Journal
COMPTES RENDUS CHIMIE
Volume 17, Issue 10, Pages 985-993Publisher
ACAD SCIENCES
DOI: 10.1016/j.crci.2013.11.012
Keywords
Vitamin; Density functional theory; LDA/DNP; Boron nitride nanotube (BNNT); Drug delivery
Categories
Ask authors/readers for more resources
In this work, based on the density functional theory, the interaction of vitamins A, B1, C, B3 and D with (5,5) armchair and (9,0) zigzag single-walled boron nitride nanotubes (BNNTs) are studied. It is found that binding of vitamins A, B1, C, B3 and D with (9, 0) and (5, 5) BNNTs is thermodynamically favorable. Calculated solvation energies show that the solubility of functionalized (9, 0) BNNTs is higher than that of functionalized (5, 5) BNNT, and both dissolutions in water are spontaneous. The results showed that BNNTs can act as a suitable drug delivery vehicle for vitamins A, B1, C, B3 and D within biological systems. This study may provide a new insight into the development of the functionalized boron nitride nanotubes as drug delivery systems for virtual applications. (C) 2013 Academie des sciences. Published by Elsevier Masson SAS. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available