Synthesis, characterization, DFT studies of piperazine derivatives and its Ni(II), Cu(II) complexes as antimicrobial agents and glutathione reductase inhibitors
Yazarlar (6)
Prof. Dr. Neslihan ÖZBEK Kırşehir Ahi Evran Üniversitesi, Türkiye
Serhat Mamaş Gazi Üniversitesi, Türkiye
Prof. Dr. Saliha Alyar Karatekin University, Türkiye
Türkan Erdoğdu
Gazi Üniversitesi, Türkiye
Gazi Üniversitesi, Türkiye
Kerem Kaya İstanbul Teknik Üniversitesi, Türkiye
Nurcan Karacan Gazi Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure (Q3) | ||
| Dergi ISSN | 0022-2860 Dergi Bilgileri (2018) | ||
| Dergi Tarandığı Indeksler | SCI | ||
| Makale Dili | İngilizce | Basım Tarihi | 05-2018 |
| Cilt / Sayı / Sayfa | 1171 / 1 / 834–842 | DOI | 10.1016/j.molstruc.2018.06.076 |
| Makale Linki | https://doi.org/10.1016/j.molstruc.2018.06.076 | ||
| UAK Araştırma Alanları |
Anorganik Kimya
|
||
| Özet |
| 1,4-Piperazinediacetic acid and 1,4-diethyl ester (1) were prepared by treating 1,4-piperazine with ethylchloroacetate; and its structure was identified by single crystal X-ray diffraction analysis. Then, 1,4-piperazinediacetic acid, 1,4-dihydrazide (2) and its metal complexes (2-Ni(II) and 2-Cu(II)) were synthesized, respectively. Their structures were characterized by elemental analysis, ESI-MS, IR and NMR spectral data. The electrochemical behavior of compounds was investigated using cyclic voltammetry (CV). The density functional theory (DFT) was used for geometry optimization, HOMO and LUMO energies, HOMO–LUMO energy gap and dipole moment of the compounds. It has been observed that the calculated band gaps for complexes are much smaller than ligands. Furthermore,13C and1H NMR analyses of (1) and (2) compounds were performed at B3LYP/6-311++G(d,p) level of theory and compared with … |
| Anahtar Kelimeler |
| Cyclic voltammetry | Glutathione reductase | HOMO-LUMO | MIC | Piperazine |
Science Direct
Synthesis, characterization, DFT studies of piperazine derivatives and its Ni(II), Cu(II) complexes as antimicrobial agents and glutathione reductase inhibitors
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 6 |
| Scopus | 6 |
| Google Scholar | 4 |