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    An Eco-friendly Approach to C-H Bond Activation through Microwave Irradiation Employing Synthesized Palladium-PEPPSI-NHC Complexes
    (Amer Chemical Soc, 2025) Slimani, Ichraf; Ozdemir, Ismail; Gurbuz, Nevin; Alici, Bulent; Arslan, Nahide Burcu; Ozdemir, Namik
    The formation of carbon-carbon bonds constitutes one of the most fundamental synthetic operations in organic chemistry. Arylation of heteroarenes through C-H bond activation using Pd-PEPPSI complexes as catalysts was widely performed using the classical heating method. However, the use of this heating method is associated with an unfavorable environmental profile, as they generally use a high reaction temperature, a high catalyst load, and a long reaction time. Herein, we disclose the synthesis of new Pd-PEPPSI-NHC complexes bearing NHC ligands, which were tested as a catalyst in the arylation of 2-acethylfuran and 2-acethylthiophene with different aryl bromides using microwave irradiation. This novel method provides access to the biaryl scaffolds in good yields using 0.5 mol % as catalyst loading and at 110 degrees C. The structure of the five palladium(II) complexes has been elucidated through NMR 1H, 13C, and FT-IR spectroscopy. Furthermore, the square-planar geometry of the organometallic ion was confirmed by single-crystal X-ray diffraction carried out on complexes 3b and 3e.
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    Functionalized imidazolium and benzimidazolium salts as paraoxonase 1 inhibitors synthesis characterization and molecular docking studies
    (Bioorganic & Medicinal Chemistry, 2016) Karataş, Mert Olgun; Uslu, Harun; Alıcı, Bülent; Gökçe, Başak; Gençer, Nahit; Arslan, Oktay; Arslan, Nahide Burcu; Özdemir, Namık
    Paraoxonase (PON) is a key enzyme in metabolism of living organisms and decreased activity of PON1 was acknowledged as a risk for atherosclerosis and organophosphate toxicity. The present study describes the synthesis, characterization, PON1 inhibitory properties and molecular docking studies of functionalized imidazolium and benzimidazolium salts (1a–5g). The structures of all compounds were elucidated by IR, NMR, elemental analysis and structures of compounds 2b and 2c were characterized by single-crystal X-ray diffraction. Compound 1c, a coumarin substituted imidazolium salt showed the best inhibitory effect on the activity of PON1 with good IC50 value (6.37 lM). Kinetic investigation was evaluated for this compound and results showed that this compound is competitive inhibitor of PON1 with Ki value of 2.39 lM. Molecular docking studies were also performed for most active compound 1c and one of least active compound 2c in order to determine the probable binding model into active site of PON1 and validation of the experimental results.