Browsing by Author "Sayin, Koray"
Now showing items 1-20 of 47
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Antiproliferative, antioxidant, computational and electrochemical studies of new azo-containing Schiff base ruthenium(II) complexes
Inan, Ayse; Ikiz, Mesut; Tayhan, Secil Erden; Bilgin, Sema; Genc, Nusret; Sayin, Koray; Ceyhan, Gokhan; Kose, Muhammet; Dag, Ayse; Ispir, Esin (ROYAL SOC CHEMISTRY, 2018)A new series of ruthenium(II) complexes 7-11 containing the -N=N-group are synthesized and characterized via elemental analysis, and IR, UV-visible and H-1-C-13 NMR spectroscopy. The solid-state structures of 2, 6 and 9 ... -
Computational and experimental studies of 2-[(E)-hydrazinylidenemethyl]-6-methoxy-4-[(E)-phenyldiazenyl]phenol and its tautomers
Sayin, Koray; Kurtoglu, Nurcan; Kose, Muhammet; Karakas, Duran; Kurtoglu, Mukerrem (ELSEVIER SCIENCE BV, 2016)A new azo-chromophore group containing a hydrazine-Schiff base compound, 2-[(E)-hydrazinylidenemethyl]-6-methoxy-4-[(E)-phenyldiazenyl]phenol, was synthesized and structurally characterized by single crystal X-ray diffraction ... -
Computational investigations of trans platinum(II) oxime complexes used as anticancer drug
Sayin, Koray; Karakas, Duran (PERGAMON-ELSEVIER SCIENCE LTD, 2018)Some platinum oxime complexes are optimized at HF/CEP-31G level which has been reported as the best level for these type complexes in the gas phase. IR spectrum is calculated and the new scale factor is derived. NMR spectrum ... -
Computational study of some fluoroquinolones: Structural, spectral and docking investigations
Sayin, Koray; Karakas, Duran; Kariper, Sultan Erkan; Sayin, Tuba Alagoz (ELSEVIER SCIENCE BV, 2018)Quantum chemical calculations are performed over norfioxacin, tosufloxacin and levofloxacin. The most stable structures for each molecule are determined by thermodynamic parameters. Then the best level for calculations is ... -
Corrosion inhibition studies of N,N '-bis(4-formylphenol)-1,2-Diaminocyclohexane on steel in 1 HCl solution acid
Jafari, Hojat; Mohsenifar, Farhad; Sayin, Koray (ELSEVIER SCIENCE BV, 2016)The inhibition ability of N,N'-bis(4-formylphenol)-1,2-Diaminocyclohexane (4-HCD) on the carbon steel in 1 M hydrochloric acid solution was studied by electrochemical techniques and weight loss measurements. 4-HCD inhibited ... -
Crystal structure, thermal, luminescent and terahertz time domain spectroscopy of magnesium N-phthaloyl-beta-alaninate: A combined experimental and theoretical study
Nadeem, Muhammad; Bhatti, Moazzam H.; Sayin, Koray; Yunus, Uzma; Mehmood, Mazhar; Mehboob, Shoaib; Floerke, Ulrich (ELSEVIER SCIENCE BV, 2018)A magnesium complex using N-phthaloyl-beta-alanine (NPA) as ligand was synthesized and its crystal structure was characterized by single-crystal X-ray diffraction analysis. The Fourier transformation infrared spectroscopy ... -
Determination of structural, spectral, electronic and biological properties of tosufloxacin boron complexes and investigation of substituent effect
Sayin, Koray; Karakas, Duran (ELSEVIER SCIENCE BV, 2017)Quantum chemical calculations are performed over some boron complexes with tosufloxacin. Boron complex with fluorine atoms are optimized at HF/6-31+G(d), B3LYP/6-31+G(d) and M062X/6-31+G(d) level and the best level is ... -
DFT and TD-DFT studies on copper(II) complexes with tripodal tetramine ligands
Karakas, Duran; Sayin, Koray (NATL INST SCIENCE COMMUNICATION-NISCAIR, 2013)Copper(II) complexes, containing aliphatic tripodal tetramine ligand, [Cu(trpn)(NH3)](2+) (1), [Cu(tren)(NH3)](2+) (2), [Cu(332)(NH3)](2+) (3) and [Cu(322)(NH3)](2+) (4) are optimized at B3LYP/ LANL2DZ and B3LYP/GEN levels ... -
Dinuclear Cu(II) complexes of compartmental Schiff base ligands formed from unsymmetrical tripodal amines of varying arm lengths: Crystal structure of [Cu2L1](ClO4)(2) and theoretical studies
Keypour, Hassan; Shayesteh, Maryam; Rezaeivala, Majid; Sayin, Koray (ELSEVIER SCIENCE BV, 2016)Three new dinuclear copper complexes were synthesized via condensation reaction of three new unsymmetrical N-capped tripodal amines and. 2,6-diformy1-4-methylphenol, in the presence of copper(II) perchlorate. The solid-state ... -
Effect of Alkyl Chain Length on Adsorption Behavior and Corrosion Inhibition of Imidazoline Inhibitors
Jafari, Hojat; Mohsenifar, Farhad; Sayin, Koray (JIHAD DANESHGAHI, 2018)Inhibition performances of imidazoline derivatives with different alkyl chain length for carbon steel in H2S acid solutions has been studied by polarization curves, AC impedance measurements, current transient, Atomic Force ... -
Effect of pyridyl on adsorption behavior and corrosion inhibition of aminotriazole
Sayin, Koray; Jafari, Hojat; Mohsenifar, Farhad (ELSEVIER SCIENCE BV, 2016)2-Amino-1,3,4-triazole (AT), 3-(2-pyridyl)-2-Amino-1,3,4-triazole (2 -AT) and 3-(4-pyridyl)-2-Amino1,3,4-triazole (4 -AT) have been investigated as inhibitors for corrosion of carbon steel in 1 M hydrochloric acid. For ... -
Electrochemical and theoretical studies of adsorption and corrosion inhibition of aniline violet compound on carbon steel in acidic solution
Jafari, Hojat; Sayin, Koray (ELSEVIER SCIENCE BV, 2015)The inhibition ability of 4-[bis[4-(dimethylamino)phenyllmethyl]-N,N-dimethylaniline (Mv10B) on carbon steel in 1 M HCl solution was studied by electrochemical techniques. Mv10B inhibited carbon steel corrosion in 1 M HCl ... -
Half-sandwich Ruthenium(II) arene complexes bearing the azo-azomethine ligands: Electrochemical, computational, antiproliferative and antioxidant properties
Inan, Ayse; Sunbul, Ali Burak; Ikiz, Mesut; Tayhan, Secil Erden; Bilgin, Sema; Elmastas, Mahfuz; Sayin, Koray; Ceyhan, Gokhan; Kose, Muhammet; Ispir, Esin (ELSEVIER SCIENCE SA, 2018)Three novel azo-azomethine ligands have been synthesized in an accomplished one-pot synthesis protocol. The mononuclear Ru(II) complexes of these azo-azomethine dyes were prepared and characterized by the combination of ... -
Indium triflate and ionic liquid-mediated Friedlander synthesis of 2-acylquinolines
Satheeshkumar, Rajendran; Sayin, Koray; Kaminsky, Werner; Prasad, Karnam Jayarampillai Rajendra (TAYLOR & FRANCIS INC, 2017)Friedlander synthesis of 2-acylquinolines from the reaction of symmetrical and unsymmetrical 1,2-diketones with 2-aminoarylketones in the presence of indium triflate (In(OTf)(3)) and ionic liquid gives quantitative yields. ... -
Investigation of anticancer properties of caffeinated complexes via computational chemistry methods
Sayin, Koray; Ungordu, Ayhan (PERGAMON-ELSEVIER SCIENCE LTD, 2018)Computational investigations were performed for 1,3,7-trimethylpurine-2,6-dione, 3,7-dimethylpurine-2,6-dione, their Ru(II) and Os(III) complexes. B3LYP/6-311 ++G(d,p)(LANL2DZ) level was used in numerical calculations. ... -
The investigation of corrosion inhibition efficiency on some benzaldehyde thiosemicarbazones and their thiole tautomers: Computational study
Karakus, Nihat; Sayin, Koray (ELSEVIER SCIENCE BV, 2015)Quantum chemical calculations using three methods, Hartree-Fock (HF), Moller-Plesset (MP) and density functional theory (DFT/B3LYP) method with SOD, 6-31G(d,p) and 6-31++G(d,p) basis sets are performed some benzaldehyde ... -
Investigation of structural and biological properties of N-heterocyclic carbene silver(I) and palladium(II) complexes
Sayin, Koray (TAYLOR & FRANCIS LTD, 2018)Computational investigations were done on bis(1-allyl-3-benzyl-2,3-dihydro-1H-benzo[d]imidazol-2-yl)silver(I), bis(1-benzyl-3-butyl-2,3-dihydro-1H-benzo[d]imidazol-2-yl)silver(I), bis(1-allyl-3-benzyl-2,3-dihydro-1H-benz ... -
Investigation of Structural, Electronic and Biological Properties of Two Zn(II) Complexes with Pentaaza Macrocyclic Schiff-Base Ligand: A DFT Approach
Sayin, Koray; Karakas, Duran (SPRINGER/PLENUM PUBLISHERS, 2017)Two zinc(II) complexes, [(ZnLBr)-Br-1](+) (1), and [ZnL2](2+) (2), are optimized by using density functional theory at B3LYP method with mix basis sets which are LANL2DZ/6-31G(d,p) and LANL2TZ+/6-31++G(d,p) basis sets. L-1 ... -
Investigation of structural, electronic properties and docking calculations of some boron complexes with norfloxacin: A computational research
Sayin, Koray; Karakas, Duran (PERGAMON-ELSEVIER SCIENCE LTD, 2018)Quantum chemical calculations are performed over BF2R (1), B(NO)(2)R (2), B(CN)(2)R (3) and B(CH3)(2)R (4) IR: 1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yI)-1,4-dihydroquinoline-3-carboxylate]. Mentioned boron complex with ... -
The investigation of the solvent effect on coordination of nicotinato ligand with cobalt(II) complex containing tris(2-benzimidazolylmethyl) amine: A computational study
Sayin, Koray; Karakas, Duran (ELSEVIER SCIENCE BV, 2014)The electronic structure of [Co(ntb)(nic)(+) complex ion are optimized by using density functional theory (DFT) method with mix basis set. Where (ntb) represents tris(2-benzimidazolylmethyl)amine ligand and (nic) is the ...