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    Synthesis, spectroscopic studies and electrochemical properties of Schiff bases derived from 5-chloro-2-hydroxybenzaldehyde with methyl 2-amino-6-methyl-4,5,6,7-tetrahydrobenzo[b] thiophene-3-carboxylate
    (Bulgarian Acad Science, 2016) Colak, N.; Gunduzalp, A. B.; Mamas, S.; Akkaya, D.; Kaya, K.
    Schiff base; methyl 2-((5-chloro-2-hydroxybenzylidene) amino)-6-methyl-4,5,6,7-tetrahydrothieno[ 2,3-c] pyridine-3-carboxylate was synthesized by the reaction of methyl 2-amino-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c] pyridine-3-carboxylate with 5-chloro-2-hydroxybenzaldehyde in excellent yield. This compound was characterized by elemental analysis, NMR (H-1 and C-13-APT), FT-IR and X-ray diffraction methods. The electrochemical behavior of Schiff base was investigated using cyclic voltammetry (CV), controlled potential electrolysis and chronoamperometry (CA) techniques. The number of electrons transferred (n), diffusion coefficient (D) and standard heterogeneous rate constants (k(s)) were also determined by electrochemical methods.
  • [ X ]
    Öğe
    Synthesis, Structure, DFT Calculations, and In Silico Toxic Potential of Ni(II), Zn(II), and Fe(II) Complexes with a Tridentate Schiff Base
    (Maik Nauka/Interperiodica/Springer, 2021) Turan, N.; Tanis, E.; Buldurun, K.; Colak, N.
    The Schiff base ligand has been synthesized from 5-bromo-2-hydroxybenzaldehyde and ethyl 6-acetyl-2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, and complexed with Ni(II), Zn(II), and Fe(II). Elemental analysis, spectral data and calculations on the DFT/UB3LYP/LANL2DZ level of the ligand and its metal(II) complexes have supported geometric and electronic characteristics of the compounds. Interactions of the products with 16 target proteins have been simulated. Kinetics stability, binding affinities (IC50), and toxic potential (TP) of the ligand-protein complexes have been approached with the aid of molecular simulation. The ligand has been identified as a compound of low toxicity.