Corrosion inhibition performance of two synthesized Schiff base ligands; (E)-2-((2-methoxybenzylidene)amino)phenol L1 and (E)-2-((4-methoxybenzylidene)amino)phenol L2 were carried out by weight loss measurement in 0.1 M hydrochloric acid (HCl) solution. Density Functional Theory (DFT) and Molecular dynamics (MD) simulation were applied to theoretically explain the inhibitors’ intrinsic properties and adsorption mechanism in the corrosion study. The result of the inhibition performances carried out at varying concentrations and temperatures were compared. The corrosion inhibition efficiencies of L1 and L2 at an optimal concentration of 10 × 10^–4 M were 75% and 76%. Langmuir isotherm model fits the data obtained from the experiment with a correlation coefficient (R²) value closer to unity. The adsorption mechanism of inhibitor on the surface of the Fe metal occurred via chemisorption inferred from the Gibbs free energy (ΔG_ads). Scanning electron microscopy showed a mild degradation on the surface of the mild steel immersed in the L1, and L2 inhibited acid solution, which could be due to surface coverage. The energy dispersive X-ray spectroscopy showed the metal surface’s elemental composition and the existence of the chlorine peak, which emanates from the HCl medium. DFT calculations revealed that the hybrid B3LYP functional performed better than the M06-2X meta-functional in estimating the energies of the synthesized Schiff bases for corrosion inhibition as seen in the lower ΔE values of 3.86 eV and 3.81 eV for L1 and L2. The MD simulation revealed that the orientation of inhibitors on the surface of the metal resulted in the coordination bond formation and that the interaction energy of L2 was −746.84 kJ/mol compared to −743.74 kJ/mol of L1. The DFT and MD results agreed with the observed trend of the experimental findings.

DNA interaction withcisandtrans-copper NO complexes favours thecisconfiguration due to low energies observed in thecisconfiguration.

The cement industry accounts for nearly 8% of global anthropogenic CO₂ emissions, driven largely by energy-intensive clinker production. Valorising industrial and agricultural waste as Supplementary Cementitious Materials (SCMs) presents a viable mitigation strategy, aligning decarbonisation goals with circular-economy principles. This review employs a two-stage screening process and the Evaluation based on Distance from Average Solution (EDAS) method to assess 27 SCMs across technical, environmental, economic, and regulatory dimensions. The results establish a clear hierarchy: fly ash and metakaolin ranked highest, followed by ground granulated blast furnace slag, silica fume, and calcined clay. Life cycle assessment confirms these top-performing SCMs can reduce the global warming potential of cement production by 50–90% compared to ordinary Portland cement. While established SCMs like fly ash offer a balanced profile in durability, CO₂ reduction, and cost, the framework also identifies regionally abundant materials such as steel slag, bagasse ash, red mud, and Rice Husk Ash (RHA), which possess significant potential but require further processing and standardisation. The findings underscore that material consistency, robust regional supply chains, and performance-based standards are critical for large-scale SCM adoption, providing a replicable framework to guide industry and policy stakeholders in accelerating the transition to low-carbon, waste-valorised cement technologies.

Chloroquine | Aluminium | Freundlich | Density Functional Theory

Amino-Li-resin is a new and unique polyacrylamide resin presented in the form of fibers and is found to be well suited for solid-phase peptide chemistry. Although amino-Li-resin swells much better in polar solvents, it is also compatible with some non-polar solvents. It comes with a high loading of functional amino groups, thus maximizing its productivity in terms of the amount of peptide per gram of resin. In addition to its mechanical stability, this resin shows excellent stability in basic and acidic reagents; thus, allowing its broad applicability for the synthesis of a wide range of biomolecules. Finally, the appropriateness of amino-Li-resin for solid-phase peptide synthesis (SPPS) has been demonstrated for the synthesis of several model peptides, including difficult sequences and those containing hindered amino acids, all of which afforded excellent crude purity, as shown by high-performance liquid chromatography (HPLC) analysis.