Sima Dehghani Department of Chemistry, Payame Noor University, PO Box 19395-3697 Tehran, Iran author Maria Merajoddin Department of Chemistry, Payame Noor University, PO Box 19395-3697 Tehran, Iran author Abdolkarim Zare Department of Chemistry, Payame Noor University, PO Box 19395-3697 Tehran, Iran author text article 2019 eng Acidic ionic liquid pyridinium-N-sulfonic acid bisulfate ([Py-SO3H][HSO4]) has effectively catalyzed the production of 3, 4-dihydropyrimidin-2 (1H)-ones via the condensation reaction of the arylaldehydes with β-ketoesters and urea under solvent-free conditions. Due to the dual-functionality of [Py-SO3H][HSO4] (bearing acidic and basic sites), it was highly effective and general catalyst for the reaction. Additionally, an attractive mechanism for the dual-functionality of the catalyst was proposed. Sami Publishing Company (SPC) 2645-775X 2 v. 4 no. 2019 367 375 https://www.ajnanomat.com/article_85817_44d2543f3181daec75fbb65c3ae744cc.pdf dx.doi.org/10.26655/AJNANOMAT.2019.4.1 Prabhpreet Kaur Department of Biotechnology, Guru Nanak Girls College, Model Town, Ludhiana, India author Ratika Komal Department of Biotechnology, Guru Nanak Girls College, Model Town, Ludhiana, India author text article 2019 eng The synthesis of metal nanoparticles through biological approach is an important aspect of biotechnology. The biological method provides a feasible alternative as compared to chemical and physical methods. The synthesis of metal nanoparticles using plant derived materials is an effective method for the production of metal nanoparticles.This work reports the rapid biosynthesis of silver nanoparticles from plant extract Cucurbita pepo. The plant extract was prepared using two different solvents i.e. double distilled water and 70% ethanol by hot percolation method. The sample was subjected to different reaction conditions i.e. pH (3, 7, 9) and temperature (0 °C, r.t., 37 °C, 60 °C, 100°C). The preliminary characterization of nanoparticles was done by using UV-VIS spectrophotometer at different wavelengths on the basis of color of the sample obtained from different solvents. Confirmatory analysis of the synthesized silver nanoparticles were done by energy dispersion X-ray spectrometer (EDS) and transmission electron microscopy (TEM). These biosynthesized silver nanoparticles were used in the evaluation of antimicrobial activity that was done by Minimum Inhibitory concentration method against different pathogenic strains. The detection, analysis of presence of metal ions in the synthesized silver nanoparticles by using UV-VIS spectrophotometer at 630 nm. Sami Publishing Company (SPC) 2645-775X 2 v. 4 no. 2019 376 398 https://www.ajnanomat.com/article_85827_7ec3a72a93c4d73d422c15db1371196f.pdf dx.doi.org/10.26655/AJNANOMAT.2019.4.2 Mahdi Rezaei Sameti Department of Applied Chemistry, Faculty of Science, Malayer University, Malayer, 65174, Iran author text article 2019 eng In this research, the interaction of the acrolein (Acr) molecule with the pristine and Ga‒doped boron phosphide nanotube (BPNTs) was investigated using the density functional theory (DFT). The electrical, quantum, thermodynamic properties, natural bond orbital (NBO), reduced density gradient (RDG), atom in molecule (AIM), and molecular electrostatic potential (MEP) for all studied models were calculated and analyzed. The results revealed that the thermodynamic parameters (∆H and ∆G) values for all studied models were negative and favorable in thermodynamic point of view. By doping the Ga atom and adsorbing Acr molecule, the HOMO, LUMO, gap energy, conductivity, and optical properties of the nanotube altered slightly from the original values. Whereas, the global hardness and chemical potential of the Ga-doped increased slightly from pristine state and the activity of system decreased slightly from the original state. In addition, the AIM parameters and RDG results showed that the covalent bonding interaction between Acr and BPNTs was so strong. Sami Publishing Company (SPC) 2645-775X 2 v. 4 no. 2019 399 412 https://www.ajnanomat.com/article_85846_acd85ff4bce9a719e66fcd1d0f320164.pdf dx.doi.org/10.26655/AJNANOMAT.2019.4.3 Mostafa Karami Department of Chemistry, Payame Noor University, PO Box 19395-3697 Tehran, Iran author Maryam Maghsoudi Department of Chemistry, Payame Noor University, PO Box 19395-3697 Tehran, Iran author Maria Merajoddin Department of Chemistry, Payame Noor University, PO Box 19395-3697 Tehran, Iran author Abdolkarim Zare Department of Chemistry, Payame Noor University, PO Box 19395-3697 Tehran, Iran author text article 2019 eng In this research study, highly effective preparation of 4H-pyrano[2, 3-c]pyrazoles was discussed. The one-pot multi-component reaction between the malononitrile, arylaldehydes and 3-methyl-1-phenyl-1H-pyrazol-5 (4H)-one using protic acidic ionic liquid N1, N1, N2, N2-tetramethyl-N1, N2-bis (sulfo) ethane-1, 2-diaminium trifluoroacetate ([TMBSED][TFA]2) under the mild and solvent-free conditions have furnished the title compounds with high yields in short times. Additionally, an attractive mechanism considering dual-functionality of the catalyst was proposed ([TMBSED][TFA]2 with acidic and basic sites). Sami Publishing Company (SPC) 2645-775X 2 v. 4 no. 2019 413 420 https://www.ajnanomat.com/article_85847_9e61c239228de1fb2a2a9ddac09ad592.pdf dx.doi.org/10.26655/AJNANOMAT.2019.4.4 Ghazaleh Allaedini Department of Chemical and Process Engineering, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor, Malaysia author Siti Masrinda Tasirin Department of Chemical and Process Engineering, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor, Malaysia author text article 2019 eng There has been an increase in carbon nanotubes (CNT) uses in different industries; however, its impact on the environment is still under a vast consideration and investigation. In this research study, the soil with staphylococcus has been exposed to pure TiO2 and TiO2/CNT. Also, the community of the staphylococcus was studied using the scanning electron microscopy (SEM). It has been observed that, the microbial community has decreased tremendously after the titanium oxide was doped with CNT. This study suggests that, the TiO2/CNTs can be a much more effective potential material for altering the microbial community compared with the TiO2. These findings could be useful for creating antibacterial agents for the soil using TiO2/CNTs nano hubrid .Further investigation of the TiO2/CNTs mechanism could prove useful for industrial uses or altering microbial communities. Sami Publishing Company (SPC) 2645-775X 2 v. 4 no. 2019 421 424 https://www.ajnanomat.com/article_86077_f488a4f804d7d81b952784713ac4c3fe.pdf dx.doi.org/10.26655/AJNANOMAT.2019.4.5 Shah Rukh Special Centre for Nanoscience, Department of Physics, NIT Srinagar, J&K, India-190006 author Ashaq Hussain Sofi Special Centre for Nanoscience, Department of Physics, NIT Srinagar, J&K, India-190006 author Mohammad Ashraf Shah Special Centre for Nanoscience, Department of Physics, NIT Srinagar, J&K, India-190006 author Shayista Yousuf SSM College of Engineering and Technology, Baramulla, J&K, India-193121 author text article 2019 eng In this research study, the magnesium oxide nanoparticles were synthesized using an inexpensive and simple hydrothermal method. A pure magnesium metal powder, de-ionized water, and hydrogen peroxide (H2O2) was utilized as the starting materials. The synthesized MgO was dense, uniformly distributed with a relatively spherical shape, without any cracks and voids as confirmed by the scaning electron microscopy (SEM) analysis. The structure was crystalline with a high purity. No other peak corresponding to any other material or metal could be ascertained from powder X-ray diffraction (XRD) pattern. The crystallite size of the prepared samples was found to be nearly 18 nm which was favorable for antibacterial activity. The antibacterial activity of MgO nanostructures was carried out by using disc diffusion method. The inhibition zones of diameters = 1 mm were observed in case of salmonella and Staphylococcus aureus, however, in case of E. Coli inhibition zones of diameter = 2 mm was obtained. Sami Publishing Company (SPC) 2645-775X 2 v. 4 no. 2019 425 430 https://www.ajnanomat.com/article_88468_edb9c5aece9bd6e985c2355b3cba822b.pdf dx.doi.org/10.26655/AJNANOMAT.2019.4.6 Mariam Farag Ambaraka Department of Chemistry, Faculty of Science, University of Benghazi, Benghazi, Libya author Fawzia Muftah Aljazwia Department of Botany, Faculty of Science, University of Benghazi, Benghazi, Libya author Randa Fawzi Alsupikhe Department of Botany, Faculty of Science, University of Benghazi, Benghazi, Libya author text article 2019 eng TiO2 nanoparticles were synthesized using a simple reaction of TiCl4 with different types of primary and secondary alcohols. Four different alcohols (ethanol, isopropyl, isobutyl, and isobentyl alcohol) were investigated. The experiments were carried out to compare the products of the reactions with different precursors. The gelatine products were calcined at 400 °C and at 1000 °C in a box furnace and the effect of calcination temperature on the feature of nano-particles was studied. The synthesized TiO2 nanoparticles were characterized using X-ray diffraction (XRD) and scanning electron microscopy (SEM). The results revealed that the average particle size was 8.9-18.4 nm. The antibacterial result of titanium dioxide nanoparticles at four types of bacteria was two gram-positive (Staphylococcus aureus and Streptococcus sp.) and two gram-negative (Escherichia coli and Klebsiella sp.). Also, nanoparticles titanium dioxide did not have any effect on these types of bacteria. The sol-gel method could be used for applications that involve nano-crystalline TiO2 with anatase phase with low cost and simple preparation. Sami Publishing Company (SPC) 2645-775X 2 v. 4 no. 2019 431 438 https://www.ajnanomat.com/article_89679_117fd3139c8c8798c22e23084b908547.pdf dx.doi.org/10.26655/AJNANOMAT.2019.4.7 Md Nuruzzaman Sarker Department of Physics, European University of Bangladesh, Dhaka-1216, Bangladesh author Ajoy Kumer Department of Chemistry, European University of Bangladesh, Dhaka-1216, Bangladesh author Mohammad Jahidul Islam Department of Physics, European University of Bangladesh, Dhaka-1216, Bangladesh author Sunanda Paul Department of Biochemistry and Molecular Biology, University of Chittagong, Chittagong, Hathazari-4334, Bangladesh author text article 2019 eng Cannabicyclol, also called CBL, is one of the least known and studied isomer of cannabinoids in the cannabis plant, and it is the precursor of the different cannabinoids found in marijuana plant having with widespread medicinal use. In this work, the thermophysical properties of CBL such as, free energy, entropy, dipole moment, binding energy, nuclear energy, electronics energy, and heat of formation were estimated using density functional theory for developing use as pharmaceutical pursues. In addition, the chemical reactivity properties including highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO), HOMO-LUMO gap, ionization potential, electronegativity, hardness, softness, and electron affinity were evaluated. It was found that, the magnitude of HOMO was -8.98 and -8.53, LUMO was 0.19, -0.31 and HOMO –LUMO gap was -9.17 and -8.22 eV of CBL and CBG, respectively. The vibrational spectrum and electronics spectrum were simulated for identification and characterization. These studies provided a proper and predictable data for further use in any chemical and pharmaceutical purpose. Sami Publishing Company (SPC) 2645-775X 2 v. 4 no. 2019 439 447 https://www.ajnanomat.com/article_91528_291a0246c82ffb71925208b2effa65f9.pdf dx.doi.org/10.26655/AJNANOMAT.2019.4.8