The chemical reaction of 7-acetyl-6-hydroxy-3-mercapto-1,6-dimethyl-8-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile withN-(naphthalene-1-yl)-2-chloroacetamide in ethanol in the presence ofanhydrous sodium acetate results in the synthesis of a5,6,7,8-tetrahydroisoquinoline derivative with name7-Acetyl-4-cyano-1,6-dimethyl-6-hydroxy-8-phenyl-3-[N-(naphthalen-1-yl)carbamoylmethylthio]-5,6,7,8-tetrahydroisoquinoline (ACCT). Thesynthesized compound is characterized by FT-IR, 1 H, and 13 C NMRspectroscopy. Furthermore, the crystal structure is verified by single crystalX-ray diffraction (XRD), which shows that the molecular configuration ofACCT is stabilized by N─H … N bonding. Infinite C(11) molecular chains areformed by O─H … O bonding that runs along the b-axis, and consecutivechains are further interlinked by C─H … O bonding. Hirshfeld surfaceanalysis reveals the role of intermolecular interaction in crystal packing, whereH … H and C—H … O interactions have notable percentage contributions.Dispersioninteractions provides the dominant stabilization forsupramolecular assembly, followed in significance by electrostaticinteractions. Electronic structure calculations and aromaticity analysis revealthe reactivity of the synthesized compound at the M062x/def2tzvp method.With the help of DFT simulations, the crucial role of van der Waals forces andcharge transfer in modifying optical and non-linear optical (NLO) propertieshas been underscored. Ab initio molecular dynamics study reveals thethermodynamic and kinetic behavior at room temperature.

Enaminones have garnered significant attention because of their unique properties and their importance in synthetic chemistry as highly versatile building blocks. In this study, a novel series of heterocyclic compounds based on pyridine and pyrimidine scaffolds was synthesized through the reactions of enaminones 2 with nitriles and various ammonia derivatives. The structures of the newly synthesized compounds were confirmed using multiple spectroscopic techniques, including IR, ¹H-NMR, ¹³C-NMR, and MS, as well as elemental analysis. Evaluation of the antimicrobial activity of these heterocycles demonstrated notable potency, particularly among the pyrimidine analogues.

The Abu Tartur Plateau in the Western Desert of Egypt hosts the largest phosphate mining operation in the Middle East. Mining activities in this area generate several million tons annually of overburden waste materials, including carbonate, black shale, siltstone, glauconite, and sandstone. In the present study, phosphatic dolomite (PD) and black shale were collected from these mining wastes. Phosphatic dolomite, along with sodalite-based phosphatic dolomite (SBPD) synthesized from calcined phosphatic dolomite (CPD) and black shale, were evaluated as low-cost adsorbents for the removal of heavy metals (Pb²⁺, Cu²⁺, and Cd²⁺) from synthetic wastewater. Heavy metal contamination, particularly by Cd, Pb, and Cu, represents a major global environmental challenge. Among the available remediation techniques, adsorption is widely considered one of the most effective approaches due to its environmental sustainability, economic feasibility, and operational simplicity. The materials (PD, CPD, and SBPD) were characterized by using X-ray fluorescence (XRF), X-ray diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), Scanning Electron Microscopy (SEM) and BET surface
area. Key adsorption parameters—including adsorbent dosage, pH, initial metal concentration,
and contact time—were systematically investigated for Pb²⁺, Cu²⁺, and Cd²⁺ removal. The optimal
adsorption performance for SBPD was achieved using a dosage of 0.2 g for Pb²⁺ and Cd²⁺, whereas PD showed optimal removal efficiencies at 0.3 g for Pb²⁺ and 0.6 g for Cu²⁺. Both adsorbents exhibited a preferential removal order of Pb²⁺ > Cu²⁺ > Cd²⁺. Kinetic and isotherm models were applied to interpret the adsorption mechanisms. The results of the present study confirm that sodalite based phosphatic dolomite (SBPD) exhibited higher metal removal efficiency than unmodified phosphatic dolomite (PD).