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Issue 26, 2011
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Adsorption of DNA/RNA nucleobases on hexagonal boron nitride sheet: an ab initio study

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Abstract

Our ab initio calculations indicate that the interaction of deoxyribonucleic/ribonucleic acid (DNA/RNA) nucleobases [guanine (G), adenine (A), thymine (T), cytosine (C), and uracil (U)] with the hexagonal boron nitride (h-BN) sheet, a polar but chemically inert surface, is governed by mutual polarization. Unlike the case of graphene, all nucleobases exhibit the same stacking arrangement on the h-BN sheet due to polarization effects: the anions (N and O atoms) of nucleobases prefer to stay on top of cations (B) of the substrate as far as possible, regardless of the biological properties of nucleobases. The adsorption energies, ranging from 0.5 eV to 0.69 eV, increase in the order of U, C, T, A and G, which can be attributed to different side groups or atoms of nucleobases. The fundamental nature of DNA/RNA nucleobases and h-BN sheet remains unchanged upon adsorption, suggesting that the h-BN sheet is a promising template for DNA/RNA-related research, such as self-assembly.

Graphical abstract: Adsorption of DNA/RNA nucleobases on hexagonal boron nitride sheet: an ab initio study

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Publication details

The article was received on 16 Mar 2011, accepted on 26 Apr 2011 and first published on 03 Jun 2011


Article type: Paper
DOI: 10.1039/C1CP20783K
Citation: Phys. Chem. Chem. Phys., 2011,13, 12225-12230
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    Adsorption of DNA/RNA nucleobases on hexagonal boron nitride sheet: an ab initio study

    Q. Lin, X. Zou, G. Zhou, R. Liu, J. Wu, J. Li and W. Duan, Phys. Chem. Chem. Phys., 2011, 13, 12225
    DOI: 10.1039/C1CP20783K

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