@article { author = {Singh, Keshav K}, title = {Role of Nanotechnology and Nanomaterials for Water Treatment and Environmental Remediation}, journal = {International Journal of New Chemistry}, volume = {9}, number = {3}, pages = {165-190}, year = {2022}, publisher = {Iranian Chemical Science and Technologies Association}, issn = {2645-7237}, eissn = {2383-188X}, doi = {10.22034/ijnc.2022.3.6}, abstract = {Nanotechnology has an impact on many scientific and technical fields, including environmental safety. Environmental applications of nanotechnology include water and wastewater treatment, in which different nanomaterials utilize adsorption and separation processes, as well as a variety of other approaches, to remove pollutants, pathogens, and other hazardous elements. Diverse forms, various composites, and active component functionalization are only a few of the ways nanomaterials are formed. To ensure a plentiful supply of water, nanostructures have presented a practical alternative. Due to its very specific area of surface, microinterface properties, and remediation potential, nanomaterials have emerged as a hot topic in environmental research. The review paper covers diverse treatment methods for wastewater, including adsorption, catalysis, spacing, and disinfection, and a range of nanomaterials such as NPs for graphene, TiO2 nanoparticles (NPs), (nZVI), NPs for nanoscale Fe3O4, ZnO NPs, nanoparticles in silver (Ag-NPs), Carbon nanotubes (CNTs), and several additional NPs as well as various nanocomposite materials, such as inorganic and organic supports, magnetic nanocomposite, and nanocomposite membranes, etc. Most crucially, the possible application of nanomaterials in water and wastewater treatment is also considered in the future.}, keywords = {Nanotechnology,Water treatment,Nanocomposite,Environmental Nanomaterials,Carbon nanotubes}, url = {https://www.ijnc.ir/article_248501.html}, eprint = {https://www.ijnc.ir/article_248501_b57aff8b5603b30571448dc3a38aea8f.pdf} } @article { author = {ugochukwu, Ahanonu and Shallangwa, Adamu and Uzairu, Adamu}, title = {Molecular Docking of Pyrazole Inhibitors Against Integrase Receptor: A Computational Quantum Approach}, journal = {International Journal of New Chemistry}, volume = {9}, number = {3}, pages = {191-200}, year = {2022}, publisher = {Iranian Chemical Science and Technologies Association}, issn = {2645-7237}, eissn = {2383-188X}, doi = {10.22034/ijnc.2022.3.7}, abstract = {HIV/AIDS is an infection caused by a virus. Some drugs are known to be very potent in slowing the virus replication with good binding affinity with the receptor. However, there are some other drugs which have a significant and better docking approach with stronger binding affinity.Pyrazole derivatives are remarkably good and have been reported as better anti-HIV agents because they exhibit stronger binding affinity. In this study, a computational quantum approach was used to understand the binding interaction between the pyrazole derivatives and the receptor (Integrase). The docking was carried out on ten pyrazole derivatives and their large negative binding affinity values in kcal/mol confirmed that they truly bind the pocket atoms of the receptor. The ligands have good negative binding affinity which showed that they are potent inhibitors for the receptor. The result obtained from the docking of the ligands with the receptor could be useful to design new potent anti-HIV-1 derivatives.}, keywords = {Pyrazole Derivatives,Integrase,Binding affinity,receptor,Ligand}, url = {https://www.ijnc.ir/article_246820.html}, eprint = {https://www.ijnc.ir/article_246820_c38bb9ab591ea6e3e1df0bc22ce070ad.pdf} } @article { author = {Ibrahim, Muhammad and Abdul, Sani and Ibrahim, Muhammad}, title = {Analysis of Corrosion Inhibiton Potential of Acacia nilotica Fruits on Aluminium Corrosion in Acidic and Alkaline Media}, journal = {International Journal of New Chemistry}, volume = {9}, number = {3}, pages = {201-213}, year = {2022}, publisher = {Iranian Chemical Science and Technologies Association}, issn = {2645-7237}, eissn = {2383-188X}, doi = {10.22034/ijnc.2022.3.8}, abstract = {In this study, the inhibitive action of Acacia nilotica fruits powder towards the corrosion behavior of aluminium in 1.0M HCl and 1.0M NaOH solutions has been studied without carrying out any solvent extraction of the fruits powder using weight loss method. Acacia nilotica showed corrosion inhibition efficiency of 98.83 and 71.64% in HCl and NaOH respectively in the presence of 0.5% w/v inhibitor concentration at 318K. The activation energy increases from that of the blanks (23.84 and 49.25 kJmol-1) to the inhibited (55.92 and 65.92 kJ mol-1) in HCl and NaOH respectively. The adsorption process was spontaneous as indicated by the large negative values of and . The values of enthalpy were positive indicating endothermic process of adsorption. The adsorption of Acacia nilotica on aluminium was best fitted to Langmuir adsorption model in both media. The result of FTIR Spectra also indicated physisorption mechanism as proposed by the thermodynamic data.}, keywords = {Activation Energy,Enthalpy,thermodynamic}, url = {https://www.ijnc.ir/article_247389.html}, eprint = {https://www.ijnc.ir/article_247389_a6bc9436d8ab0766f3ee48753be81726.pdf} } @article { author = {boumoud, Taoues and Tebabel, Imène and Kadi, Ibtissem and Boumoud, Boudjemaa}, title = {Green and efficient Synthesis of Some Thiazolopyrimidine Derivatives under Catalyst-Free Conditions}, journal = {International Journal of New Chemistry}, volume = {9}, number = {3}, pages = {214-224}, year = {2022}, publisher = {Iranian Chemical Science and Technologies Association}, issn = {2645-7237}, eissn = {2383-188X}, doi = {10.22034/ijnc.2022.3.9}, abstract = {Heterocycles containing sulphur and nitrogen atoms in the core structure, possess a number of pharmacologically and biologically active compounds. So, in the past decade, various fused pyrimidines including purines, pteridines, quinazolines, pyridopyrimidines, triazolopyrimidines, pyrazolopyrimidines, pyrimidoazepines, furopyrimidines and pyrrolopyrimidines were studied and were found to possess remarkable pharmacological properties. Thus, our work was focused on the development of novel, green and efficient method for the synthesis of a series of 6-acetyl-7-methyl-5-aryl-2H-thiazolo[3,2-a]pyrimidin-3(5H)-one derivatives using 5-acetyl-6-methyl-4-aryl-3,4-dihydropyrimidin-2(1H)-thione derivatives as starting materials. The precursor pyrimidine derivatives were prepared by Biginelli reaction of pentan-2,4-dione, thiourea and an appropriate aromatic aldehyde in the presence of an ionic liquid, and then reacted with ethyl bromoacetate in a concise sequence involving condensation/cyclization reaction to give the corresponding thiazolopyrimidines in good yields under catalyst-free conditions in the presence of acetone as solvent. The structure of the whole synthesized compounds was determined by NMR and IR spectroscopy, and a plausible mechanism of their formation was proposed.}, keywords = {Dihydropyrimidinthiones,Biginelli reaction,Ionic liquid,thiazolopyrimidines,catalyst-free}, url = {https://www.ijnc.ir/article_247390.html}, eprint = {https://www.ijnc.ir/article_247390_e5c3c756d8baf864aff958bb76273027.pdf} } @article { author = {Rabie, Amgad}, title = {New Potential Inhibitors of Coronaviral Main Protease (CoV-Mpro): Strychnine Bush, Pineapple, and Ginger could be Natural Enemies of COVID-19}, journal = {International Journal of New Chemistry}, volume = {9}, number = {3}, pages = {225-237}, year = {2022}, publisher = {Iranian Chemical Science and Technologies Association}, issn = {2645-7237}, eissn = {2383-188X}, doi = {10.22034/ijnc.2022.3.10}, abstract = {This current research aims to find candidate anti-COVID-19 compounds from the natural herbal sources, mainly, strychnine bush (Strychnos lucida), pineapple (Ananas comosus), and ginger (Zingiber officinale) to act as efficient blockers of the coronaviral-2 main protease (Mpro) receptor based on computational molecular docking modeling evaluation. The docking protocol was carried out using mainly N3 comparison utilizing four known potential anti-COVID-19 drugs, favipiravir/GS-441524/remdesivir/hydroxychloroquine, as positive controls. The docking results frankly show that the compounds ananas 26/zingiberenol/zingiberol have higher inhibitory binding affinities compared to the native ligand N3 and the other tested ingredients/references. Ananas 26 compound has the strongest hydrogen bonds with the coronaviral-2 Mpro active amino acid residues. Potential candidate compounds as COVID-19 Mpro inhibitors, ananas 26 from pineapple and zingiberenol as well as zingiberol from ginger, can further be subjected to potential inhibitor assays and in vitro/in vivo tests for evaluating and proving their biological activities against SARS-CoV-2 and COVID-19.}, keywords = {Anti-COVID-19 Drug,SARS-CoV-2/Coronavirus/Coronaviral-2,Main Protease (Mpro),Ananas 26,Zingiberenol/Zingiberol}, url = {https://www.ijnc.ir/article_247391.html}, eprint = {https://www.ijnc.ir/article_247391_ccb98b0c7e358490d93275594b7bbbfd.pdf} } @article { author = {Singh, Keshav and Singh, Akash}, title = {Graphene Heating Film Preparation and Performance Evaluation}, journal = {International Journal of New Chemistry}, volume = {9}, number = {3}, pages = {238-249}, year = {2022}, publisher = {Iranian Chemical Science and Technologies Association}, issn = {2645-7237}, eissn = {2383-188X}, doi = {10.22034/ijnc.2022.3.16}, abstract = {To address the issues of poor graphene dispersion, uneven thermal conductivity, and the environmental effect of porous polyurethane (PU) solutions, natural nano cellulose is employed as a surfactant to dissolve the graphene slurry in order to build a composite heating film. By altering the volume of the graphene slurry, the screen-printing method performs in-situ coating on heat-reflective cloth (sportswear lining materials) and determines the heating impact and washing qualities of the clothing. The results reveal that natural nanocellulose has a good dispersion effect. After the addition of silver paste, graphene dispersions with varying concentrations exhibit good thermal and electrical conductivity. When the heating voltage is 8v and the graphene slurry concentration is 12.5 % (wwt), the surface temperature of the heating film can exceed 50°C while the power consumption is low, which not only maintains long-term power supply but also addresses the shortcomings of the traditional polyester heating film, such as uncomfortable wearing. Furthermore, even after washing and soaking it more than 50 times, it has an excellent heating function.}, keywords = {Graphene,Nano cellulose,Dispersion effect,Thermal conductivity}, url = {https://www.ijnc.ir/article_249379.html}, eprint = {https://www.ijnc.ir/article_249379_88a737aa5712983f985c5dcf80f1e425.pdf} }