International Journal of new Chemistry
Volume:8 Issue: 3, Summer 2021

In this study, Bismuth oxide supported by copper nanoparticles were successfully synthesized by hydrothermal method and the effect of pH, catalyst dose of initial dye concentration was studied. It has shown excellent photocatalytic performance in the degradation of methyl orange dye under UV light, so that 93.76% degradation was obtained at acidic pH and color concentration of 20 mg/l with 0.04 g/l photocatalyst. The kinetic study reacted that the Pseudo-first-order model is the best model for the photocatalytic degradation of methyl orange. In addition, the reuse test showed that the nanocomposite, after 4 reuse periods maintained its stability in high colour removal. Therefore, it can be safely said that the nanocomposite due to its good photocatalytic performance can be used as a promising photocatalyst for the treatment of environmental pollutants on a large scale.

In an attempt to develop the methodologies used for oil spill clean-up, polyurethane sponge was modified by deposition of NiFe2O4 nanoparticles on the surface of the original polyurethane sponge under ultrasonic treatment. The fabrication process was facile and low-cost. The as-prepared magnetic sponge exhibited remarkable features including great porosity,high oil adsorption capacity, hydrophobicity, and reusability. In addition,the magnetic property of the modified sponge facilitated the process of oil-water separation. Indeed, the hydrophobicity of the modified spongecontributed to the adsorption of different types of oil and organic solvent on the sponge surface. The modified sponge exhibited the same characteristic peaks as those of the NiFe2O4 magnetic nanoparticles, ascertaining the formation of the crystalline nickel ferrite nanoparticles. The XRD and FTIR results proved the formation of the composite. FESEM images of the nanocomposite showed a highly porous mulberry-like structure with a rough skeleton. More importantly, the oil and water contact angle measurements proved the hydrophobicity of the modified sponge.

Amphiphilic pyridinium fluoride is the novel class of ionic liquid for drug discover for their biological and pharmacological activity. In this case, amphiphilic pyridinium cation was selected to this study. Changing the alkyl chain length, the effect was estimated on thermophysical, chemical, and biological activity. Using density functional theory (DFT), thermophysical and HOMO, LUMO were optimized and calculated. From HOMO, LUMO, the ionization energy, electronegativity, softness, hardness, electrophilicity (ω), and chemical potential (μ) were calculated. The HOMO, LUMO, and HOMO-LUMO gap are near to-8.85, -0.85, and 8.0. From QSAR study, the value of the Log P is from +1.5 to +2.6 as hydrophobic nature. As is observed the pharmacokinetics data, the Lipinski rule, bioavailability score, leadlikeness, solubility, and LogP o/w were calculated.

Azolla is a wealthy source of β-carotene. The purpose of this study was to isolate, purify and identify the β-carotene in Azolla Pinnata R. Br. plant. In this order, dry and fresh of A. Pinnata R. Br. were used and their β-carotene was extracted using the Acetone/Hexane solvent system. For the purification of β-carotene extracted, the column chromatography was used. In the following, an HPLC technique optimized for β-carotene designation and compared with a spectrophotometric standard method. The most appropriate sample conditions were: extraction with Hexane/Acetone 60:40 (v/v) and MeOH/THF/Water 67:27:6 (v/v) as mobile phase. The results indicated that the fresh sample has almost two times higher β-carotene comparing to the dried sample. So due to the importance of β-carotene as an antioxidant in one hand and the free of cost of mass production of A. Pinnata on another hand, the application of the water fern can be feasible for commercially β-carotene purification.

The hydrogen bonding interaction plays an important role in determining the shape, the structure, and stability, physical properties, and functions of molecules. In the current research, two intermolecular interactions, i.e., (1) hydrogen bonds and (2) substituent effects, were analyzed and compared. For this purpose, the geometries of 2-pyridone and its substituted dimers (C5H4X N (O) X = F, Cl, and Br) were optimized by means of B3LYP/6-311 + +G (d, p) method. The dependence between the strength of hydrogen bonding and the H···Y distance is discussed for the hydrogen bonds N-H…O (X = N; Y = O) system. The N-H…O angle is another geometrical characteristic of hydrogen bonding. To further investigate of nature and strength of hydrogen bond interactions in these systems the structural and electronic parameters were analyzed by using the quantum theory of atoms in the molecule (QTAIM) and natural bond orbital (NBO) analyses. Natural bond orbital (NBO) analysis was performed to reveal the origin of the interaction.

As an additional strategy to reduce carbon dioxide in carbon capture and storage, carbon sequestration, and utilization (CCU) is of great importance worldwide. Potential applications of the CCU range from using carbon dioxide in greenhouses and agriculture to converting carbon dioxide into fuels, chemicals, polymers, and building materials. CO2 has been used for decades by advanced technologies in various industrial processes, including increased CO2 recovery, food and beverage industries, urea production, water treatment, and firefighters’ production and chillers. There are also many new technologies for using CO2 in various stages of development and marketing. These technologies have the potential to create opportunities to provide emissions in power plants and other industrial sectors by replacing some raw materials for fossil fuels, increasing the efficiency and use of renewable energy, and generating revenue through the production of end-use products. This paper examines techniques for using carbon dioxide that convert carbon dioxide into commercial products through chemical and biochemical reactions with a focus on current technologies for broad supply or marketing. Carbon dioxide technologies are grouped according to technological conversion methods, such as electrochemical, photocatalysis and optical light, catalysis, biological processes (using microbes and enzymes), joint polymerization, and mineralization. In this paper, recent developments and the status of CO2 technologies have been examined, and the environmental impacts of CCUs are also discussed in terms of life cycle analysis.

In order to clarify the situation in energy consuming devices in hydrocarbon plants (Olefin, butadiene and butene1), by using thermodynamic laws (1st and 2nd) and apply energy and exergy balances to all equipment's, loss rate and the amount of renewable energy for each group of equipment such as pumps, towers, heat exchangers and … were calculated and with the process changes, it was tried to utilize current energy as much as possible. Since the irreversibility’s cannot be omitted completely in processes, the rate of energy loss was reduced as much as possible by change in operation condition. Finally, the factors that influence the creation of irreversible processes have been discussed.

 In studies performed on 2- chloroacetalidehyde by abinitio beginning with the LC-WPBE, B3LYP and m06-2x functionals and 6-311++G( d, p) basis set . Also by checking the total energy , HOMO-LUMO gaps and dipole moment, it was found that the keto form is more stable than the enol form .Theoretical calculations With LC-WPBE/6-311G(d,p) shows the more stability of I- conformer in compared to other conformers . NBO analysis was practical for illustrating the negative hyperconjugative effect on the conformers . In the basis of NBO analysis, the LP(2)O and LP(2)O Interactions were responsible of the negative hyperconjugation in the examined compounds. The deletion of all thw donor – acceptor electronic interaction from the fock matrices and off –diagonal elements , values of these interaction were reported.

This study relates to an improved method for the preparation of azodicarbonamide, which is useful as a chemical blowing agent. Azodicarbonamide is prepared from the oxidation reaction of hydrazodicarbonamide (biurea) with hydrogen peroxide as a green oxidant in the presence of a potassium bromine as a catalyst. Biurea also is prepared by reaction of urea and hydrazine. The prepared products have been characterized by FTIR and TGA/DSC. By Series of comparative experiments, Factors of influencing the yield of azodicarbonamide are studied, such as the amount of oxidant and temperature of reaction solution. Under the optimum process conditions, the yield of azodicarbonamide can reach over 95%, with hydrogen peroxide oxidation process.

Two Schiff base donor ligands (aldimines) were used to prepare four transition metal complexes of Cu(II) and Zn(II) by treating 2-nitroaniline and salicylaldehyde to form the Schiff base ligand 2[(2-nitrophenylimino) methyl] phenol (L1) and 4-nitroaniline and salicylaldehyde to form 2-[(4-nitrophenylimino)]methyl]phenol (the L2 counterpart). The processes were accomplished using a microwave oven assisted reaction regulated at 1000C for 30 min. Characterization was carried out on the basis of physical properties elemental analysis, FTIR, 1H-NMR and 13C-NMR spectroscopy, electronic spectral and mole ratio method. Results from the FTIR spectra of the ligands and corresponding complexes showed that the ligands L1 and L2 displayed a bidentate character with coordination via the nitrogen and oxygen atoms. The 1H-NMR and 13C-NMR data of L1 and L2 confirmed the formation of the complexes of Cu(II) and Zn(II) showing that the probable coordination geometries of Cu(II) and Zn(II) are octahedral. The complexes were found to be non electrolytes in alcohol. The nematicidal activity studies implied that the ligands and their metal complexes showed promising nematicidal ability with the metal complexes showing comparatively higher inhibiting ability than the free ligands against the root knot nematode Meloidogyne arenaria present in the crop Arachis Hypogea.