فهرست مطالب

  • Volume:7 Issue: 2, 2020
  • تاریخ انتشار: 1399/01/13
  • تعداد عناوین: 6
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  • Mohammad Reza Jalali Sarvestani *, Maryam Gholizadeh Arashti, Betty Mohasseb Pages 87-100
    In this research, IR and frontier molecular orbital (FMO) computations were employed for investigating the performance of B12N12 as a novel recognition element for fabrication of quetiapine thermal and electrochemical sensors. All of the computations were done by density functional theory method in the B3LYP/6-31G(d) level of theory and in the aqueous phase. The obtained enthalpy changes (ΔHad), Gibbs free energy variations (ΔGad) and thermodynamic equilibrium constants (Kth) indicated that quetiapine interaction with boron nitride nanocage is exothermic, spontaneous, irreversible and experimentally feasible. The bond lengths between the adsorbent and the adsorbate and adsorption energy values showed quetiapine interaction with B12N12 is a chemisorption. The temperature was also optimized and the findings revealed 298.15 K is the best temperature for quetiapine adsorption on the B12N12 surface. The DOS spectrums showed B12N12 is an appropriate electroactive recognition for fabrication of new quetiapine electrochemical sensors. The specific heat capacity values (CV) proved the thermal conductivity of quetiapine has improved after its interaction with the nanostructure. Some structural parameters including energy gap, chemical hardness, chemical potential, electrophilicity, maximum transferred charge, zero-point energy and dipole moment were also calculated and discussed in details.
    Keywords: Quetiapine, density functional theory, Boron nitride nanocage (B12N12), Adsorption, sensor
  • Vahid Amani * Pages 101-110
    The new complex of [H2en][Cu(pydc)2].2H2O (1) (where H2en and pydc are ethylenediammonium and 2,6-pyridinedicarboxylate, respectively) was synthesized by the reaction of a mixture of ethylenediamine (en) and 2,6-pyridinedicarboxylic acid (H2pydc) in a mixture of CH3OH/H2O as solvent. This complex was fully characterized by elemental analysis, IR, UV–Vis spectroscopy as well as single-crystal X-ray diffraction method. The crystallographic analysis revealed that the complex of 1 consists of discrete [Cu(pydc)2]2- anion, two bis(protonated) ethylenediamine cation and two crystal water molecules. In the anionic part of this complex, the copper(II) cation is coordinated by two tridentate pydc anionic ligands through the two oxygen atoms of two carboxylate groups and one nitrogen atom of pyridine ring. Also, in this complex, intermolecular C-H…O, N-H…O and O-H…O hydrogen bonds and the strong π…π interactions between the pyridine rings are effective on the stabilization of the crystal packing.
    Keywords: Cu(II) complex, Crystal structure, Ethylene diamine, 6-Pyridinedicarboxylic acid
  • Maryam Mozafarjalali, Mahmood Hajiani *, Aminoddin Haji Pages 111-124
    Dye-containing wastewater is one of the main environmental challenges that can cause health issues. It is crucial to remove the dyes from wastewater before its discharge into the environment. This study aims to evaluate the efficiency of aptenia cordifolia mucilage in removal of anionic dyes from textile wastewater via coagulation and flocculation process. To this goal, the effect of different parameters including pH, initial dye concentration, concentration of plant mucilage and temperature on the efficiency of dye removal were investigated. The effect of application of poly(propylene imine) dendrimer (PPI) with the plant mucilage on the efficiency of dye removal process was evaluated. The results showed that the maximum dye removal with aptenia cordifolia (85.41 %) was obtained when using 5 mg of the plant mucilage at 25 °C and pH=4. Moreover, it was found that increasing the concentration of the plant mucilage and the initial dye concentration increased the dye removal efficiency. The application of 1 mg poly(propylene imine) dendrimer increased the efficiency of plant mucilage in the removal of anionic dye from aqueous solution from 85.41% to 92.18%. According to the results of this study, the application of aptenita cordifolia mucilage can be a beneficial, affordable and environmentally-friendly approach in the removal of textile anionic dyes from aqueous solutions.
    Keywords: Wastewater, Phytoremediation, Flocculation, Coagulation, Dendrimer
  • K. Peer Mohamed *, A. Maajitha Begam, P Kandasamyprabakar, C. Christobher Pages 125-136

    Abstract Nature has been a wellspring of therapeutic operators for a huge number of years and an exceptional number of present day drugs have been secluded from common sources. Higher plants, as wellsprings of restorative mixes, have kept on assuming a prevailing part in the support of human wellbeing since old circumstances. More than half of all cutting edge clinical medications are of characteristic item starting point and assume a critical part in tranquilize advancement programs in the pharmaceutical business. Blepharis is an Afro-asiatic class including 129 species, having a place with the family Acanthaceae, broadly circulated in bone-dry and semi-dry natural surroundings. A portion of the animal varieties incorporate B. attenuata Napper, Blepharis edulis, B. sindica, and B. maderaspatensis. Blepharis maderaspatensis (L.) Heyne ex Roth is utilized for treatment of various illnesses like dysuria, cerebral pain, and maladies of sensory system, diuretic and love potion. These plants show an extensive variety of pharmacological exercises including cell reinforcement, mitigating, hostile to joint, antimicrobial, antifungal, against ulcer and cytotoxic exercises. Some settled pharmacological exercises of these plants have been talked about in this article. Wide varieties of the plants and their dynamic standards have been assessed for pharmacological properties. The plant species being generally conveyed can be utilized as another option to the customary medications. Subsequently, there is a need to know the plausibility of utilizing removes and bioactive mixes got from such plants for the control of perpetual infections as asserted by customary healers.

    Keywords: Antimicrobial activity, anti cancer, Antioxidant, larvicidal, anti inflammatory activity etc
  • Mohammad Ashrafi, Behzad Gholamveisi, Behzad Kazemi Haki, Hamid Kazemi Hakki * Pages 137-149
    In this study, the complexation reaction between Alprazolam (ALP) and metal ions (Zn2+, Ni2+, Cu2+ and Co2+) was investigated by using spectrophotometry in ethanol solvent. The stoichiometry of M+/ALP complexes was calculated by applying the Job, molar ratio and Continuous Changes methods and the relevant diagrams were plotted for each metal ions in each method. The results show that the obtained complexes are 1:3. In the Continuous Changes method a defeat was observed at molar fraction of 0.66 for all complexes, which confirms complexes with 1:3 mole ratio. The formation constants of complexes were determined by using nonlinear least square method (KINFIT software) and it was concluded that the stability of complexes is varied in the order Cu2+> Co2+> Ni2+ > Zn2+. Therefore, Cu is the strongest and Zn formed with Alprazolam ligand is the weakest complex.
    Keywords: Spectrophotometric, Alprazolam, Metal ions, stability, Complexation reaction
  • Mohamed S. Nagar * Pages 150-168
    As part of the development of equipment and innovative technology for the process flow-sheet, a study on the selection of good resin for uranium uptake is ongoing. Both static and dynamic column equilibrium testing upon synthetic and Gattar pregnant leach solutions (PLS) were carried out to estimate the change of total capacity and breakthrough capacity of the commercial macroporous anion exchange resin (D201). Applying the static and dynamic methods upon synthetic uranium sulphate solution, the maximum adsorption capacity of uranium (VI) upon D201 resin was evaluated to be 105 and 101.2mgU/g respectively. The macroporous D201 resin has been found to agree with the Langmuir isotherm. Finally, the optimized factors have been carried out for uranium recovery from Gattar pregnant leach solution, under the optimized working conditions, about 93 and 90 % of the resin theoretical capacity was realized using both static and dynamic techniques respectively.
    Keywords: Uranium, Adsorption, Breakthrough, D201resin, Gattar