Synthesis characterization quantum chemical calculations andevaluation of antioxidant properties of 1, 3, 4 - thiadiazole derivativesincluding 2 - and 3 - methoxy cinnamic acids
Yazarlar (6)
Prof. Dr. Mahmut GÜR Kastamonu Üniversitesi, Türkiye
Prof. Dr. Halit MUĞLU Kastamonu Üniversitesi, Türkiye
Prof. Dr. Muhammet Serdar ÇAVUŞ Kastamonu Üniversitesi, Türkiye
Prof. Dr. Aytaç Güder Giresun Üniversitesi, Türkiye
Hakan S Sayıner Adiyaman Üniversitesi, Türkiye
Prof. Dr. Fatma Kandemirli Kastamonu Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure | ||
| Dergi ISSN | 0022-2860 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI | ||
| Makale Dili | İngilizce | Basım Tarihi | 04-2017 |
| Cilt / Sayı / Sayfa | 1134 / 1 / 40–50 | DOI | 10.1016/j.molstruc.2016.12.041 |
| Makale Linki | https://www.sciencedirect.com/science/article/pii/S0022286016313552 | ||
| Özet |
| A series of 1,3,4-thiadiazole derivatives including 2- and 3-methoxy cinnamic acids were synthesized, and their structures were elucidated by the UV, IR, 1H NMR, 13C NMR spectroscopies and elemental analysis. The UV and IR calculations of the molecules were performed by using B3LYP, HF and MP2 methods with selected 6-311++G(2d,2p), 6-311++G(3df,3pd) and cc-pvtz basis sets. Dipole moment, polarizability, chemical hardness/softness and electronegativity were also calculated and analyzed. Experimental FT-IR spectra and UV–Vis spectrum of the compounds were compared with theoretical data. Furthermore, antioxidant activities of the compounds were practised via different test methods such as 2,2-diphenyl-1-picryl-hydrazyl (DPPH[rad]), N,N-dimethyl-p-phenylenediamine (DMPD[rad]+), and 2,2′-azino-bis(3-ethylbenzthiazoline-6-sulfonic acid) (ABTS[rad]+) scavenging activity assays. When compared with standards (BHA-Butylated hydroxyanisole, RUT-Rutin, and TRO-Trolox), it was observed that especially XIII and XIV which include methoxy groups at the o- and m-positions, respectively, had effective activities. |
| Anahtar Kelimeler |
| 1,3,4-Thiadiazole | Antioxidant properties | Computational chemistry | Density functional theory | Methoxy-cinnamic acid | Radical scavenging activities |
Science Direct
Synthesis characterization quantum chemical calculations andevaluation of antioxidant properties of 1, 3, 4 - thiadiazole derivativesincluding 2 - and 3 - methoxy cinnamic acids
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Scopus | 54 |