Journal
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
Volume 42, Issue 9, Pages 2184-2189Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.physe.2010.04.018
Keywords
BN fullerene-like; Drug delivery; Amino acids; Ab initio calculations
Funding
- Islamic Azad University of Ghaemshahr
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We study interaction between B36N36 fullerene-like nanocage and glycine amino acid from the first principles. Binding energy is calculated and glycine binding to the pure C-60 fullerene is compared. We also analyze the electronic structure and charge Mulliken population for the energetically most favorable complexes. Our results indicate that glycine can form stable bindings with B36N36 nanocage via their carbonyl oxygen (O) active site while, the C-60 fullerene might be unable to form stable bindings to glycine amino acid via their active sites, which is consistence with recent experimental and theoretical investigations. Thus, we arrive at the prediction that the B36N36 nanocage can be implemented as a novel material for drug delivery applications. (C) 2010 Elsevier B.V. All rights reserved.
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