Yazar "Slimani, I." seçeneğine göre listele

Listeleniyor 1 - 2 / 2
  • Küçük Resim Yok
    Öğe
    N-Heterocyclic carbene-palladium-PEPPSI complexes and their catalytic activity in the direct C-H bond activation of heteroarene derivatives with aryl bromides: synthesis, and antimicrobial and antioxidant activities
    (Royal Soc Chemistry, 2021) Hamdi, N.; Slimani, I.; Mansour, L.; Alresheedi, Faisal; Gurbuz, N.; Ozdemir, I.
    In this study, a series of unsymmetrical 1,3-disubstituted benzimidazolium chlorides 2a-g with two nitrogen atoms substituted by different alkyl groups were synthesized in high yields as N-heterocyclic carbene (NHC) precursors. These benzimidazolium salts were then converted into the corresponding Pd-NHC complexes of the PEPPSI family (PEPPSI = pyridine-enhanced precatalyst preparation, stabilization, and initiation) 3a-g. The structures of all compounds were characterized by H-1 nuclear magnetic resonance (NMR) spectroscopy, C-13 NMR spectroscopy, infrared spectroscopy, and elemental analysis, which support the proposed structures. The structure of the 3c complex was determined by X-ray crystallography. More detailed structural characterization of the 3c complex was performed through single-crystal X-ray diffraction, which supports the proposed structures. The Pd-NHC-PEPPSI complexes were used as catalysts in the direct C-5-arylation of 2-acetyl furan, 2-acetylthiophene, and 2n-propylthiazole with different aryl bromides. These complexes exhibited moderate-to-high catalytic activities and selectively at the C-5 position. Furthermore, the Pd-NHC-PEPPSI complexes were evaluated for their potential antibacterial properties against a panel of bacterial strains, such as Micrococcus luteus, Listeria monocytogenes, Salmonella typhimurium, Staphylococcus aureus, Candida albicans, and Pseudomonas aeruginosa. The Pd-NHC-PEPPSI complex 3f showed better activity than ampicillin against Micrococcus luteus, with an MIC of 0.035 mg mL(-1). In addition, the antioxidant activities of the complexes 3d and 3f showed considerable free radical scavenging activity.
  • Küçük Resim Yok
    Öğe
    Synthesis, crystallographic structure, theoretical analysis, molecular docking studies, electronic properties and biological activity evaluation of ruthenium-complex bearing N-heterocyclic carbene ligand
    (Royal Soc Chemistry, 2023) Slimani, I.; Amri, Nasser; Mukhrish, Yousef E.; Gurbuz, Nevin; Ozdemir, Ismail; Ghalla, Houcine; Ozdemir, Namik
    The development of new classes of antimicrobials is urgently needed due to the widespread occurrence of multi-resistant pathogens. In this study, novel ruthenium N-heterocyclic carbene 3 was synthesized and characterized by single X-ray crystallography, FT-IR, NMR spectroscopy and elemental analysis. The geometric structure of the ruthenium N-heterocyclic carbene has been optimized in the framework of density functional theory (DFT) using the B3LYP-D3 dispersion functional with LANL2DZ as a basis set. The vibrational frequency modes have been calculated and compared to the experimental ones. Various intermolecular interactions between neighboring molecules, which play a significant role in the determination of the structural packing pattern, are investigated using the generated Hirshfeld surfaces and non-covalent reduced density gradient (NCI-RDG) analysis. The electronic properties, such as the absorption spectrum, frontier orbital isosurfaces, energy gap, and reactivity descriptors, are computed employing the TD-DFT approach. The docking simulations allowed us to investigate the antimicrobial and antioxidant activities of the title compound and to figure out the impact of the substituted aromatic rings and the heteroatoms with the aim of the enhancement of biological activities.