Theoretical Studies of Solvent Effects on Binding of Sn (CH3)2(N-acetyl-L-cysteinate) with Single-walled Carbon Nanotube
Yazarlar (3)
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran
A. Sobhanmanesh
Islamic Azad University, Science And Research Branch, İran
Islamic Azad University, Science And Research Branch, İran
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Islamic Azad University, Qom Branch, İran
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Fullerenes Nanotubes and Carbon Nanostructures (Q3) | ||
| Dergi ISSN | 1536-383X Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2013 |
| Cilt / Sayı / Sayfa | 21 / 1 / 47–63 | DOI | 10.1080/1536383X.2011.574325 |
| Makale Linki | http://dx.doi.org/10.1080/1536383x.2011.574325 | ||
| UAK Araştırma Alanları |
Fiziksel Kimya
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| Özet |
| The potential of nanotechnology to revolutionise medicine in particular seems endless, and one significant application of this technology is the use of carbon nanotubes for the targeted delivery of drug molecules. Sn(CH3)2(N-acetyl-L-cysteinate) is a drug that has been proposed as a therapeutic against the human hepatocarcinoma HCC Hep G2 cells. In our model, (N-acetyl-Lcysteinato-O,S) dimethyl tin(IV) (Sn(CH3)2(N-acetyl-L-cysteinate)) was binded to carbon nanotube. Quantum chemical ab initio calculations at HF/ (LanL2DZ+STO-3G), and HF/ (LanL2DZ+6-31G) levels in gas phase and solution have been carried out to calculate the optimized geometry, energies, dipole moments and thermochemical analysis of Sn(CH3)2(N-acetyl-L-cysteinate)-CNT complex. Results from frequency calculation (large negative values of the ΔG and high positive values of ΔS) confirmed the structural stability of the Sn(CH3)2 … |
| Anahtar Kelimeler |
| drug | Single-walled carbon nanotube (SWNT) | Sn(CH 3) 2(N-acetyl-L-cysteinate) | solvent effect |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 24 |
| Scopus | 90 |
| Google Scholar | 57 |