Temperature and Solvent Influence of MWNT (M = 1,2,3) for Nano Drug Delivery and mRNA Binding: A Normal Mode Analysis
Yazarlar (7)
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Islamic Azad University, Qom Branch, İran
Alireza Ilkhani
Islamic Azad University, Yazd Branch, İran
Islamic Azad University, Yazd Branch, İran
Shaker Ardakani
Islamic Azad University, Yazd Branch, İran
Islamic Azad University, Yazd Branch, İran
Afsaneh Faridchehr
Islamic Azad University, Science And Research Branch, İran
Islamic Azad University, Science And Research Branch, İran
Behnaz Bonsakhteh
Islamic Azad University, Science And Research Branch, İran
Islamic Azad University, Science And Research Branch, İran
Sogand Tohidi
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 | Journal of Computational and Theoretical Nanoscience (Q2) | ||
| Dergi ISSN | 1546-1955 Dergi Bilgileri (2015) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 09-2015 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-09-2015 |
| Cilt / Sayı / Sayfa | 12 / 9 / 2448–2457 | DOI | 10.1166/jctn.2015.4046 |
| Makale Linki | http://dx.doi.org/10.1166/jctn.2015.4046 | ||
| UAK Araştırma Alanları |
Fiziksel Kimya
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| Özet |
| In this research, we have studied of solvent effects on the relative energies and dipole moment values and the structural properties of water, methanol and ethanol surrounding single-walled and multi walled carbon nanotube, by using QM/MM simulation, those calculations have carried out with the Gaussian and Hyper Chem package. In this study we investigated the polar solvents effects on SWCNT within the Onsager self-consistent reaction field (SCRF) model using a Hartree-Fock method and the temperature effect on the stability of SWCNT in various. Because some of the Physicochemical parameters related to structural properties of SWCNT, we used different force fields to determine energy and other types of geometrical parameters, on the particular SWCNT. Because of the differences among force fields, the energy of a molecule calculated using two different force fields will not be the same. In this study, the … |
| Anahtar Kelimeler |
| DFT | NMR | SWCNT | Thermodynamic |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 55 |
| Scopus | 6 |
| Google Scholar | 2 |