| Yazarlar |
Emine TANIŞ
Kırşehir Ahi Evran Üniversitesi, Türkiye |
Nevin Çankaya
Uşak Üniversitesi, Türkiye |
Serap YALÇIN AZARKAN
Kırşehir Ahi Evran Üniversitesi, Türkiye |
| Özet |
| In this study 2-(4-methoxyphenylamino)-2-oxoethyl methacrylate (MPAEMA) has been synthesized and characterized experimentally (FTIR, NMR). Theoretically, physical, electronic and vibrational properties of MPAEMA molecule have been investigated using density functional theory (DFT) calculations at B3LYP/6-311 + + G(d,p) basis set. Bond distance, FTIR spectrum, NMR spectra and vibrational frequencies have been carried out. The calculated FTIR and NMR spectra of the headline molecule from the DFT have been compared with the measured ones, and good results have been obtained. UV spectrum characteristics and the electronic properties, like frontier orbitals, and band gap energy of MPAEMA have also been recorded by time-dependent (TD-DFT) method based on optimized structure with different solvent. The experimental results have been compared with theoretical values. Both experimental and theoretical methods have shown that the compound has successfully been synthesized. Cytotoxicity of MPAEMA has been investigated by XTT cell proliferation assay. IC50 values of MPAEMA have been identified as 1.8 mM on HeLa cell line. |
| Anahtar Kelimeler |
| 2-(4-methoxyphenylamino)-2-oxoethyl methacrylate (MPAEMA) | Density functional theory | Time-dependent approach | HeLa cell line | Antiproliferative activity |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | CHINESE JOURNAL OF PHYSICS |
| Dergi ISSN | 0577-9073 |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Makale Dili | İngilizce |
| Basım Tarihi | 02-2019 |
| Cilt No | 57 |
| Sayfalar | 348 / 361 |
| Doi Numarası | 10.1016/j.cjph.2018.11.006 |
| Atıf Sayıları | |
| WoS | 7 |
| Google Scholar | 7 |
