| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure (Q4) | ||
| Dergi ISSN | 0022-2860 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 07-2017 |
| Cilt / Sayı / Sayfa | 1139 / 1 / 111–118 | DOI | 10.1016/j.molstruc.2017.03.019 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S0022286017302806 | ||
| Özet |
| In the study, some new 1,3,4-thiadiazole compounds were synthesized and we have reported identification of the structures by using UV-Vis, FT-IR, 1H NMR, 13C NMR and Mass spectroscopic methods. Antimicrobial activities of the compounds against three microorganisms, namely, Candida albicans ATCC 26555, Staphylococcus aureus ATCC 9144, and Escherichia coli ATCC 25922 were investigated by using disk diffusion method. These thiadiazoles exhibited an antimicrobial activity against Staphylococcus aureus and Candida albicans. The experimental data was supported by the quantum chemical calculations. Density functional theory (DFT) calculations were carried out to obtain the ground state optimized geometries of the molecules using the B3LYP, M06 and PBE1PBE methods with 3–21 g, 4–31 g, 6–311++g(2d,2p), cc-pvtz and cc-pvqz basis sets in the different combinations. Frontier molecular … |
| Anahtar Kelimeler |
| 1,3,4-Thidiazole | Antimicrobial activity | Computational chemistry | DFT | Pyrazine |
| Atıf Sayıları | |
| Google Scholar | 43 |
| Scopus | 6 |
| Dergi Adı | Journal of Molecular Structure |
| Yayıncı | Elsevier B.V. |
| Açık Erişim | Hayır |
| ISSN | 0022-2860 |
| E-ISSN | 1872-8014 |
| CiteScore | 8,0 |
| SJR | 0,628 |
| SNIP | 0,999 |