Browsing by Author "Akbas, E."

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Corrosion Inhibition of Austenitic Stainless Steel by Some Pyrimidine Compounds in Hydrochloric Acid
(Wiley-v C H verlag Gmbh, 2012) Caliskan, N.; Akbas, E.
The inhibition effect of two pyrimidine derivatives on the corrosion of austenitic stainless steel in 1?M HCl has been studied by Tafel plot, linear polarization, and electrochemical impedance spectroscopy (EIS) at 298?K. Results showed that compounds inhibited steel corrosion in a 1?M HCl solution and inhibition efficiencies increased with the concentration of inhibitor. Polarization curves indicated that all studied pyrimidine derivatives act as mixed type (cathodic/anodic) inhibitors. The adsorption of the inhibitors on the stainless steel surface was found to obey the Langmuir and DubininRadushkevich adsorption isotherm models. Negative values of ?Gads in the acidic media ensured the spontaneity of the adsorption process.
Investigation of Electronic Properties of Substituted Pyrimidine Derivatives With Density Functional Theory
(ISRES Publishing, 2019) Ergan, E.; Akbas, E.
Quantum chemical calculations are widely used in the reactivity of organic compounds. The configuration in the methodology reached a point where the reasonably predicted properties could be obtained from the density functional theory (DFT) calculations. The geometry and molecular orbitals of organic compounds are characterized by their activities. The electronic properties of the compounds are related to the frontier orbital energy of highest occupied molecular orbital energy (EHOMO), lowest unoccupied molecular orbital energy (ELUMO), and energy gap (ΔE LUMO-HOMO). In this study, compounds of pyrimidine have been researched the electronic properties using density functional theory. © 2019 Published by ISRES.
Quantum Chemical Calculations for Corrosion Inhibition of Pyrimidine Derivatives
(ISRES Publishing, 2019) Akbas, E.; Ergan, E.; Donmez, H.
The inhibition properties of compounds have been correlated with frontier orbital energy of highest occupied molecular orbital energy (EHOMO), lowest unoccupied molecular orbital energy (ELUMO), and energy gap (ΔELUMO–HOMO). There is a good correlation between the speed of corrosion and EHOMO that is often associated with the electron donating ability of the molecule. The literature shows that the adsorption of the molecule on the metal surface can occur on the basis of donor–acceptor interactions between the lone pairs on hetero atoms or π electrons of the molecule and the empty d orbital of the metal atom. In the present work, pyrimidine derivatives have been investigated as corrosion inhibitors for iron using density functional theory. © 2019 Published by ISRES.
Synthesis and Antibacterial Activity of 4-Benzoyl Pyrazole-3 Acid and Derivatives
(2005) Akbas, E.; Berber, I.; Sener, A.; Hasanov, B.
Some new 1H-pyrazole-3-carboxylic acid and pyridazinone derivatives were synthesized and evaluated for their antibacterial activities against Bacillus cereus ATCC 7064, Staphylococcus aureus ATCC 6538, Escherichia coli ATCC 4230 and Pseudomonas putida using tube dilution method. The minimal inhibitory concentrations (MICs) experiments revealed that all chemical compounds showed inhibitor effects on the growth of the test microorganisms. Moreover, the results of this research showed that the compound named as 5c was the best compound in the series, exhibiting antibacterial activity against both Gram-positive and Gram-negative bacteria. © 2004 Published by Elsevier SAS.
Synthesis and Spectral Studies of Pyranone Derivative and Its Cu(Ii), Co(Ii), Ni(Ii) and Zn(Ii) Complexes
(Maik Nauka/interperiodica/springer, 2008) Akbas, E.; Sonmez, M.; Anil, B.; Aslanoglu, F.
Under the thermolysis condition, 5-phenyl-2,3-dihydro-2,3-furandione (IV) in inert aprotic solvents as p-xylene at 130-140 degrees C yields 3-benzoyl-4-hydroxy-6-plienyl-2H-pyran-2-one (VI) via phenyl ketene (V). The compound (VI) was converted into the corresponding 3-benzoyl-4-hydroxy-6-plienylpyridin-2(1H)one (VII), and 3-benzoyl-2-oxo-6-phenyl-2H-pyran-4-yl acetate (VIII), by its reactions with ammonium hydroxydc, and acetic anhydride, respectively. On the other hand, a series of new various metal complexes (IX-XIa, XIb) of VI was synthesizec.. The results suggest that the compound VI as bidentate ligand indicate a binuclear structure for the Cu(II) complex with square-planar geometry. The Ni(II) and Zn(II) complexes are of tetrahedral and the Co(II) complex. is also octahedral geometry with water molecules at the axial positions. The structures of compounds and complexes were characterized on the basis of elemental analysis, Mass, IR, H-1, and C-13 NMR spectra.
Synthesis, Characterization, Antioxidant Properties and Dft Calculation of Some New Pyrimidine Derivatives
(Taylor and Francis Ltd., 2019) Akbas, E.; Ergan, E.; Sahin, E.; Ekin, S.; Cakir, M.; Karakus, Y.
In this study, 5-benzoyl-4-(4-(methylthio)phenyl)-6-phenyl-1,2,3,4-tetrahydro-2-thioxo (1), oxo (2) and imino (3) pyrimidine derivatives were prepared via Multicomponent Cyclocondensation Reactions (MCRs). The compounds thiazolo[3,2-a]pyrimidin-3(5H)-one (4) and thiazin-4(6H)-one (5) were obtained via the reaction of compound 1 with bromoacetic acid and 3-bromopropionic acid, respectively. Structures were determined by using FT-IR, 1H/13C NMR and elemental analyses. Also the compounds 4 and 5 were analyzed by X-ray single crystal analysis. All compounds were investigated as corrosion inhibitors using density functional theory (DFT) at the level of B3LYP/6-31G (d, p). According to the calculations, the compound 3 appears to be a good inhibitor for corrosion. On the other hand, total antioxidant properties were measured in vitro by DPPH•, ABTS•+ test, hemolysis of phenylhydrazine erythrocytes and metal chelating effect. The results were compared with standard antioxidants such as trolox and α-tocopherol. These data revealed that compounds 1, 2 and 5 are more active with respect to 3 and 4 in scavenging the radicals. © 2018, © 2018 Taylor & Francis Group, LLC.