Exploring the interaction between the boron nitride nanotube and biological molecules

Chih Kai Yang

doi:10.1016/j.cpc.2010.07.040

Exploring the interaction between the boron nitride nanotube and biological molecules

Chih Kai Yang^*

^*Corresponding author for this work

National Chengchi University

Research output: Contribution to journal › Journal Article › peer-review

47 Scopus citations

Abstract

We study the interaction between boron nitride nanotubes (BNNTs) and a variety of biological molecules using density functional theory. Some amino acids and nitrogenous bases that are parts of nucleotides are inserted inside the cavity of the BNNT and the overall electronic structure calculated. We conclude that there is no bonding or chemical adsorption between the wide band-gap BNNT and the biological molecules considered. This suggests that BNNTs can be used as a smooth nanoscale channel for transporting biological molecules.

Original language	English
Pages (from-to)	39-42
Number of pages	4
Journal	Computer Physics Communications
Volume	182
Issue number	1
DOIs	https://doi.org/10.1016/j.cpc.2010.07.040
State	Published - 01 2011
Externally published	Yes

Keywords

Biological molecules
Boron nitride nanotubes
Electronic structure
Encapsulation

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10.1016/j.cpc.2010.07.040

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abstract = "We study the interaction between boron nitride nanotubes (BNNTs) and a variety of biological molecules using density functional theory. Some amino acids and nitrogenous bases that are parts of nucleotides are inserted inside the cavity of the BNNT and the overall electronic structure calculated. We conclude that there is no bonding or chemical adsorption between the wide band-gap BNNT and the biological molecules considered. This suggests that BNNTs can be used as a smooth nanoscale channel for transporting biological molecules.",

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KW - Electronic structure

KW - Encapsulation

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Exploring the interaction between the boron nitride nanotube and biological molecules

Abstract

Keywords

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