| Yazarlar |
Doç. Dr. Halit MUĞLU
Kastamonu Üniversitesi, Türkiye |
Hasan Yakan
Ondokuz Mayıs Üniversitesi, Türkiye |
|
Ghaith Alabed Ibrayke Elefkhakry
|
Prof. Dr. Ergin Murat ALTUNER
Kastamonu Üniversitesi, Türkiye |
Doç. Dr. Muhammet Serdar ÇAVUŞ
Kastamonu Üniversitesi, Türkiye |
| Özet |
| New bis-1,3,4-thiadiazoles 1–7 were obtained by the reaction of fumaric acid and N-(alkyl/aryl/cyclic)thiosemicarbazides in the presence of phosphorous oxychloride. The structures of all compounds were elucidated by FT-IR, 1H NMR, and 13C NMR and elemental analysis. Antibacterial activity of the compounds was studied for eight selected bacteria. Compounds 2–7 exhibited effect on Klebsiella pneumoniae. However, none of the compounds effect on Pseudomonas aeruginosa, Staphylococcus epidermidis, Salmonella enterica serovar Kentucky, Serratia marcescens. Self-consistent reaction force (SCRF) calculations were performed in DMSO medium to examine solvent energies using CPCM and SMD models. 6-31G(d) and 6-311++G(2d,2p) basis sets were used for DFT calculations. Besides electronic parameters such as electronegativity, electrophilicity and spectroscopic examinations of the compounds, QTAIM, local electron affinities, and Fukui analyses were also performed. Theoretical approaches supporting the experimental observations revealed that compounds containing aromatic and cyclic groups exhibit stronger antibacterial behavior than compounds containing aliphatic groups. |
| Anahtar Kelimeler |
| 3 | 4-thiadiazoles; fumaric acid; antibacterial activity; spectroscopic methods; DFT calculations | Bis-1 |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | ACTA CHIMICA SLOVENICA |
| Dergi ISSN | 1318-0207 |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q3 |
| Makale Dili | Türkçe |
| Basım Tarihi | 01-2023 |
| Cilt No | 70 |
| Sayı | 2 |
| Sayfalar | 247 / 260 |
| Doi Numarası | 10.17344/acsi.2022.7822 |
| Makale Linki | http://dx.doi.org/10.17344/acsi.2022.7822 |
