Insights on α-Glucose Biosensors/Carriers Based on Boron-Nitride Nanomaterials from an Atomistic and Electronic Point of View

The interaction of alpha-glucose with a BN-nanosheet, BN-nanotube, and BN-fullerene, was analyzed from an atomistic and electronic point of view, to evaluate such nanostructures as possible carriers and/or biosensors of the alpha-glucose molecule. Adsorption energies are in the range of physisorption (-0.79 eV to -0.91 eV) for the BN-nanosheet and -nanotube, and chemisorption (-2.24 eV to -2.35 eV), for the BN-fullerene. All systems, exhibit semiconductor-like behavior and great stability according to |LUMO-HOMO| energy gap [Gap(LH)] and chemical potential values, respectively. For the BN-nanosheet and -nanotube, the stabilization of the complexes is through hydrogen bonds, while for BN-fullerene is through a covalent bond and charge transfer. Furthermore, the BN-fullerene is able to dissociate the alpha-glucose molecule, which could help to decomposer such a compound, and be used for biological applications. The data taking into consideration solvent effects have no significant impact with respect to gas phase, except in the dipole moment (M-d) where we noticed an increase up to similar to 45 %. Our results suggest that BN-nanosheet and -nanotube, may act as biosensors, while BN-fullerene, may serve as a carrier or degrader of the alpha-glucose molecule.

Automated summary

The interaction between alpha-glucose and BN nanosheet, BN nanotube, and BN fullerene was analyzed in terms of atomistic and electronic properties. The nanostructures showed potential as carriers, biosensors, or degraders of the alpha-glucose molecule for biological applications, with different adsorption energies and stabilization mechanisms observed.