A novel series of 1,2,3-triazoles bearing a phthalimide moiety (5a-g) was designed and synthesized as promising antibacterial agents. The synthesis involved reacting N-substituted phthalimide with substituted azidobenzene via click chemistry using dimethyl sulfoxide as a solvent. The structures of the synthesized compounds were confirmed using FT-IR, 1H NMR, 13C NMR, and UV-visible spectroscopy. Compound 5c showed exceptional inhibition towards two types of bacterial strains, S. aureus and E. coli with zones of inhibition of (34 and 23mm) respectively compared to the ceftriaxone (22 and 19mm) respectively. Molecular docking studies identified the type of interactions between our derivatives and two types of bacterial residues, leading to the strong inhibitory activity. The validity of these interactions was further achieved by using PyRx and Discovery studio, which confirmed that 5c and 5d, display considerable binding affinity, exhibiting lowest binding energies (-9.4 and - 9.5, kcal/mol) in comparison with ceftriaxone (-8.8kcal/mol) with staphylococcus aureus (PDB ID:7O4b), and compounds 5d, 5e, and 5f display considerable binding affinity, exhibiting the lowest binding energies (-8.1, -8.6 and - 8.7, kcal/mol) in comparison with ceftriaxone (-7.4kcal/mol) with Escherichia coli (PDB ID:7V9X). The consistency between in vitro and in silico results validated the reliable antibacterial probability of these compounds. Computational studies, including FMO analysis, the HOMO-LUMO energy gaps, were utilized to evaluate reactivity, stability, and inhibitory profiles of derivatives. In summary, the study provides a strong indication that these designed 1,2,3-triazole-bearing phthalimide moieties exert remarkable antibacterial activity, in silico ADMET studies showed favorable pharmacokinetic and drug-likeness properties, supporting the potential of the synthesized compounds as promising drug candidates. S. aureus and E. coli, justifying additional in vitro studies.

A series of Na₂CaP₂O₇: xDy3+ (x = 0.01-0.06) (abbreviated as NCPO) phosphors were synthesized using the solid-state reaction method in the present research work. X-ray diffraction (XRD) was used to confirm the phase purity and crystallinity of the synthesized phosphors. Morphological and elemental analyses were carried out using field emission scanning electron microscopy (FESEM) and energy-dispersive spectroscopy (EDS), respectively. Fourier transform infrared (FT-IR) spectroscopy assessed the functional groups, while diffuse reflectance spectroscopy (DRS) was employed to estimate the optical band gap. Photoluminescence (PL) spectroscopy was performed at an excitation wavelength of 351nm to investigate the luminescence properties of the prepared phosphors. Two emission bands were subsequently observed at 485nm and 575nm, corresponding to 4F9/2 → 6H15/2 and 4F9/2 → 6H13/2 transitions, respectively. The critical distance (Rc) between Dy³⁺ ions in this host was calculated to be 17 Å, indicating that both nearest-neighbor ion interactions and dipole-dipole interactions were involved. The PL decay lifetime and internal quantum efficiency (IQE) of the synthesized phosphor are determined. Photometric studies reveal that the CIE coordinates fall very close to the white light region, and the CCT value is found to be greater than 5000K, indicating that the prepared NCPO: Dy³⁺ phosphor is a promising candidate for cool WLEDs for outdoor lighting applications.