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    Cytotoxic effect, spectroscopy, DFT, enzyme inhibition, and moleculer docking studies of some novel mesitylaminopropanols: Antidiabetic and anticholinergics and anticancer potentials
    (09 October 2021) Tüzün, Burak; Çakmak, Neşe Keklikçioğlu; Tunçbilek, Zuhal; Taş, Ayhan; Taslimi, Parham; Khalilov, Ali N.
    b-Amino alcohols (2–4) used in this study were re-synthesized in accordance with our previous study. All compounds were characterized by the combination of NMR, UV–Vis, IR experimental and theoretical spectral data. Then, the cytotoxic activity studies of the molecules on SH-SY5Y and L-929 cell lines showed that compound 2 has the highest activity on SH-SY5Y cells. Afterwards, the inhibition properties of these derivatives were tested toward acetylcholinesterase (AChE) and a-Glycosidase (a-Gly) enzymes. The studied molecules were optimized on B3LYP, HF, M062X level 3–21 g, 6–31 g, and SDD basis sets. Molecular docking calculations were made to determine the biological activity values of the amino alcohols against the enzymes. Finally, the drug properties of molecules were investigated by ADME/T analysis.
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    Removal of Acid Orange 74 from wastewater with TiO2 nanoparticle
    (Ceyhun YILMAZ, 2019) Canbaz, Gamze Topal; Çakmak, Neşe Keklikçioğlu; Eroğlu, Atakan; Açıkel, Ünsal
    The use of nanomaterials in wastewater treatment has gained importance. Nano-structured adsorbents have good adsorption potential due to their properties such as large surface area. In this study, removal of AO74 (Acid Orange 74) from the waters with TiO2nanoparticles were investigated. TiO2 nanoparticles were synthesized by sol–gel method. The X-ray diffraction (XRD), Scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FTIR) and Ultraviolet–visible spectroscopy (UV–VIS) spectrometer techniques were used to characterize the synthesized products. Stability analysis was performed by zeta potential analysis. The anatase phase of the TiO2 nanoparticles was confirmed by XRD analysis. The SEM micrographs revealed the spherical-like morphology with average diameter of about 32 nm which agrees with XRD results. FTIR spectra show the vibrational mode of TiO2 around 600 cm-1. Absorption peak in the UV region at 320 nm are observed. This peak is characteristics of nano-sized TiO2nanoparticles. If the measured zeta potential absolute value is greater than 35 mV, it can be said that the produced nanofluid is stable. The zeta potential value greater than 35 mV in all measurements in this study, so that the synthesized TiO2 nanoparticle is stable in the fluid medium. pH (2-5), contact time (10-120 min) and initial dye concentration (20-100 mg / L) were investigated to determine the adsorption potential of TiO2 nanoparticles. The optimum parameters for adsorption of AO74 were determined as pH and contact time, respectively: 5 and 75 minutes. The adsorption system is compatible with Langmuir and Freundlich isotherms. As a result, TiO2 nanoparticles were identified as suitable adsorbent for removal of AO74.