oil (1:8) at 60 º C for biodiesel production is optimal.
    Keywords: Biodiesel, Triglyceride, Gas Chromatography, Methyl ester, Ethyl ester
  • Hassan Kabirifard*, Zeinab Alimardani, Natasha Ataeimehr, Gisa Rezai Pages 57-63
    3-Arylhydrazono-2,4-dioxo-4-phenylbutanoates have been prepared by the coupling of benzoylpyruvate with aryldiazonium chlorides. Reactions of the 3-arylhydrazono-2,4- dioxo-4-phenylbutanoates with 1-aminoguanidine, semicarbazide, and thiosemicarbazide gave 5-substituted 2-imino-6-azauracil (3a), 6-azauracil (3b), and 2-thio-6-azauracil (3c), respectively. The analytical data of these compounds - IR, 1H, and 13C NMR spectral data - are reported.
    Keywords: Coupling, Benzoylpyruvate, Arylhydrazone, 1, 2, 4-Triazin-5-one, 6-Azauracil
  • Reihaneh Safavi Sohi, Jahan B. Ghasemi* Pages 64-74
    One of the most applied methods in drug industry for development of new drugs is 3D QSAR methodology. As p38-mitogen-activated protein kinase (p38-MAPK) plays a crucial role in regulating the production of such proinflammatory cytokines as tumor necrosis factor-α (TNF-α) and interleukin-1, emerging as an attractive target for new anti-inflammatory agents, we used a 3D-QSAR based method of Comparative Molecular Field Analysis (CoMFA) on a series of 52 potent p38-MAP kinase inhibitors with IC50 ranging from 3.2 to 10,000 nM. An alignment rule for the compounds was defined using Distill in SYBYL 7.3. The best model was validated using a data set obtained by dividing the data set into a training set and test set using hierarchical clustering, based on the CoMFA fields and biological activities (pIC50). The best predictions were obtained with a CoMFA region-focusing model (R2 ncv = 0.952, q2 = 0.678, R2 Pred = 0.627). The statistical parameters from the model indicate that the data are well fitted and has high predictive ability. Moreover, the resulting 3D CoMFA contour maps provide useful guidance for designing highly active inhibitors.
    Keywords: CoMFA, P38, MAP kinase inhibitors, Rigid alignment, Anti, inflammatory drugs, Hierarchical clustering
  • Ali Mehdizadeh, Amir N. Ahmadi*, Fakhrosadat Fateminassab Pages 75-85
    1-ethyl-3-methylimidazolium ethyl sulfate [Etmim][EtSO4],1, 3-dimethylimidazolium methyl sulfate [Mmim][MeSO4] and 1-octyl-3-methylimidazolium nitrate [Omim][NO3] ionic liquids have been used in thermal oxidative desulfurization of model fuel oils consisting of 500 ppm solutions of benzothiophene (BT) and dibenzothiophene (DBT) in dodecane. The efficiency of sulfur removal from BT and DBT solutions by these ILs as well as the effect of anion and cation chain length have also been investigated. The ILs studied performed pretty efficiently in removal of sulfur containing compounds and sulfur contents have been reduced to 18-27% following the order below: [Mmim][MeSO4] > [Etmim][EtSO4] > [Omim][N 3]. To further study the performance of the ILs studied, multiple extractions of BT and DBT solutions were also carried out to reduce sulfur content to 81% and 68% for DBT and BT solutions, respectively, after 5 extraction cycles. These environmentally friendly ILs could also be quantitatively regenerated and were shown to be as efficient in sulfur removal after 5 regeneration cycles.
    Keywords: Desulfurization, Ionic liquids, Extraction, Benzothiophene, Dibenzothiophene