Nano Theoretical Study of a C16 Cluster as a Novel Material for Vitamin C Carrier
Yazarlar (3)
T. Ardalan Islamic Azad University, Science And Research Branch, İran
P. Ardalan Islamic Azad University, Science And Research Branch, İran
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran
Makale Türü Özgün Makale (ESCI dergilerinde yayınlanan tam makale)
Dergi Adı Fullerenes Nanotubes and Carbon Nanostructures
Dergi ISSN 1536-383X Wos Dergi Scopus Dergi
Makale Dili İngilizce Basım Tarihi 06-2014
Cilt / Sayı / Sayfa 22 / 8 / 687–708 DOI 10.1080/1536383X.2012.717561
Makale Linki http://www.scopus.com/inward/record.url?eid=2-s2.0-84896772297&partnerID=MN8TOARS
Özet
The physicochemical properties of a novel carbon cluster (C16) and C16 beside vitamin C have been evaluated using Density Functional Theory (DFT) calculation. NMR properties are calculated by using density functional method (B3LYP) with 6-31G, 6-311G* and cc-pvdz as the basis sets. Also natural bond orbital (NBO) and thermodynamic analysis has been performed for C16 cluster and C16 beside vitamin C. Our results indicate that Vitamin C can form stable bindings with C16 cluster via oxygen (O) active site. Thus, we arrive at the prediction that the C16 nanocluster can be implemented as a novel material for vitamin C carrier applications. © 2014 Copyright Taylor & Francis Group, LLC.
Anahtar Kelimeler
C16 cluster | CNT | DFT | NBO | vitamin C
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
Web of Science 45
Scopus 95
Nano Theoretical Study of a C16 Cluster as a Novel Material for Vitamin C Carrier

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  • Kastamonu Üniversitesi Rektörlüğü, Kuzeykent Kampüsü, Merkez/Kastamonu
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