Investigation of nuclear magnetic resonance (NMR) shielding tensors of B<inf>5</inf>N<inf>0</inf>C<inf>8</inf>H<inf>18</inf> cluster as a novel material for nano drug delivery

MONAJJEMI, Majıd; Aghaie, H.; Ardalan, P.; MOLLAAMIN, Fatemeh

doi:10.5897/IJPS11.760

Investigation of nuclear magnetic resonance (NMR) shielding tensors of B5N0C8H18 cluster as a novel material for nano drug delivery

Yazarlar (4)

Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran

H. Aghaie Islamic Azad University, Science And Research Branch, İran

P. Ardalan Islamic Azad University, Science And Research Branch, İran

Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Islamic Azad University, Qom Branch, İran

Makale Türü	Özgün Makale (Uluslararası alan indekslerindeki dergilerde yayınlanan tam makale)
Dergi Adı	International Journal of Physical Sciences
Dergi ISSN	1992-1950
Dergi Tarandığı Indeksler
Makale Dili	İngilizce	Basım Tarihi	01-2011
Cilt / Sayı / Sayfa	6 / 33 / 7490–7504	DOI	10.5897/IJPS11.760
Makale Linki	http://www.scopus.com/inward/record.url?eid=2-s2.0-83655192396&partnerID=MN8TOARS

Özet

The interaction of the penicillin molecule inside of the B5N5C8H18 have been investigated with density functional theory using HF and B3LYP method and 6-31G, 6-31G** and 6-311G** basis sets. We also analyze the electronic structure and charge Mulliken population for the energetically most favorable complexes. Our results indicate penicillin can form stable bindings with B5N5C8H18 via the nitrogen active site. Also the NMR shielding tensors have been investigated. The same study performed for cefalexin and we found that cefalexin can form stable bindings with B5N5C8H18 via the nitrogen active site. Thus, we arrive at the prediction that the B5N5C8H18 can be implemented as a novel material for drug delivery applications. © 2011 Academic Journals.

Anahtar Kelimeler

B5N5C8H18 | Cefalexin | DFT | Drug delivery | NMR

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Atıf Sayıları
Scopus	1

Investigation of nuclear magnetic resonance (NMR) shielding tensors of B5N0C8H18 cluster as a novel material for nano drug delivery

Investigation of nuclear magnetic resonance (NMR) shielding tensors of B5N0C8H18 cluster as a novel material for nano drug delivery

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