In this work, the synthesis of 6,6'-([2,2'-bi(1,3,4-oxadiazole)]-5,5'-diyl)bis(3-chloroaniline) (6a) and 5,5'-([2,2'-bi(1,3,4-oxadiazole)]-5,5'-diyl)bis(benzene-1,3-diamine) (6b) was carried out and characterized by spectral data from 1H NMR, ¹³C NMR, IR and mass spectrometry. The optical properties of these compounds were studied, in particular the evolution of reflectance, absorption and band gap energy, and a scanning electron microscopy (SEM) analysis was performed. A comparative in-silico study combining DFT-based reactivity analysis, ADMET prediction, and molecular docking were employed for compounds 6a and 6b. Both exhibited distinct reactivity profiles and strong binding affinities toward DNA Gyrase B (7C7N) and the DNA-ruthenium complex (4E7Y), highlighting their potential as antibacterial agents, as well their potential use in photovoltaic application and for near infrared light shielding basing on the optical results.

This study presents the synthesis and characterization of the novel compound 6,6'-(1,3,4-oxadiazole-2,5-diyl)bis(3-chloroaniline), using 1H NMR, 13C NMR, mass spectrometry and FTIR-ATR infrared spectroscopy. Density Functional Theory (DFT) calculations at the B3LYP/6-311G (d,p) level, were employed to optimize the molecular geometry and evaluate electronic properties. Frontier molecular orbital, molecular electrostatic potential, Parr function, and electron localization function analyses revealed an ambiphilic character, with electrophilic sites localized on the oxadiazole core and nucleophilic regions on the chloroaniline moieties. Molecular docking demonstrated high binding affinities toward Topoisomerase IV, Tubulin, and CDK2, surpassing standard ligands and indicating potential antibacterial and anticancer activities. ADME/Toxicity predictions suggested good pharmacokinetic behavior and low toxicity. Monte Carlo and molecular dynamics simulations confirmed strong and stable adsorption of the novel compound OBA on the Fe (110) surface, supporting its efficiency as a corrosion inhibitor.

This study presents the synthesis and characterization of the compound 5,5'-(methylenebis(1,3,4-oxadiazole-5,2-diyl))bis(benzene-1,3-diamine), by ¹H NMR, ¹³C NMR and FTIR-ATR infrared spectroscopy and mass spectrometry. A theoretical study was carried out by a comprehensive and hierarchical methodology in order to evaluate the inhibitory behavior of the molecule 5,5'-(methylenebis(1,3,4-oxadiazole-5,2-diyl))bis(benzene-1,3-diamine) with respect to the corrosion of a Fe(110) type metal surface. Thus, examination of non-covalent interactions by NCI analysis. In addition, the study of adsorption on the metal surface was carried out by the Monte Carlo method.

This study presents the synthesis and characterization of a novel 1,3,4-oxadiazole derivative compound, 2,5-bis(2-(trifluoromethyl)-1H-benzimidazol-5-yl)-1,3,4-oxadiazole, using ¹H NMR, ¹³C NMR, mass spectrometry and FTIR-ATR infrared spectroscopy. Reactivity, ADME/toxicity and docking to therapeutic targets were investigated revealed that 2,5-bis(2-(trifluoromethyl)-1H-benzimidazol-5-yl)-1,3,4-oxadiazole (BTBO) exhibits excellent intestinal absorption, limited solubility and CNS penetration, and restained clearance. It interacts with key cytochromes and transporters, suggesting possible drug–drug interactions. Toxicity evaluations indicated mutagenic potential and moderate oral toxicity, with no hepatotoxicity or skin sensitization. Molecular docking demonstrated strong binding affinities to targets in six therapeutic areas, often outshining reference ligands, supporting its auspicious pharmacokinetic and therapeutic potential.

Plant-mediated green synthesis of metallic nanoparticles (NPs) has become the most deserving alternative to chemical synthesis as this process is economical and energy-efficient, and environmentally benign. For the last twenty to thirty years, different plant sources are being utilized for the fabrication of green NPs, and few of them have used the extract of Phoenix Dactylifera L. as reducing, capping, or stabilizing agents. This review provides a detailed outline of the extraction method from various parts of dates and their synthesis with different metal salts using these extracts. The applied techniques of characterization and application of these nanoparticles have also been thoroughly discussed. The phytochemicals present in the extract were responsible for reducing the metals. Except for a few, all the investigations reported the spherical NPs but have variations in their size. These NPs have high prospects in applications such as antimicrobial, anticancer, antioxidant, and catalytic activities. This work may lead the path for additional advancement in this field, and researchers may take up the future work for the large scale production of NPs and their application using date extracts.

New series of mononuclear octahedral Ru(III) complexes of general formula [RuL^1-3Cl]Cl₂ (1-3) where L = dianion of Schiff bases namely: 2,2'-(((1E,1'E)-thiophene-2,5-diylbis(methaneylylidene))bis(azaneylylidene))diphenol (H₂L¹), 2,2'-(((1E,1'E)-thiophene-2,5-diylbis(methaneylylidene))bis(azaneylylidene))dibenzenethiol (H2L2) and 2,2'-(((1E,1'E)-thiophene-2,5-diylbis(methaneylyli-dene))bis(azaneylyli-dene))-dibenzoic acid (H₂L³), respectively are synthesized and characterized by different physico-chemical techniques. The results of interaction of complexes with CT-DNA supported that, the Ru (III) complexes bind to DNA via an intercalative mode. The interaction has also been investigated by gel electrophoresis. Interestingly, it was found that all Ru(III) complexes cleave super coiled (SC) pUC19 plasmid DNA efficiently in the absence of an external agent. Further, the antiproliferative activity of the complexes on Human Cervical Cancer Cells (HeLa) and Human Breast Cancer Cells (MCF-7) were evaluated by MTT assay, which revealed that, all the complexes showed more intense inhibition against HeLa and MCF-7 cell lines, particularly Ru(III) complex (3) attenuated the strongest proliferation, allowing its use as chemotherapeutic agent for cancer treatment.