Yazar "Arslan, T." seçeneğine göre listele

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    ETM-ANN Approach Application for Thiobenzamide and Quinolizidine Derivatives
    (HINDAWI PUBLISHING CORPORATION, 2010) Saracoglu, M.; Kandemirli, F.; Kovalishyn, V.; Arslan, T.; Ebenso, E. E.
    The structure anti-influenza activity relationships of thiobenzamide and quinolizidine derivatives, being influenza fusion inhibitors, have been investigated using the electronic-topological method (ETM) and artificial neural network (ANN) method. Molecular fragments specific for active compounds and breaks of activity were calculated for influenza fusion inhibitors by applying the ETM. QSAR descriptors such as molecular weight, E(HOMO), E(LUMO), Delta E, chemical potential, softness, electrophilicity index, dipole moment, and so forth were calculated, and it was found to give good statistical qualities (classified correctly 92%, or 48 compounds from 52 in training set, and 69% or 9 compounds from 13 in the external test set). By using multiple linear regression, several QSAR models were performed with the help of calculated descriptors and the compounds activity data. Among the obtained QSAR models, statistically the most significant one is the one of skeleton 1 with R(2) = 0.999.
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    Inhibition Effects of Amides on the Corrosion of Copper in 1.0 M HCl: Theoretical and Experimental Studies
    (NATL ASSOC CORROSION ENG, 2011) Zor, S.; Saracoglu, M.; Kandemirli, F.; Arslan, T.
    The corrosion inhibition effects of benzamide (BA) and 4-aminobenzenesulfonamide (ABSA) for copper in 1.0 M hydrochloric acid (HCl) solution were investigated using potentiodynamic polarization, cyclic voltammetry (CV), and potentiostatic current-time curves. The Langmuir adsorption isotherms of the inhibitors were used to explain the adsorption behavior. In addition, surface analysis of copper was investigated using scanning electron microscopy (SEM). The results showed that the inhibition efficiency of ABSA was much better than those of BA. The theoretical study on the corrosion inhibition efficiencies for neutral and protonated forms of the BA and ABSA molecules were performed using density functional theory (DFT) and MP2 method in gas and water phases.