
First, 1,4 p i perazinediacetic acid 1,4 diethyl ester (1) was synthesized and identified by single crystal X ray diffraction analysis. Later , 1,4 piperazinediacetic acid, 1,4 dihydrazide 2 ) a nd its nickel (II) (Ni(II)) and copper (II) (Cu(II)) complexes were synthesiz e d T heir structures were characterized by elemental analysis, LC MS, FT IR, NMR, molar conductivity and magnetic susceptibility methods. Using density functional theory (DF T) ge ometry optimization s of the compounds w ere carried out and HOMO/LUMO energie s and related some physical parameters wa re calculated. In addition, NMR chemical shift values of (1) and (2) compounds were calculated with DFT/ B3LYP/6 311++G(d,p) method an d co mpared with the experimental findings. The antibacterial activities of the co m pounds were screened against three Gram positive ; 'Salmonella typhimurium ATCC 14028, Staphylococcus aureus ATCC 25923, Enterococcus faecalis ATCC 29212 and three Gram ne g ati ve 'Escherichia coil ATCC 25922, Klebsiella pneumonia ATCC 27853, Pseudomonas aeruginosa ATCC 27853 ''' bacteria using the microdilution and disk diffusion methods. Baker's yeast glutathione reductase and human erythrocyte glutathione reductase inhibi to r y e ffects of the compounds were also evaluated and SAR analysis was ca rried out.
Önce, 1,4 p iperazindiasetikasit, 1,4 dietilester (1) sentezlendi ve yapısı tek kristal X ışınları kırınım yöntemiyle aydınlatıldı. Daha s onra, 1,4 piper az i ndiasetik asit, 1,4 dih idrazid (2) ve bunun nikel II) (Ni(II)) ve bakır(II) Cu(II )) kompleksleri sentezlendi . Y apıları ; element analizi, LC MS, FT IR, NMR, molar iletkenlik ve manyetik duyarlık metotları ile belirlendi. Y oğunluk fonksiyonu teorisi (DF T) kullanılarak bileşiklerin g eometri optimizasyon ları yapıldı ve HOMO/LUMO enerjileri ve buna bağlı bazı fiziksel parametrel eri hesaplandı. Ayrıca, (1) ve (2) bileşiklerinin NMR kimyasal kayma değerleri DFT/B3LYP/6 311++G(d,p) metodu ile hesaplandı ve den ey s el verilerle mukayese edildi. Sentezlenen bileşiklerin üç Gram pozitif 'Salmonell a typhimurium ATCC 14028, Staphylococcus aureus ATCC 25923, Enterococcus faecalis ATCC 29212 ve üç Gram negatif 'Escherichia coil ATCC 25922, Klebsiella pneumonia ATC C 2 7853, Pseudomonas aeruginosa ATCC 27853 bakterilere karşı antimikrobi y al aktivite leri mikrodilüsyon (MİK) i le disk difüzyon yöntemi ile incelendi. Ayrıca, bileşiklerin Baker's yeast (ekmek mayası) ve insan eritrosit gulutatyon redüktaz enzimine karşı in h ibitör etkileri değerlendirildi ve SAR analizleri yapıldı.
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