Yazarlar |
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN
Kastamonu Üniversitesi, Türkiye |
Özet |
In this study the interaction of methamphetamine inside of carbon Nano tube (CNT and MWNT) has been investigated. NMR shielding tensors at DFT and UHF levels have been computed in the gas phase. Analyses and discussion of methamphetamine into the nanotube carbon in different distances and temperatures have been performed and the energy potential of these molecules has been obtained. We have realized that the methamphetamine complexes can be transited (or diffused) through a nanotube (based on diameters of some zigzag, armchair and chiral nanotubes), with a simple mechanism towards the cytoplasm of brain cell membrane. The mechanism of channel membrane has investigated for other physical properties such as solvent effect. |
Anahtar Kelimeler |
Carbon nano tube (CNT) | Gas phases | Methamphetamine | NMR shielding |
Makale Türü | Özgün Makale |
Makale Alt Türü | SCOPUS dergilerinde yayımlanan tam makale |
Dergi Adı | Journal of Computational and Theoretical Nanoscience |
Dergi ISSN | 1546-1955 |
Dergi Tarandığı Indeksler | SCI-Expanded |
Makale Dili | İngilizce |
Basım Tarihi | 11-2015 |
Cilt No | 12 |
Sayı | 11 |
Sayfalar | 4158 / 4165 |
Doi Numarası | 10.1166/jctn.2015.4331 |
Makale Linki | http://dx.doi.org/10.1166/jctn.2015.4331 |
Atıf Sayıları | |
SCOPUS | 1 |