The efficacy of pure and aluminum (Al)-doped boron nitride nanocarriers (B₁₂N₁₂ and AlB₁₁N₁₂) in adsorbing Chlormethine (CM), an anti-cancer drug, was comparatively dissected by means of the density functional theory method. The CM∙∙∙B₁₂N₁₂ and ∙∙∙AlB₁₁N₁₂ complexes were studied within two configurations, A and B, in which the adsorption process occurred via N∙∙∙ and Cl∙∙∙B/Al interactions, respectively. The electrostatic potential affirmations confirmed the opulent ability of the studied nanocarriers to engage in delivering CM via two prominent electrophilic sites (B and Al). Furthermore, the adsorption process within the CM∙∙∙AlB₁₁N₁₂ complexes was noticed to be more favorable compared to that within the CM∙∙∙B₁₂N₁₂ analog and showed interaction and adsorption energy values up to –59.68 and −52.40 kcal/mol, respectively, for configuration A. Symmetry-adapted perturbation theory results indicated that electrostatic forces were dominant in the adsorption process. Notably, the adsorption of CM over B₁₂N₁₂ and AlB₁₁N₁₂ nanocarriers exhibited predominant changes in their electronic properties. An elemental alteration was also revealed for the softness and hardness of B₁₂N₁₂ and AlB₁₁N₁₂ nanocarriers before and following the CM adsorption. Spontaneity and exothermic nature were obviously observed for the studied complexes and confirmed by the negative values of thermodynamic parameters. In line with energetic manifestation, Gibbs free energy and enthalpy change were drastically increased by the Al doping process, with values raised to –37.15 and –50.14 kcal/mol, respectively, for configuration A of the CM∙∙∙AlB₁₁N₁₂ complex. Conspicuous enhancement was noticed for the adsorption process in the water phase more than that in the gas phase and confirmed by the negative values of the solvation energy up to −53.50 kcal/mol for configuration A of the CM∙∙∙AlB₁₁N₁₂ complex. The obtained outcomes would be the linchpin for the future utilization of boron nitride as a nanocarrier.

The circular economy, which attempts to decrease agricultural waste while also improving sustainable development through the production of sustainable products from waste and by-products, is currently one of the main objectives of environmental research. Taking this view, this study used a green approach to synthesize two forms of silver nanoparticles: coated silver nanoparticles with olive leaf extract (Ag-olive) and uncoated pure silver nanoparticles (Ag-pure), which were produced by the calcination of Ag-olive at 550 °C. The extract and the fabricated nanoparticles were characterized by a variety of physicochemical techniques, including high-performance liquid chromatography (HPLC), thermal gravimetric analysis (TGA), X-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). Adult ticks (Hyalomma dromedarii) (Acari: Ixodidae) were used in this study to evaluate the antiparasitic activity of synthesized nanoparticles and extract. Furthermore, the antifungal activity was evaluated against Aspergillus aculeatus strain N (MW958085), Fuserium oxysporum (MT550034), and Alternaria tenuissiuma (MT550036). In both antiparasitic and antifungal tests, the as-synthesized Ag-olive showed higher inhibition activity than Ag-pure and olive leaf extract. The findings of this research suggest that Ag-olive may be a powerful and eco-friendly antiparasitic and antifungal agent. Ag-pure was also evaluated as a photocatalyst under sunlight for the detoxification of Eri-chrome-black T (EBT), methylene blue (MB), methyl orange (MO), and rhodamine B (RhB).

An RP-HPLC method with a UV detector was developed for the simultaneous quantification of diclofenac diethylamine, methyl salicylate, and capsaicin in a pharmaceutical formulation and rabbit skin samples. The separation was achieved using a Thermo Scientific ACCLAIM^TM 120 C₁₈ column (Waltham, MA, USA, 4.6 mm × 150 mm, 5 µm). The optimized elution phase consisted of deionized water adjusted to pH = 3 using phosphoric acid mixed with acetonitrile in a 35:65% (v/v) ratio with isocratic elution. The flow rate was set at 0.7 mL/min, and the detection was performed at 205 nm and 25 °C. The method exhibits good linearity for capsaicin (0.05–70.0 µg/mL), methyl salicylate (0.05–100.0 µg/mL), and diclofenac diethylamine (0.05–100.0 µg/mL), with low LOD values (0.0249, 0.0271, and 0.0038 for capsaicin, methyl salicylate, and diclofenac diethylamine, respectively). The RSD% values were below 3.0%, indicating good precision. The overall greenness score of the method was 0.61, reflecting its environmentally friendly nature. The developed RP-HPLC method was successfully applied to analyze Omni Hot Gel^® pharmaceutical formulation and rabbit skin permeation samples.

The effects of Lewis basicity and acidity on σ-hole interactions were investigated using two sets of carbon-containing complexes. In Set I, the effect of Lewis basicity was studied by substituting the X₃/X atom(s) of the NC-C₆H₂-X₃ and NCX Lewis bases (LB) with F, Cl, Br, or I. In Set II, the W-C-F₃ and F-C-X₃ (where X and W = F, Cl, Br, and I) molecules were utilized as Lewis acid (LA) centers. Concerning the Lewis basicity effect, higher negative interaction energies (E_int) were observed for the F-C-F₃∙∙∙NC-C₆H₂-X₃ complexes compared with the F-C-F₃∙∙∙NCX analogs. Moreover, significant E_int was recorded for Set I complexes, along with decreasing the electron-withdrawing power of the X₃/X atom(s). Among Set I complexes, the highest negative E_int was ascribed to the F-C-F₃∙∙∙NC-C₆H₂-I₃ complex with a value of −1.23 kcal/mol. For Set II complexes, E_int values of F-C-X₃ bearing complexes were noted within the −1.05 to −2.08 kcal/mol scope, while they ranged from −0.82 to −1.20 kcal/mol for the W-C-F₃ analogs. However, V_s,max quantities exhibited higher values in the case of W-C-F₃ molecules compared with F-C-X₃; preferable negative E_int were ascribed to the F-C-X₃ bearing complexes. These findings were delineated as a consequence of the promoted contributions of the X₃ substituents. Dispersion forces (E_disp) were identified as the dominant forces for these interactions. The obtained results provide a foundation for fields such as crystal engineering and supramolecular chemistry studies that focus on understanding the characteristics of carbon-bearing complexes.

Massive amounts of concrete demolition waste are generated due to the demolition of old concrete buildings and the rapid expansion of urban infrastructure, posing environmental and resource recovery challenges. This study investigates the hydration behavior of cement pastes blended with concrete demolition waste (CDW) that has been thermally activated at temperatures ranging from 500 to 900 °C. Thermal activation alters the physicochemical nature of CDW, with progressive decomposition of hydrates and carbonates leading to the formation of reactive CaO and amorphous silica above 700 °C. FTIR and XRD analyses reveal that CDW activated at 500 °C acts as a mild pozzolan, delaying early hydration but enhancing C–S–H formation and matrix densification over time. Increasing activated CDW content enhances pozzolanic reactivity. At 700 °C, activation improves silica and alumina availability, promoting denser C–S–H networks, while activation at 900 °C increases particle fineness but yields less gel volume due to phase crystallinity. SEM observations confirm that low to moderate activated CDW replacement levels (10–30%), particularly at 500–700 °C, can refine pore structure and improve long-term matrix performance. Optimal mechanical and durability properties are achieved at 20–30% CDW substitution. These results confirm that thermal activation enhances the pozzolanic potential of CDW, enabling its use as a sustainable supplementary cementitious material in blended systems.

In this study, lime, volcanic ash, glass, and OPC were used to prepare belite, belite/OPC blended, and volcanic ash/OPC blended cements. The hydrothermal treatment of volcanic ash/lime mixes at 190 °C for 3.5 h followed by calcination at 600 °C for 3 h. The heat of hydration of cements was measured, and hydration characteristics were assessed by combined water, compressive strength, bulk density, and total porosity measurements. The microstructural changes with hydration progress were monitored by XRD, TGA, FTIR, and SEM techniques. Hydrated calcium silicate is formed by hydrothermal treatment and was transformed to belite by calcination. The heat of hydration of plain belite cements increases with increasing lime content, confirming its unsuitability for massive concrete applications. Whereas, belite/OPC blended cements exhibit a lower heat of hydration to be suitable for applications requiring moderate heat of hydration and low initial strength gain. The rate of hydration of belite cement improves both by increasing the content of lime to 25-30% as well as blending with OPC. Volcanic ash/OPC blended cement has an average compressive strength between plain belite cement and belite/OPC blended cement. This research provides valuable insights for practical application of prepared belite cement in the construction.