Nano Theoretical Study of a C<sub>16</sub> Cluster as a Novel Material for Vitamin C Carrier

Ardalan, T.; Ardalan, P.; MONAJJEMI, Majıd

doi:10.1080/1536383X.2012.717561

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 (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı	Fullerenes Nanotubes and Carbon Nanostructures (Q3)
Dergi ISSN	1536-383X Dergi Bilgileri (2014)
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
UAK Araştırma Alanları

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	46
Scopus	96

Nano Theoretical Study of a C₁₆ Cluster as a Novel Material for Vitamin C Carrier

Dergi Adı	FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES
Kısa Adı	FULLER NANOTUB CAR N
Yayıncı	TAYLOR & FRANCIS INC
Açık Erişim	Hayır
ISSN	1536-383X
E-ISSN	1536-4046
Wos Quartile	Q3
Scopus Quartile	Q3
Tarandığı Indeksler	SCIE , Scopus
WoS Kategoriler	CHEMISTRY, PHYSICAL \| MATERIALS SCIENCE, MULTIDISCIPLINARY \| NANOSCIENCE & NANOTECHNOLOGY \| PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Scopus Kategoriler	ATOMIC AND MOLECULAR PHYSICS, AND OPTICS \| MATERIALS SCIENCE (MISCELLANEOUS) \| NANOSCIENCE AND NANOTECHNOLOGY \| ORGANIC CHEMISTRY \| PHYSICAL AND THEORETICAL CHEMISTRY

Nano Theoretical Study of a C16 Cluster as a Novel Material for Vitamin C Carrier

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Nano Theoretical Study of a C₁₆ Cluster as a Novel Material for Vitamin C Carrier