Carbon Nanotube as a Deliver for Sulforaphane in Broccoli Vegetable in Point of Nuclear Magnetic Resonance and Natural Bond Orbital Specifications
Yazarlar (2)
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran
M. Ahmadianarog Islamic Azad University, Science And Research Branch, İran
| Makale Türü | Özgün Makale (ESCI dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Computational and Theoretical Nanoscience | ||
| Dergi ISSN | 1546-1955 Wos Dergi Scopus Dergi | ||
| Makale Dili | İngilizce | Basım Tarihi | 06-2014 |
| Cilt / Sayı / Sayfa | 11 / 6 / 1465–1471 | DOI | 10.1166/jctn.2014.3519 |
| Makale Linki | http://www.scopus.com/inward/record.url?eid=2-s2.0-84896973906&partnerID=MN8TOARS | ||
| Özet |
| Carbon nanotubes have the occasion to act with effective structures that have high drug loading capacities drug delivery phenomena that is taking advantage of nanotube technology. Theoretical methods have been used for investigation of calculation of physical and chemical interaction between single-walled carbon nanotubes (SWCNT) and solforaphane and several similar compounds. Isothiocyanates, such as sulforaphane (SFN) formed in Broccoli vegetable family, are a candidate class of cancer preventive compounds. In this work, the CNT-SFN complex and several similar compounds are tested by nuclear magnetic resonance (NMR) and natural bond orbital (NBO) calculation by using HF, B3LYP, BLYP and B3PW91 methods with 6-31G 6-31G,6-31G* and 6-31+G basis sets by Gaussian 98 program. Atomic charges, energy (ΔE), chemical shift anisotropy (δ), asymmetry parameter (η), chemical shift anisotropy (Δσ) parameters have been gained via GIAO magnetic shielding approximation to analyze the electronic structural effect on CNT-SFN as an anti-cancer in a number of diverse species. Copyright © 2014 American Scientific Publishers. |
| Anahtar Kelimeler |
| Carbon Nanotube | CNT-SFN | Drug Delivery | NBO | NMR | Sulforaphane |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 35 |
| Scopus | 77 |