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Akademisyenler > Fatemeh MOLLAAMIN > Yayın Detayı

Investigation of nuclear magnetic resonance (NMR) shielding tensors of B5N0C8H18 cluster as a novel material for nano drug delivery    
Yazarlar (1)
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Dr. Öğr. Üyesi Fatemeh MOLLAAMIN
Kastamonu Üniversitesi, Türkiye
Devamını Göster
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
Makale Türü Özgün Makale
Makale Alt Türü SCOPUS dergilerinde yayımlanan tam makale
Dergi Adı International Journal of Physical Sciences
Dergi ISSN 1992-1950
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce
Basım Tarihi 12-2011
Cilt No 6
Sayı 33
Sayfalar 7490 / 7504
Doi Numarası 10.5897/IJPS11.760
Makale Linki https://academicjournals.org/journal/IJPS/article-abstract/F6F272E19212
Atıf Sayıları
SCOPUS 1
Investigation of nuclear magnetic resonance (NMR) shielding tensors of B5N0C8H18 cluster as a novel material for nano drug delivery

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