Sami Publishing CompanyAdvanced Journal of Chemistry, Section A2645-77685320220701The Influence of Waste Tire Powder on Mechanical and Acoustic Properties of Autoclaved Aerated Concrete19019614803710.22034/ajca.2022.333553.1306ENMajid Safajou-JahankhanemlouDepartment of Chemical Engineering, Faculty of Engineering, University of Mohaghegh Ardabili, P.O. Box 179, Ardabil, Iran0000-0003-1109-4084Fahimeh Hooriabad SaboorDepartment of Chemical Engineering, Faculty of Engineering, University of Mohaghegh Ardabili, P.O. Box 179, Ardabil, Iran0000-0001-7729-0673Journal Article20220310Waste tires left in the environment are now becoming a global problem. On the other hand, the use of minerals consumed in the construction industry, in addition to being expensive, may reduce the natural mineral reserves around us. Using waste tire powder to make Autoclaved Aerated Concrete (AAC) is cost-effective. The presence of rubber powder inside the AAC leads to the toughness of the concrete and increases the elongation at break, and gives the plastic behavior to the concrete. In this study, rubber powder of different sizes was used as a filler inside the autoclaved concrete<strong>.</strong> The presence of elastic rubber particles enhances the sound absorption of AAC. The results revealed that by changing the amount of aluminum added to the concrete mixture, the impact of rubber addition on the density of AAC could be controlled. Reducing the particle size of tire powder also increases the sound absorption of AAC.http://www.ajchem-a.com/article_148037_552b888ebc922af0e7269ab6758c2d6a.pdfSami Publishing CompanyAdvanced Journal of Chemistry, Section A2645-77685320220701In Silico Identification of Some Novel Ketoamides as Potential Pan-Genotypic HCV NS3/4A Protease Inhibitors with Drug-Likeness, Pharmacokinetic ADME Profiles and Synthetic Accessibility Predictions19720714835710.22034/ajca.2022.329332.1302ENStephen EjehDepartment of Chemistry, Faculty of Physical Science, Ahmadu Bello University, P.M.B. 1044, Zaria, Kaduna State, Nigeria0000-0002-3065-6575Adamu UzairuDepartment of Chemistry, Faculty of Physical Science, Ahmadu Bello University, P.M.B. 1044, Zaria, Kaduna State, NigeriaGideon AdamuShallangwaDepartment of Chemistry, Faculty of Physical Science, Ahmadu Bello University, P.M.B. 1044, Zaria, Kaduna State, NigeriaStephen EyijeAbechiDepartment of Chemistry, Faculty of Physical Science, Ahmadu Bello University, P.M.B. 1044, Zaria, Kaduna State, NigeriaMuhammad TukurIbrahimDepartment of Chemistry, Faculty of Physical Science, Ahmadu Bello University, P.M.B. 1044, Zaria, Kaduna State, NigeriaJournal Article20220212Hepatitis C virus (HCV) infection promotes death rates worldwide. As a result, there is a constant need to improve current HCV therapy and produce new drugs. The NS3/A4 enzyme plays a critical role in the HCV entire lifespan and proliferation. Consequently, inhibitors of the HCV NS3/A4 enzyme are a great spot to start exploring new drug candidates. In this study, the high throughput in silico screening of the Pubchem database was used to analyze a set of ketoamides as HCV NS3/A4 enzyme inhibitors to find a novel potential drug as a lead candidate. To Voxilaprevir as a reference medicine, our findings revealed that three HCV NS3/A4 protease inhibitors (Pubchem CID: 44158040, 44158107, and 11479303) were identified as the best drugs for blocking hepatitis C virus NS3/A4 protease. The QSAR was performed to study the relationships between the structural features of the targets and their binding affinity by developing statistical models. The reported compounds had a higher binding affinity for the target receptor than Voxilaprevir, the reference drug. This study could be important in understanding the physicochemical and binding affinity of HCV NS3/A4 inhibitors in order to find new and improved HCV antiviral drugs.http://www.ajchem-a.com/article_148357_faf1df9a23378cfafe99d02a85ada380.pdfSami Publishing CompanyAdvanced Journal of Chemistry, Section A2645-77685320220701Ternary NR/BR/SBR Rubber Blend in The Presence of Nano Additives20821414804210.22034/ajca.2022.333331.1304ENFahimeh Hooriabad SaboorDepartment of Chemical Engineering, Faculty of Engineering, University of Mohaghegh Ardabili, P.O. Box 179, Ardabil, Iran0000-0001-7729-0673Majid Safajou-JahankhanemlouDepartment of Chemical Engineering, Faculty of Engineering, University of Mohaghegh Ardabili, P.O. Box 179, Ardabil, Iran0000-0003-1109-4084Journal Article20220309A ternary nanocomposite containing natural rubber, butadiene rubber, and styrene-butadiene rubber (NR/BR/SBR blend) was prepared in 25/25/50 (phr), on which the effect of adding carbon black, nano clay <strong>)</strong>C15A), and nano-silica was examined. Rheometric, tensile, and hardness measurement tests were performed on the prepared samples. The nano silica-containing sample showed an inhibitory effect in curing, while the modified nano clay-containing sample showed an accelerating effect on the curing process. The results revealed that the presence of nano-silica caused higher elongation at break. TEM analysis was performed from cross-linked samples to ensure the exfoliation of nano additives in the matrix. The results confirmed the suitable distribution and dispersion of the nanoparticles in the composite samples.http://www.ajchem-a.com/article_148042_e28c85a2334462c84e167c43f0089c68.pdfSami Publishing CompanyAdvanced Journal of Chemistry, Section A2645-77685320220701Phytosynthesis, Characterization and Antimicrobial Studies of Silver Nanoparticles Using Aqueous Extracts of Olax Subscorpioidea21522514918210.22034/ajca.2022.335594.1307ENOchui IsaacAshindortiangDepartment of Chemistry, Faculty of Science, Cross River University of Technology, Calabar, NigeriaChinyere AyiAnyamaInorganic Materials Research Laboratory, Department of Pure and Applied Chemistry, Faculty of Physical Sciences, University of Calabar, P.M.B. 1115, Calabar, NigeriaAyi AnyamaAyiInorganic Materials Research Laboratory, Department of Pure and Applied Chemistry, Faculty of Physical Sciences, University of Calabar, P.M.B. 1115, Calabar, Nigeria0000-0002-4908-9929Journal Article20220330In this study, aqueous extracts of the leaf and root of <em>Olax subscorpioidea</em> were used as solvent, reducing and stabilizing agents in synthesizing silver nanoparticles (AgNPs). The change in color from colorless to dark brown indicated the AgNPs formation. The UV-Vis spectra showed active absorption at 460 nm for the root extract mediated AgNPs attributed to the surface plasmon resonance of the AgNPs. This absorbance is quite intense compared to that of the leaf, which is slightly shifted to a higher wavelength of 465 nm. The FTIR spectra showed absorption bands attributed to O-H and N-H stretching vibrations of the phenolic/amide groups. In addition, the bands due to symmetric stretching vibrations of C-H and carbonyl (C=O) groups are also observed. The bioactive molecules present in the plant extracts do stabilized not only the metal nanoparticles but also play the role of modifying the surface of the particles owing to their different functionalities. The textural properties studied using Brunauer-Emmett-Teller (BET) method gave a specific surface area of 22.84 and 39.8 m<sup>2</sup>/g, respectively for root and leaf mediated AgNPs. Scanning electron microscopy (SEM) revealed monodisperse microspheres AgNPs, while the transmission electron microscopy (TEM) showed particles in the nanosize regime. The results of the antimicrobial activities showed the <em>Olax subscorpioidea</em> mediated-AgNPs to be effective in inhibiting the growth of bacterial strains more than the antibiotic drugs under investigation<strong>.</strong>http://www.ajchem-a.com/article_149182_481b35d6e1c61cb6c2fc057fd133f2b5.pdfSami Publishing CompanyAdvanced Journal of Chemistry, Section A2645-77685320220701Inhibitive Property of Catechin and Chlorogenic Acid against Human Pancreatic Lipase: Molecular Docking and Molecular Dynamics Simulation Investigations22624015060010.22034/ajca.2022.338380.1311ENSikiru AkinyeyeAhmedDepartment of Chemistry and Industrial Chemistry, Kwara State University, Malete, Ilorin, Nigeria0000-0002-6402-033XShina SalauDepartment of Chemistry and Industrial Chemistry, Kwara State University, Malete, Ilorin, Nigeria0000-0002-3067-0764Alamgir KhanH.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, PakistanMaria SaeedDr. Panjwani Center for Molecular Medicine and Drug Research, International Centre for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan0000-0001-6223-6375Zaheer Ul-HaqDr. Panjwani Center for Molecular Medicine and Drug Research, International Centre for Chemical and Biological Sciences, University of Karachi, Karachi 75270, PakistanH.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, PakistanJournal Article20220419Obesity, a lipid metabolic disorder characterized by excess fat deposition in the adipose tissue, is among the leading top global health challenges. The only Food and Drug Agency (FDA) approved drug (Orlistat®) for its treatment has shown some adverse effects. To find new compounds that may be more effective or with less adverse effects compared to Orlistat<sup>®</sup>. Catechin and chlorogenic acid were computationally studied using molecular docking and validated with molecular dynamics simulation techniques. The ADMET and drug-likeliness evaluation of the two compounds was carried out <em>in silico</em>. The binding affinities, structural stability, and flexibility vis-a-vis root-mean-square deviation (RMSD) and root-mean-square fluctuations (RMSF) plots, hydrogen bonding, and surface area analysis of the two compounds were compared to the Orlistat<sup>®</sup>. It was found that the selected two compounds passed Lipinski’s rule of 5 and other parameters expected of a drug. In addition, both catechin and chlorogenic acid exhibited good docking scores, better fit and molecular interactions, good structural stability, and flexibility compared to Orlistat<sup>®</sup>. http://www.ajchem-a.com/article_150600_257836c1a5193edf2f5ee4f62811b3de.pdfSami Publishing CompanyAdvanced Journal of Chemistry, Section A2645-77685320220701Isolation, Characterization and In Silico Molecular Docking Studies of Two Terpenoids from Strychnos innocua (Delile) Root Bark for Antibacterial Properties24125215280010.22034/ajca.2022.344451.1315ENAhmed JibrinUttuDepartment of Chemistry, Federal University Gashua, Yobe State, Nigeria0000-0002-4089-5529Muhammad SaniSallauDepartment of Chemistry, Ahmadu Bello University, Zaria, NigeriaHamisu IbrahimDepartment of Chemistry, Ahmadu Bello University, Zaria, NigeriaOgunkemi Risikat AgbekeIyunDepartment of Chemistry, Ahmadu Bello University, Zaria, NigeriaJournal Article20220527Terpenoids are definite secondary metabolites with active therapeutic components that contribute to plants’ medicinal potential. Strychnos innocua is a Loganiaceae family medicinal plant found in various African countries. This study reports the isolation, characterization, and molecular docking analyses of Linalool (1) and Nerolidol (2) from ethyl acetate root bark extract of S. innocua. Their structures were validated using mass spectrometry, nuclear magnetic resonance (1D and 2D NMR), and compared with literature data. This is a novel report of terpenoids isolated from S. innocua root bark. An in silico docking examination revealed the binding energies of Linalool with the binding sites of Staphylococcus aureus pyruvate carboxylase (PDB: 3HO8) and Pseudomonas aeruginosa virulence factor regulator (PDB: 2OZ6) were -4.7 and –5.6 kcal/mol, respectively. Furthermore, the binding energies of Nerolidol with the binding sites of S. aureus and P. aeruginosa were -5.8 and -6.9 kcal/mol, respectively. Compared to ciprofloxacin (standard drug), which showed binding energies of -6.6 and -8.7 kcal/mol, respectively. This study concluded that Linalool and Nerolidol are abundant in the root bark of S. innocua. At the same time, docking results revealed that the compounds had moderate interactions with S. aureus and P. aeruginosa, exhibiting antibacterial effects.http://www.ajchem-a.com/article_152800_3792412430a21e8455436760f0db814e.pdfSami Publishing CompanyAdvanced Journal of Chemistry, Section A2645-77685320220701Amphetamine, Methamphetamine, Morphine @ AuNPs Kit Based on PARAFAC25326215343310.22034/ajca.2022.345350.1318ENSakineh AlizadehDepartment of Analytical chemistry, Faculty of Chemistry, Bu-Ali Sina University, Hamadan, Iran0000-0003-4535-0090Zahra NazariDepartment of Chemistry, Malayer University, Malayer, Hamadan, Iran0000-0002-9315-4898Journal Article20220604The SPR of AuNPs as a new analytical method is used to detect drugs and species through the aggregation of Au-nanoparticles. In this study, we reduced gold ion using citrate and then the surface of nano particles was modified by L-cysteine. The multivariable calibration method of SPR provide a highly precise, somehow can make an error less than 6%. As compared a highly selective and sensitive ternary determination of Amphetamine (AMP), Methamphetamine (M-AMP) and Morphine (MOR) based on the proposed method is not needed to a higher amounts of the reagents. As rose the concentration of the addictive, the color of AuNPs altered from a wine red to blue which was easily noticeable by naked eyes. A multivariable calibration model along with three dimensional methods like PARAFAC, within the analysis of SPR adsorption could provide a high functionality as they fitted the experimental data as well. A chemical based kite and chemo metrics provide an excellent kite, which in turn is unique as experimentally confirmed. PARAFAC is a multi-way method rooted in psychometrics. Notably, chemometrics and the related areas due to various reasons such as high computational power, consciousness of the method and its potentials, the improved complication of data, have received much more considerations.http://www.ajchem-a.com/article_153433_d79387aee08c5631f74bae01db226343.pdf