مشخصات پژوهش

خانه /A novel 3D Ag (I) ...
عنوان
A novel 3D Ag (I) metal-organic coordination polymer (Ag-MOCP): Crystallography, Hirshfeld surface analysis, antibacterial effect and molecular docking studies
نوع پژوهش مقالات در نشریات
کلیدواژه‌ها
Metal organic coordination polymer; Ultrasound irradiation; Hirshfeld surface analysis; 1,4-Phenylenedipropionic acid; Antibacterial; Silver; Molecular docking studies
چکیده
Sub-micro and nanoparticles of silver (I) metal-organic coordination polymer [Ag2L]n (1) (H2L=1,4-phenylenedipropionic acid) were fabricated using a sonochemical technique. X-ray powder diffraction (XRPD), Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), and elemental analyses, were employed to characterize the structure. The single-crystal X-ray results obtained from compound 1 showed that the Ag atoms were five coordinated. Differential thermal analyses (DTA) and thermal gravimetric (TG) were used to study the compound 1 thermal stability. The impact of sonication force, reaction period, the concentration of the reactant, and the temperature on the formation and the ultimate nanostructure morphology, generated by the sonochemical approach, were also studied. The findings showed that raising the temperature and shortening the reaction time reduced particle size. Different amounts of reactants, as well as reaction duration, had a direct impact on the final nanostructure size (1), while temperature and sonication strength indicated an opposite impact. In addition, the antibacterial features of silver (I) nanostructures were explored. The Hirshfeld surfaces of Ag-MOCP crystal packing and the fingerprint maps were used to obtain data regarding non-covalent interactions, furthermore molecular docking studies were carried out to explore the binding interactions with target cells.
پژوهشگران آقایی مریم (نفر اول)، خسرو محمدی (نفر دوم)، پیام حیاتی (نفر سوم)، پریا شرفی بدر (نفر چهارم)، فاطمه یزدیان (نفر پنجم)، آنجل گوتیرز (نفر ششم به بعد)، صادق رستم نیا (نفر ششم به بعد)، فضل الله عشقی (نفر ششم به بعد)