Analyzing the effect of adsorption of Flavin Mononucleotide biomolecule on the natural frequency of biocompatible boron-nitride nanotubes

Abstract

In this study, natural frequency of single- and double-walled boron-nitride nanotubes under physical adsorption of Flavin Mononucleotide molecules are investigated employing the molecular dynamics simulations in vacuum and aqueous environments. The effects of different boundary conditions and geometrical parameters on the natural frequency have been explored. According to the results, the physical adsorption of polymers reduces the natural frequency of boron-nitride nanotubes which is considerable in the case of boron-nitride nanotubes with fully clamped boundary conditions. Moreover, it has been observed that the frequency shift for clamped-free boundary condition in an aqueous environment due to change in mode-shape which is the result of van der Waals interaction with environment, is positive. Also, it is observed that frequency shift of single-walled boron-nitride nanotubes with smaller aspect ratios is higher than that of single-walled boron-nitride nanotubes with higher aspect ratios and double-walled boron-nitride nanotubes. Considering the aqueous environments, frequency shift considerably increases, whereas the slope of variation with the weight percentage decreases. The result of this study can be used as the benchmark for further studies in nanoelectromechanical systems to design more efficient molecular recognition nanobiosensors in aqueous environments.