The interaction of Glu (Glutamic acid), Lys (Lysine), Gly (Glycine) and Ser (Serine) amino acids withdifferent polarities and (9, 0) zigzag single-wall boron nitride nanotubes (BNNTs) with various lengthsin the presence and absence of external electric field (EF) in gas and solvent phases, are studied usingdensity functional theory. It is found that interaction of Glu, Lys, Gly and Ser amino acids with BNNTsin both phases is energetically favorable. From solvation energy calculations, it can be seen that theBNNTs/amino acid complex dissolution in water is spontaneous. The adsorption energies and quantummolecular descriptors changed in the presence of external EF. Therefore, the study of BNNTs/amino acidcomplex under influence of external electric field is very important in proposing or designing new drugdelivery systems in the presence of external EF. Results indicate that Glu, Lys, Gly and Ser amino acidscan be adsorbed considerably on the BNNTs in the existence of external electric field. Our results showedthat the BNNTs can act as a suitable drug delivery vehicle of Glu, Lys, Gly and Ser amino acids withinbiological systems and strength of adsorption and rate of drug release can be controlled by the externalEF.
