فهرست مطالب

  • Volume:6 Issue:2, 2019
  • تاریخ انتشار: 1398/01/11
  • تعداد عناوین: 5
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  • Guhanathan Selvam *, M.SATHIYA MURUGESAN, sangeetha Uthaikumar Pages 66-75
    The synthesis, structure and biological activity of carbazole compounds has been long focus of research interests in the field of medicinal chemistry. 5,8-dibromo-5,6-dihydro(3,2-a)carbazole A have prepared in good yield by a free radical bromination reaction of 8-bromo-5,6-dihydro9(3,2-a)carbazole with N-bromosuccinimide in carbontetrachloride at ambient temperature.. Compound 2 have prepared by free radical brimination method in carbontetrachloride at 40°C. Synthesis of compound C have carried out by free radical bromination with 5-bromo-1,2,3,4-tetrahydrocyclopenta(b)indole as reactant, in dichloromethane at ambient temperature. Compound 2, 4, and 6 were synthesized by N-bromoacetylation method using bromoacetylbromide as reactant. All the synthesized compounds were characterized and confirmed by various instrumental techniques Viz, UV-visible, FTIR, 1H NMR, 13C NMR and Mass spectroscopy. All the synthesized compounds were subjected to the antibacterial evaluation with standard Ciprofloxacin. The results showed that the synthesized compounds exhibit excellent antibacterial activity.
    Keywords: N-bromosuccinimide, bromoacetylbromide, carbontetrachloride, Carbazole deivative
  • Meysam Rezaei *, Reza Tarvirdi, zadeh Pages 76-86
    In this study, linear alkyl-benzene calcium sulfonate nanoparticles were made using linear alkylbenzene. Calcium sulfonate nanoparticles are widely used as an additive in a variety of engine oils and have cleansing, anti-wear and anti-oxidant properties and anti-corrosion properties. In this method, a sulfonation set up was constructed and sulfonation reaction was carried out both directly and indirectly with Oleum, which in the indirect method had better yield and the amount of acid used was much less. Sulfonation was carried out on two types of light and heavy alkylbenzene the calcification step was carried out with CaO, and then the supernatural stage and carbonation with CO2 and CaO were performed for the first time with Ethanol green promoter, and The Total Base Number amount of for calcium was measured at different times. Carbonation time is very important and sensitive. In this research, residual sediments were reused in the carbonation reaction, and excellent results were obtained. It was also observed that the synthesis of linear calcium sulfonate nanoparticles with a high Total Base Number and a stable structure can only be carried out with heavy alkylbenzene C26. In this work, linear calcium sulfonate alkylated benzene nanoparticles were made completely transparent. (and) The Total Base Number 470, and the weight percent of calcium also reached 17.4, and the nanoparticle stability was also tested using the standard ASTM D2273 method. This result compared with two commercially available linear calcium sulfonate nanoparticles.
    Keywords: Sulfonation, alkylbenzene, overbased, linear alkylbenzene calcium sulfonate
  • majed amini, Ahmad Ramazani S.A *, Amanj Kheradmand Pages 87-108
    The use of UHMWPE has attracted the attention of many researchers and industries. The aim of the present work is to fabricate UHMWPE/MoS2-Oxide nano-composites using in-situ polymerization. For this purpose, modified molybdenum disulfide was used. In order to perform the polymerization, a Ziegler-Natta catalytic system, with MoS2-Oxide and magnesium Ethoxide as support, was used. In order to fabricate nano-composites with different filler percentages, the length of polymerization was varied while other parameters were constant. A significant increase in some of the mechanical properties such as modulus and yield stress confirms the effectiveness of interactions between the nano-particles and the matrix. Thermal properties of the obtained nano-particles were analyzed by DSC and TGA analysis. Results of these analyses indicate an increase in crystallinity, melting temperature and improvement in thermal stability of the samples. Mechanical properties analysis indicates a significant increase in the modulus and tensile strength of nano-composites containing filler compared with pure polymer.
    Keywords: in-situ polymerization, UHMWPE, Nano-composite, MoS2-Oxide, Ziegler-Natta catalysis
  • Mahdi Rezaei Sameti *, Sedigheh Azadi doureh Pages 109-132
    In this work, by using density functional theory, the adsorption of Nitramide (NH2NO2) molecule on the surface of pristine, B, As and B&As doped (4,4) armchair aluminum nitride nanotube (AlNNTs) is investigated. From optimized structures the adsorption energy, deformation energy, natural bond orbital (NBO), atom in molecule (AIM), quantum parameters, reduced density gradient (RDG) and molecular electrostatic potential (MEP) are calculated. The calculated results indicate that the adsorption energy values of NH2NO2 on the surface of pristine, As, B and B&As doped AlNNTs complex are negative and favorable in viewpoint of thermodynamic. Moreover the adsorption of NH2NO2 molecule on the surface of B&As doped AlNNTs is more stable and favorable than other models. It is notable that with doping B&As atoms in AlNNTs the deformation energy of NH2NO2 and nanotube are less than other models. The results of AIM and RDG outcomes demonstrate that nature of binding NH2NO2…AlNNTs is covalent bond type, indicates strong interactions. The results of NBO & Mulliken partial charge transfer, HOMO-LUMO, total charge transfer parameters (ΔN) and molecular electrostatic potential (MEP) display that the charge transfer occurred from NH2NO2 molecule toward nanotube surface and electrical properties of system change significantly from original state. The results of this study reveal that the B&As doped AlNNTs is a good adsorbent for NH2NO2 molecule.
    Keywords: Nitramine, B&As doped, AlNNTs, AIM, NBO
  • Rahim Faraji, Shahab Moeinian*, Leila Fathahiyan, Maryam Godarzi, Ashkan Nasrolah Kalantari Pages 133-142
    In this article, synthesis of the explosive synthesis of tetrazolo [1,5-b][1,2,4]triazine from the reaction of 1,5-diaminotetrazole with glyoxal in different conditions of temperature, with density functional theory method were studied. For this purpose, at first the material contained in the both sides of reaction were geometrically optimized, then the calculation of the thermodynamic parameters performed on all of them. The amount of ∆H, ∆S and ∆G of this reaction at different temperatures in form of sum of parameters discrepancy in the products than reactants is obtained. And finally, the best temperature for the synthesis of explosive according to the obtained thermodynamic parameters were evaluated.
    Keywords: tetrazolo [1, 5-b][1, 2, 4]triazine, Density Functional Theory, 1, 5-diaminotetrazole, glyoxal, Thermodynamic parameters