| Yazarlar |
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN
Kastamonu Üniversitesi, Türkiye |
| Özet |
| We know that vinblastine as one of the vinka alkaloids, has played a major role in cancer chemotherapy by inhibiting the polymerization of tubulin into microtubules. We present an in-depth investigation of the structural, infrared spectra of vinblastine. The structure of vinblastine are theoretically investigated using the density functional theory (DFT) and Hartree-Fock (HF) levels of theory with the standard 6-31G and 6-31G basis sets. The vibrational spectral data obtained from IR spectra are assigned modes based on the results of the theoretical calculations as intensity and frequency curves. The fundamental vibrational modes were characterized depending on their stability of vinblastine in different dielectric constants. Thermodynamic analysis of data demonstrates good correlation of vinblastine at various media by SCRF-Onsager model with linear coefficient (R2). Thus, the goal of the work here is to evaluate and quantify the molecular basis for vinblastine structure in variant position. |
| Anahtar Kelimeler |
| DFT | Intensity | SCRF | Thermodynamic properties | Vibrational frequency | Vinblastine |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SCOPUS dergilerinde yayımlanan tam makale |
| Dergi Adı | Moroccan Journal of Chemistry |
| Dergi ISSN | 2351-812X |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Makale Dili | İngilizce |
| Basım Tarihi | 01-2020 |
| Cilt No | 8 |
| Sayı | 2 |
| Sayfalar | 400 / 411 |
| Makale Linki | file:///C:/Users/smoll/Downloads/sara,+16604f.pdf |
