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Possibility of a magnetic [BN fullerene:B6 cluster] nanocomposite as a vehicle for the delivery of dapsone

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Abstract

Functionalization of a boron nitride fullerene (BNF), having homo-nuclear nitrogen bonds, with a magnetic octahedral boron cluster (B6) is addressed in this work by means of density functional theory. Adsorption of the antibiotic dapsone molecule on the magnetic [BNF:B6] nanocomposite is also studied. There is a geometric transition of the B6 cluster, from the octahedral to pyramidal pentagonal form, when it is adsorbed on the BN fullerene. The adsorption energy (−8.52 eV) reveals a strong interaction between them. The [BNF:B6] nanocomposite exhibits electronic behavior like a conductor, intrinsic magnetism (1.0 μB), high polarity, and low chemical reactivity, suggesting that this functionalized fullerene is a good candidate for use as a nano-vehicle for drug delivery. Further, these quantum descriptors remain invariant when such magnetic systems ([BN] fullerene and [BNF:B6] nanocomposite) interact with a dapsone molecule. Additionally, low chemisorption (Ead = −0.71 and −0.75 eV, respectively) is achieved; therefore, they have practically the same technological applications as the pristine cases.

Graphical abstract: Possibility of a magnetic [BN fullerene:B6 cluster]− nanocomposite as a vehicle for the delivery of dapsone

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Publication details

The article was received on 07 Apr 2017, accepted on 29 Jun 2017 and first published on 12 Jul 2017


Article type: Paper
DOI: 10.1039/C7NJ01133D
Citation: New J. Chem., 2017, Advance Article
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    Possibility of a magnetic [BN fullerene:B6 cluster] nanocomposite as a vehicle for the delivery of dapsone

    J. Cano Ordaz, E. Chigo Anota, M. Salazar Villanueva and M. Castro, New J. Chem., 2017, Advance Article , DOI: 10.1039/C7NJ01133D

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