Progress in Chemical and Biochemical Research
Volume:7 Issue: 4, Nov 2024

This study investigated how well a natural dye extract and silver nanoparticles made from Tectona grandis can prevent mild steel from corroding in acidic environments. These nanoparticles appeared dark brown and absorbed light most strongly at a wavelength of 420 nanometers. Analysis confirmed the presence of functional groups: O-H, C=O, C=C, and N-Hb within the nanoparticles. Examination with a scan electron microscope revealed the nanoparticles were mostly spherical or oval. The presence of silver was confirmed, and its crystalline structure was analyzed using XRD analysis. Further tests using nitrogen adsorption technique indicates nanoparticles were mesoporous. Both the dye and the nanoparticles inhibited corrosion of mild steel in acidic solution. Higher concentrations of the inhibitors resulted in greater protection against corrosion. However, this protection weakened at higher temperatures. The inhibitors' presence raised the activation energy needed for corrosion. The corrosion process is an endothermic process. In addition, the entropy change suggests a more ordered arrangement at the metal surface during inhibition. The study suggests that the nanoparticles formed from the extract. Nanoparticle outperformed the die extract alone in inhibiting corrosion The SEM/EDX study of the steel surface following its exposure to the inhibitors revealed very little damage.

To tackle medication resistance in rheumatoid arthritis, type 1 diabetes, and Grave's disease, 32 compounds were chosen as new inhibitors of autoimmune disorders and underwent 2D-QSAR, 3D-QSAR, docking, ADMET, and molecular dynamics (MD) simulation experiments. Genetic approximation-multiple linear regression (GA-MLR) was used in the 2D-QSAR investigation. The experimental activities and those obtained by model 1 were shown to have a respectable connection (r2 = 0.7616 and q2 = 0.6327). The structure-activity relationships (SAR) were statistically studied using the 3D-QSAR technique, which produced strong statistical significance for one high predictive model, comparative molecular field analysis (CoMFA: Q2=0.785; R2=0.936; rext2= 0.818). The steric and electrostatic fields control the bioactivity, according to a thorough examination of the contour maps of the prediction models. This information is very useful in understanding the qualities that must be presented to create new and powerful inhibitors of autoimmune disorders. Through these discoveries, 70 new inhibitors with improved receptor-targeting activity were designed. The last lead compounds were compound 32 and designed compound D40, which were found by virtual screening and subsequent molecular docking. Compounds 32 and D40 have the ability to target proteins such as arginine deiminase 4 (PAD4), major histocompatibility complex (MHC) class II HLA-DQ-ALPHA chain, and thyrotropin receptor (or TSH receptor) proteins, according to the results of the MD simulation for each protein-ligand complex. Our studies suggest that compound 32 and designed compound D40 be studied in vitro and in vivo against some of the selected autoimmune disorders. The MM/GBSA binding free energies are also measured for the selected drugs. For pattern recognition, structural similarity, and hotspots binding energy prediction.

This study investigates the adsorption of crystal violet (CV) dye from aqueous solutions using original and modified periwinkle-clay rooftile composites. The objective is to explore the efficacy of periwinkle-clay rooftile composite as a catalyst for treating simulated textile wastewater containing crystal violet dye. Percentage dye removal of crystal violet from the simulated textile wastewater was examined using both modified and unmodified catalysts. Results indicate that CV removal increased with contact time, adsorbent dose, temperature, and ionic strength, while decreasing with initial dye concentration above 80 mg/l. The pH range of 6-11 was found to be optimal for CV dye removal. Adsorption equilibrium for CV dye by periwinkle-clay rooftile (both modified and unmodified) was achieved within 105 minutes, with a removal efficacy of up to 98% for both types of catalyst. The pseudo-second-order kinetic model provided the best fit for describing sorption kinetics for both modified and unmodified catalysts. In addition, the Freundlich isotherm model was suitable for describing adsorption isotherms for the modified catalyst, while Temkin isotherm model was appropriate for the unmodified catalyst. This study offers valuable insights into the potential application of periwinkle-clay rooftile composites for wastewater treatment in the textile industry.

Barry Sharp Lester invented "click chemistry." He won the 2022 Nobel. Click Chemistry has many advantages. Click chemistry has shaped several fields of contemporary chemistry since its inception. Click chemistry has helped us understand and prepare complex molecules. This review examines click response importance. The Huisgen 1,3-dipolar cycloaddition technique produces 1,4-disubstituted 1,2,3-triazoles from azode and terminal alkyne. This discipline is also rapidly expanding in research and development. This paper provides a quick review of CC and its many uses. CuI frequently employs azide-alkyne cycloaddition since it is a powerful change agent. According to research and review studies, generation-wise click chemistry with the Cu(I) catalyst facilitates coupling processes. Click reaction types and groups can be formed from alkynes, cyclooctynes, and azides. This study covers click chemistry and its applications in drug discovery, click chemistry-assisted steroid substitution, the Metal-Free Click Reaction, drug production, and three-dimensional bio-printing. We also examined Click Chemistry's pros and cons and advantages.

Non-edible vegetable oils have garnered significant research attention in recent years due to their enhanced tri-bological characteristics as biolubricants. Jatropha Curcas oil, in particular, shows promising potential as a feedstock for lubricant production. In this study, Jatropha biolubricant was synthesized through a two-step transesterification process: first converting Jatropha seed oil to methyl ester and then further transesterifying the methyl ester with sodium methoxide in the presence of ethylene glycol. The synthesis achieved a yield of 83.21-90% of Jatropha biolubricant using sodium methoxide as the catalyst. To enhance its performance, the synthesized biolubricant was blended with copper oxide (CuO) and zinc oxide (ZnO) as metal additives. Viscosity tests revealed that the blended biolubricant at 1 wt% additive concentration exhibited optimal viscosity characteristics: 52.952 cSt at 40 ℃ and 8.767 cSt at 100 ℃, compared to 31.58 cSt and 6.547 cSt, respectively, for the biolubricant without additives. Furthermore, blended biolubricant exhibited improved thermal degradation resistance and enhanced oxidative stability across different additive concentrations. Key lubricating properties such as pour point (10 ℃), viscosity at 40 ℃ (52.951 cSt), viscosity at 100 ℃ (8.767 cSt), and viscosity index (165.54) were analysed and found comparable to SAE 40 petroleum lubricants and other plant-based biolubricants.

Bio-orthogonal chemistry has quickly acquired popularity in the biomedical field due to its outstanding biocompatibility and precision in changing biomolecules while avoiding interference with natural biological processes. This review specifically examines the fundamental concepts and practical usage of bio-orthogonal processes in nanoscale biomedical contexts, including in the fields of medication administration, cancer treatment, and optical imaging. We highlight recent breakthroughs, such as the utilization of click chemistry, tetrazine ligation, and strain-promoted azide-alkyne cycloaddition (SPAAC), which allow for extremely selective and efficient biomolecule alterations in living systems. In addition, we evaluate these methodologies compared to conventional bioconjugation techniques, examining their potential for future biomedical research and their advantages in therapeutic targeting. This review is to provide a comprehensive overview of bio-orthogonal chemistry, its current uses, and the hurdles that must be overcome to realize its full potential in clinical contexts.

This study assesses the corrosion inhibition effectiveness of Acridine and its derivatives Acridine -ACD, Acridine-2-Carboxylic Acid-ACA, Acridine-2-Carbaldehyde-A2C, and 2-Ethyl –Acridine -2EA on Al (110) surfaces using quantum chemical analysis. Computational chemistry techniques were employed to calculate the binding energies of these inhibitors, which were found to be -39.918 kcal/mol for ACD, -53.042 kcal/mol for ACA, -47.001 kcal/mol for A2C, and -46.319 kcal/mol for 2EA. Besides binding energies, various Fukui functions and energy parameters were analysed, including EHOMO (The Highest Occupied Molecular Orbital Energy), ELUMO (The Lowest Unoccupied Molecular Orbital Energy), ΔE (Energy Gap), ΔNAl (Charge Transfer to the Aluminum Surface), ω (Stability Index), and ΔE_b-d (Binding Energy Difference). Among the tested inhibitors, ACA demonstrated the highest binding energy across all parameters, indicating the strongest interaction with the aluminum surface. The Fukui function study revealed that atoms C1, C13, N6, and N7 exhibited higher Fukui values for both Fukui (+) and Fukui (-), suggesting these atoms play a crucial role in the interaction with the aluminum surface. ACA's optimal electronic and binding properties enable it to form a robust protective layer on Al (110), significantly enhancing corrosion resistance. In conclusion, ACA emerged as the most effective corrosion inhibitor among the Acridine derivatives studied, providing superior protection for Al (110) surfaces.