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Nanochemistry Research - Volume:7 Issue: 1, Winter-Spring 2022

Nanochemistry Research
Volume:7 Issue: 1, Winter-Spring 2022

  • تاریخ انتشار: 1401/04/12
  • تعداد عناوین: 8
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  • Faezeh Moghzi, Janet Soleimannejad * Pages 1-8
    Decavanadate based compounds as a class of polyoxometalates family are known for their wide range of applications in chemical, biological, and physical sciences. Considering the size-dependent chemical properties of polyoxometalates and the unique properties of decavanadates, the nanoscale (HNic)6[V10O28].H2O (1), an organic-inorganic hybrid compound was synthesized using ultrasound and in the presence of a weak solvent. The nanostructures were characterized by FT-IR spectroscopy, powder X-ray diffraction (PXRD), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), and elemental analysis. The results showed that by increasing the amount of the weak solvent, the size and crystallinity of nanoparticles decreased. Optical studies revealed a green emission with a maximum at 530 nm from nanoscale 1 which is assigned to O→V charge transfer transition and it was used for dopamine (DA) detection. Interestingly, nanoscale 1 catalyzed the in-situ formation of polydopamine nanoparticles, the formation of which decreased the fluorescence intensity of nanoscale 1 which was successfully utilized for naked-eye dopamine molecules detection.
    Keywords: Organic-inorganic hybrid, Polyoxovanadates, Nanomaterials, Optical sensing, Dopamine
  • Marzieh Piryaei *, Saeed Yosefzadeh Pages 9-14
    The present study synthesized the silica‐coated γ‐Fe2O3 nanoparticles (NPs) with a large surface area and employed it as a novel fiber coating for extracting and determining volatile compounds from Ziziphora tenuior in a minimum period of time without using solvents with head solid-phase microextraction. The simplex approach was applied to optimize all parameters concurrently. Major optimized parameters include temperature, extraction time, and sample weight. In optimal circumstances, the repeatability for one fiber (n=5) was at the range of 2.8 – 9.2 percent for the sample compounds, which is given as relative standard division (R.S.D. %). The approach suggested in this work provides advantages such as simple usage, short analysis time, cheaper equipment, high relative recovery, and fiber thermal stability compared to common analysis approaches. Our findings indicated that γ-Fe2O3@SiO2-PW fibers are appropriate for the HS-SPME analysis of essential oils.
    Keywords: Polyoxometalate, γ-Fe2O3 Nanoparticles, Heteropoly acid, Ziziphora tenuior, volatile compound
  • Mitra Madani, Mohammad Mansourian, Sanaz Alamdari *, Omid Mirzaee, Majid Jafar Tafreshi Pages 15-21
    Facile manufacturing of highly luminescence materials is in demand right now for a wide range of photonic applications. In this work, bismuth tungstate nanoparticles (Bi2WO6 NPs) were synthesized using a simple co-precipitation process at room temperature without using any hazardous solvents. The optical and structural properties of the prepared nanopowders were investigated using various techniques, and the photoluminescence measurement was performed using different excitation wavelengths. Bi2WO6 NPs were embedded in a flexible matrix, and their photoluminescence property was studied. X-ray diffraction (XRD) and Fourier-transform infrared spectroscopy (FTIR) investigations confirmed the successful synthesis of the related chemical binding in the synthesized nanostructure. According to the FESEM image, cubic-like and spherical-like particles were observed in the average diameter size of 0.9 μm. Some aggregates were detected in the prepared Bi2WO6 nanopowder, attributed to the larger Bi2WO6 particles. Intense luminescence colors of violet, blue, yellow, and red under ultraviolet excitation were obtained which could be a suitable candidate for photonic application.
    Keywords: Optical properties, luminescence, Synthesize, Bi2WO6
  • Zhila Nazarali, Sayed Ali Ahmadi *, Dadkhoda Ghazanfari, Enayatollah Sheikhhosseini Pages 22-27
    Bupropion is a drug primarily used for treating major depressive disorder and helping smokers quit smoking. Bupropion is a fairly effective antidepressant, but it leads to restlessness and palpitations at relatively high doses. In addition, it is used as an adjunct in cases where the patient has an incomplete response to first-line SSRI antidepressants. Bupropion is also the only drug approved for seasonal affective disorder. In the present work, the properties of bupropion related to reactivity and the chemical structure regarding its medicinal properties  were obtained in the adsorption process of bupropion on fullerene (as an adsorbent) in the gas phase using DFT / B3LYP / 6-311 + G (d, p). Further, the adsorption phenomenon on the fullerene molecule was chemically studied and the adsorption energy was calculated.  Chemical structure parameters including dipolar moment (µ=1.2151), thermodynamic properties including Gibbs free energy (G=-2879.11 kJ), enthalpy (H=-2879.45 kJ), entropy (+75.26 kJ/mol) as well as thermodynamic capacity (98.32 kJ/mol)), and electronic parameters (σ (0.51), µ(-4.06), ω(4.20), χ(4.06), and η(1.96) all data in eV ) which are effective in justifying the chemical behavior of the compound were calculated. Calculating stability and reactivity by HOMO (-6.03 eV) and LUMO (-2.03 eV) bupropion energies, five chemically active regions for bupropion were found, all of which had thermodynamic stability. This study indicated that his adsorption helps to transfer bupropion to biological systems.
    Keywords: DFT, Bupropion, C60, Reactivity, Stability
  • Hossein Shahbazi-Alavi *, Javad Safaei-Ghomi Pages 28-35
    Nano-Fe3O4–L-cysteine as a superior catalyst was applied for the synthesis of pyrimidine-trions by three-component reactions of N,N-dimethylbarbituric acid, benzaldehydes and para-methyl aniline or para-methoxy aniline under ultrasonic irradiation in ethanol. The catalyst was characterized by SEM, FT-IR, XRD, TGA, EDS and VSM. In addition, screening diverse catalysts containing Et3N, p-TSA, nano NiO, nano Fe3O4, cysteine and nano-Fe3O4–L-cysteine revealed nano-Fe3O4–L-cysteine (4 mg) as the most effective catalyst to perform this reaction under ultrasonic irradiation in ethanol. Further, the compounds 4b (5-((2-amino-5-methoxyphenyl)(4-(methylthio)phenyl)methyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione), 4c (5-((2-amino-5-methoxyphenyl)(4-chlorophenyl)methyl)-1,3- dimethylpyrimidine 2,4,6(1H,3H,5H)-trione) and 4f (5-((2-amino-5-methylphenyl)(2,4-dichlorophenyl)methyl)-1,3-dimethylpyrimidine-2,4,6 (1H,3H,5H)-trione) have moderate growth inhibitory effects on Gram positive bacteria (Staphylococcus aureus, Bacillus subtilis; and Staphylococcus epidermidis). The compound of 4b has moderate growth inhibitory effects on fungi. This technique provides  several benefits including the use of ultrasonic irradiation, great yields in concise times, retrievability the nanocatalyst and low nanocatalyst loading. The present catalytic method is extensible to a wide range of substrates for the preparation of a variety-oriented library of pyrimidines.
    Keywords: nanocatalyst, Pyrimidines, ultrasonic, Antimicrobial, Nano-Fe3O4
  • Razieh Razavi * Pages 36-43
    In this study, DFT, B3LYP/6-311++G(2d,2p) was used for discovering the reactivity properties and doping of triclosan on C60 (ih) in gas and water phases. Chemical structure (dipole momentum), thermodynamic properties (Gibbs free energy, enthalpy, entropy and thermal capacity), electronic parameters (σ, µ, ω, χ, and η), NBO, and IR spectrum were calculated. According to the calculated HOMO and LUMO energies, triclosan is stable and reactive. Triclosan has seven active sites all of which are thermodynamically stable.
    Keywords: DFT, Triclosan, C60, Bucky ball, Reactivity
  • Hossein Shahbazi-Alavi *, Javad Safaei-Ghomi Pages 44-52
    H3PW12O40-amino-functionalized CdFe12O19@SiO2 nanocomposite has been utilized as an effective nanocatalyst for the preparation of thiazole-2(3H)-thiones by three-component reactions of CS2, 2-bromoacetophenone or 2-bromo-1-(4-methoxyphenyl) ethenone, and a primary amine in ethanol. H3PW12O40-amino-functionalized CdFe12O19@SiO2 nanocomposites have been identified by powder X-ray diffraction (XRD), scanning electronic microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), vibrating sample magnetometer (VSM), thermal gravimetric analysis (TGA), and Fourier transform infrared (FT-IR) spectroscopy. The compounds 4b (3-(3,4-dichlorobenzyl)-4-phenyl-1,3-thiazole-2(3H)-thione), 4e (3-(4-Fluorobenzyl)-4-phenyl-1,3-thiazole-2(3H)-thione), 4f (3-(2-Methoxybenzyl)-4-phenyl-1,3-thiazole-2(3H)-thione), and 4j (3-(2-Methoxybenzyl)-4-(4-methoxyphenyl)-1,3-thiazole-2(3H)-thione) have moderate growth inhibitory effects on Gram positive bacteria (Staphylococcus aureus, Bacillus subtilis; and Staphylococcus epidermidis). In addition, the compound 4b has moderate growth inhibitory effects on fungi. The salient features of this protocol include great yields in concise times, retrievability of the nanocatalyst, little nanocatalyst loading, and antibacterial activities for four compounds.
    Keywords: Thiazole-2(3H)-thione, Nanocomposites, nanocatalyst, Antimicrobial, One-pot
  • Nooshin Heydarian Dehkordi *, Morteza Raeisi, Sanaz Alamdari Pages 53-61
    In this research, Cadmium tungstate (CdWO4 or CWO), CWO: Gd, CWO: Ag, Ag and Gd-doped CWO (co-doped CWO) nanopowders were synthesized by using a simple chemical method. In addition, their microstructure and optical properties were characterized by applying different techniques. For example, XRD patterns revealed the purity of the synthetic nanopowders, and XPS results showed the Cd, W, O, Ag, and Gd characteristic peaks in the nanopowders. Further, the SEM and TEM images indicated that the size of the nanoparticles is distributed over the range of 24 to 63 nm. The shape and size of the nanoparticles in co-doped CWO were nanorod and reduced by half. Furthermore, UV-Vis spectra indicated that their bandgap energies vary from 5.3 to 5.55 eV. The PL and IBIL spectra exhibited light emission in the blue-green range at 468 and 495nm, respectively, at room temperature. The excited electrons in the 1T1u level of the WO66- complex were trapped in the 6IJ level of Gd3+ by cross-relaxation. The plasmonic effect of Ag+ ions and fluorescence resonance energy transfer (FRET) to the energy level of 3T1u increased the total intensity in the PL and IBIL spectra. Synthesized nanopowders are proper alternatives to fluorescent single crystals and produce nanocomposite flexible scintillators for ionizing radiation detection.
    Keywords: Ag, Gd-doped CWO, morphology, Optical properties, size, Cross-relaxation