Dielectric effect on thermodynamic properties in vinblastine by DFT/Onsager modelling
Yazarlar (3)
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Islamic Azad University, Qom Branch, İran
Z. Varmaghani
Islamic Azad University, Science And Research Branch, İran
Islamic Azad University, Science And Research Branch, İran
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Physics and Chemistry of Liquids (Q4) | ||
| Dergi ISSN | 0031-9104 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 05-2011 |
| Cilt / Sayı / Sayfa | 49 / 3 / 318–336 | DOI | 10.1080/00319100903456121 |
| Makale Linki | http://dx.doi.org/10.1080/00319100903456121 | ||
| UAK Araştırma Alanları |
Fiziksel Kimya
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| Özet |
| We know that vinblastine, as one of the vinca alkaloids, has played a major role in cancer chemotherapy by inhibiting the polymerisation of tubulin into microtubules. We present an in-depth investigation of the structural, infrared (IR) spectra of vinblastine. The structure of vinblastine is theoretically investigated using the density functional theory and Hartree–Fock 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 characterised depending on the 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 (R 2). Thus, the goal of this article is to evaluate and quantify … |
| Anahtar Kelimeler |
| DFT | Intensity | SCRF | Thermodynamic properties | Vibrational frequency | Vinblastine |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 42 |
| Scopus | 91 |
| Google Scholar | 75 |