《A new zinc(II) complex with N2O2-tetradentate Schiff-base derived from pyridoxal-S-methylthiosemicarbazone: Synthesis, characterization, crystal structure, DFT, molecular docking and antioxidant activity studies》 was written by Poladian, Qumars; Sahin, Onur; Karakurt, Tuncay; Ilhan-Ceylan, Berat; Kurt, Yasemin. Related Products of 673-22-3This research focused onzinc Schiff methylthiosemicarbazone hydroxymethoxybenzaldehyde complex preparation antioxidant; frontier mol orbital zinc Schiff methylthiosemicarbazone hydroxymethoxybenzaldehyde complex; crystal structure zinc Schiff methylthiosemicarbazone hydroxymethoxybenzaldehyde complex. The article conveys some information:
A new unsym. N2O2-tetradentate Schiff-base complex of zinc(II) was synthesized by the template reaction of pyridoxal-S-methylthiosemicarbazone and 2-hydroxy-4-methoxy-benzaldehyde as starting compounds S-methylthiosemicarbazone (1) and zinc(II) complex [Zn(L)CH3OH] (2) were characterized by elemental anal., FT-IR, UV-visible, 1H, and 13C NMR spectra. The mol. structure of 2 was determined by single crystal X-ray diffraction technique. The structure consists of a distorted square-pyramidal geometry around the central metal, Zn(II). Quantum chem. calculations were carried out using d. functional theory DFT/B3LYP, 6-31G (d), and LanL2DZ basis sets for theor. characterization of the compounds The exptl. and theor. data were compared comprehensively. The potential energy distribution (PED) anal. was performed for the assignment of vibration frequencies. In order to support in vitro studies, mol. docking studies were carried out so that the title compound can be an inhibitor of Epidermal Growth Factor Receptor (1 m17), and the relationship between calculated HOMO energies and docking studies was examined In addition, the total antioxidant capacity (as TEAC value) and free radical scavenging activity of the compounds were determined by Cupric Reducing Antioxidant Capacity (CUPRAC) and 1,1-diphenyl-2-picryl hydrazyl (DPPH) methods, resp. In the experimental materials used by the author, we found 2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3Related Products of 673-22-3)
2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3) is the main component of root bark essential oil of Periploca sepium Bunge. It is a potential tyrosinase inhibitor present in African medicinal plants. 2-Hydroxy-4-methoxybenzaldehyde was used in the synthesis of Schiff base ligand.Related Products of 673-22-3
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