| Yazarlar |
Dr. Öğr. Üyesi Murat ÇINARLI
Kırşehir Ahi Evran Üniversitesi, Türkiye |
Esra Çınarlı
|
|
Çiğdem Yüksektepe Ataol
Çankırı Karatekin Üniversitesi, Türkiye |
|
Önder İdil
Amasya Üniversitesi, Türkiye |
|
Ergin Kariptaş
Kırşehir Ahi Evran Üniversitesi, Türkiye |
| Özet |
| The NNO tridentate Schiff base ligand of 2-benzoyl pyridine sulfonyl hydrazone (HL) and its transition metal complexes [CoL2] (1), [NiL2] (2) and [ZnL2] (3) have been synthesized and characterized by analytical and spectroscopic studies. The molecular structures of HL and [NiL2] (2) have been investigated by X-ray diffraction and DFT/B3LYP methods. Based on the optimized structures, a single point energy calculation was made for HL and (2) in the different solvent media. The stability of the molecular structures was investigated in different solvent environments by calculating the molecular orbital energies and total energies of the molecular structures. The global reactivity parameters were obtained and the interactions between the molecules with DNA bases such as adenine, cytosine, guanine, and thymine were investigated by using the ECT (electrophilicity-based charge transfer) method and ΔN (charge transfer). Hirshfeld surfaces of HL and (2) complex were investigated and the interaction energies between the molecules participating in C–H⋯O/π interactions in the molecular structures were calculated by using the CE-HF energy model. From elemental analysis data, the metal-ligand ratio of the complexes was found to be 1:2. All compounds were examined for their antimicrobial activity against pathogenic microorganisms by the well-diffusion method. DNA cleavage studies of compounds were screened by the agarose gel electrophoresis method. The results showed that complex (3) showed highly nicking activity, while HL, (1) and (2) complexes didn't show any nicking activity. |
| Anahtar Kelimeler |
| 2-Benzoyl pyridine | DNA bases | Hirshfeld surface | Metal complexes of sulfonylhydrazone | Sulfonohydrazone | X-ray single crystal |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | Journal of Molecular Structure |
| Dergi ISSN | 0022-2860 |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Makale Dili | İngilizce |
| Basım Tarihi | 11-2019 |
| Cilt No | 1196 |
| Sayfalar | 760 / 770 |
| Doi Numarası | 10.1016/j.molstruc.2019.07.008 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S0022286019308427 |
| Atıf Sayıları | |
| SCOPUS | 9 |
