New 1,3,4-thiadiazole compounds including pyrazine moiety: Synthesis, structural properties and antimicrobial features
Yazarlar (7)
Prof. Dr. Mahmut GÜR Kastamonu Üniversitesi, Türkiye
Prof. Dr. Nesrin ŞENER Kastamonu Üniversitesi, Türkiye
Prof. Dr. Halit MUĞLU Kastamonu Üniversitesi, Türkiye
Prof. Dr. Muhammet Serdar ÇAVUŞ Kastamonu Üniversitesi, Türkiye
Doç. Dr. Osman Emre ÖZKAN Kastamonu Üniversitesi, Türkiye
Fatma Kandemirli Kastamonu Üniversitesi, Türkiye
Prof. Dr. İzzet ŞENER Kastamonu Üniversitesi, Türkiye
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