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    N-((5-chloropyridin-2-yl)carbamothioyl)furan-2-carboxamide and its Co(II), Ni(II) and Cu(II) complexes: Synthesis, characterization, DFT computations, thermal decomposition, antioxidant and antitumor activity
    (Elsevier, 2017) Yesilkaynak, Tuncay; Ozpinar, Celal; Emen, Fatih Mehmet; Ates, Burhan; Kaya, Kerem
    N-((5-chloropyridin-2-yl)carbamothioyl)furan-2-carboxamide (HL: C11H8CIN3O2S) and its Co(II), Ni(II) and Cu(II) complexes have been synthesized and characterized by elemental analysis, FT-IR,H-1 NMR and HR-MS methods. The HL was characterized by single crystal X-ray diffraction technique. It crystallizes in the monoclinic system. The HL has the space group P 1 2(1)/c 1, Z = 4, and its unit cell parameters are a = 4.5437(5) angstrom, b = 22.4550(3) angstrom, c = 11.8947(14) angstrom. The ligand coordinates the metal ions as bidentate and thus essentially yields neutral complexes of the [ML2] type. ML2 complex structures were optimized using B97D/TZVP level. Molecular orbitals of both HL ligand were calculated at the same level. Thermal decomposition of the complexes has been investigated by thermogravimetry. The complexes were screened for their anticancer and antioxidant activities. Antioxidant activity of the complexes was determined by using the DPPH and ABTS assays. The anticancer activity of the complexes was studied by using MTT assay in MCF-7 breast cancer cells. (C) 2016 Elsevier B.V. All rights reserved.
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    Öğe
    Novel thiourea derivative and its complexes: Synthesis, characterization, DFT computations, thermal and electrochemical behavior, antioxidant and antitumor activities
    (Elsevier Science Bv, 2017) Yesilkaynak, Tuncay; Muslu, Harun; Ozpinar, Celal; Emen, Fatih Mehmet; Demirdogen, Ruken Esra; Kulcu, Nevzat
    A novel thiourea derivative, N-((2-chloropyridin-3-yl)carbamothioyl) thiophene-2-carboxamide,C11H8ClN3OS2(HL) and its Co(II), Ni(II) and Cu(II) complexes (ML2 type) were prepared and characterized by elemental analysis, FT-IR,H-1 NMR and HR-MS methods. The crystal structure of HL was also investigated by single crystal X-ray diffraction study. The HL crystallizes in the orthorhombic crystal system with P 2(1)2(1)2(1) space group, Z= 4, a = 3.8875(3) angstrom, b = 14.6442(13) angstrom, c = 21.8950(19) angstrom. The [ML2] complex structures were optimized by using B97D/TZVP level. Molecular orbitals of HL ligand were calculated at the same level. Thermal and electrochemical behaviors of the complexes were investigated. Anticancer and antioxidant activities of the complexes were also investigated. Antioxidant activities were determined by using DPPH (2,2-diphenyl-1-picrylhydrazyl) and ABTS (2,2'-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid) assays. Anticancer activities were studied via MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) assay in MCF-7 (Michigan Cancer Foundation-7) breast cancer cells. (C) 2017 Elsevier B.V. All rights reserved.