| 1. |
- Mukhopadhyay, Saikat, et al.
(författare)
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Sensitivity of Boron Nitride Nanotubes toward Biomolecules of Different Polarities
- 2011
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Ingår i: The Journal of Physical Chemistry Letters. - : American Chemical Society (ACS). - 1948-7185. ; 2:19, s. 2442-2447
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Tidskriftsartikel (refereegranskat)abstract
- The effect of molecular polarity on the interaction between a boron nitride nanotube (BNNT) and amino acids is investigated with density functional theory. Three representative amino acids, namely, tryptophane (Trp), a nonpolar aromatic amino acid, and asparatic acid (Asp) and argenine (Arg), both polar amino acids are considered for their interactions with BNNT. The polar molecules, Asp and Arg, exhibit relatively stronger binding with the tubular surface of BNNT. The binding between the polar amino acid molecules and BNNT is accompanied by a charge transfer, suggesting that stabilization of the bioconjugated complex is mainly governed by electrostatic interactions. The results show modulation of the BNNT band gap by Trp. Interestingly, no change in band gap of BNNT is seen for the polar molecules Asp and Arg. The predicted higher sensitivity of BNNTs compared to carbon nanotubes (CNTs) toward amino acid polarity suggests BNNTs to be a better substrate for protein immobilization than CNTs.
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| 2. |
- Mukhopadhyay, Saikat, et al.
(författare)
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Theoretical study of physisorption of nucleobases on boron nitride nanotubes : a new class of hybrid nano-biomaterials
- 2010
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Ingår i: Nanotechnology. - : IOP Publishing. - 0957-4484 .- 1361-6528. ; 21:16, s. 165703-
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Tidskriftsartikel (refereegranskat)abstract
- We investigate the adsorption of the nucleic acid bases-adenine (A), guanine (G), cytosine (C), thymine (T) and uracil (U)-on the outer wall of a high curvature semiconducting single-walled boron nitride nanotube (BNNT) by first-principles density functional theory calculations. The calculated binding energy shows the order: G > A approximate to C approximate to T approximate to U, implying that the interaction strength of the high curvature BNNT with the nucleobases, G being an exception, is nearly the same. A higher binding energy for the G-BNNT conjugate appears to result from hybridization of the molecular orbitals of G and the BNNT. A smaller energy gap predicted for the G-BNNT conjugate relative to that of the pristine BNNT may be useful in the application of this class of biofunctional materials to the design of next-generation sensing devices.
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