MATHEMATICAL MODEL ARISING FROM THE ENCAPSULATION OF PHENYLALANINE AMINO ACID INSIDE SINGLE-WALLED CARBON NANOTUBES

Abstract

The combination between nanotechnology and biological studies has generated considerable interest in many potential applications, especially mechanisms of encapsulation and reactivity. The possibility of utilizing carbon nanodevices (CNDs) as transporters in various medical applications has led to a huge number of studies involving the realistic mechanism of geometries and the interaction between nanodevices and drugs, such as amino acids. Due to their huge potential, maximum loading and low solubility, new techniques have been developed for drug delivery system. The current work aims to investigate the mechanism of encapsulation of Phenylalanine (PHLNN) amino acid inside the single-walled carbon nanotubes (SWCNTs) varying in radii r. In our proposed model, the PHLNN is assumed to have two possible structures. Firstly, by using a discrete approach the PHLNN molecule can be splited into two parts: as an imidazole ring and a group of atoms as a spherical shell. Secondly, it can be considered as a cylindrical tube by using the continuum approximation. Here, we specify a certain shape for each of interacting molecules and also calculate the magnitude of interaction energy arising from PHLNN-SWCNTs interactions varying in radii r. Critical radius plays a crucial r in determining the acceptance and rejection of proposed amino acid inside an SWCNT. Particularly with respect to the financial aspect, carbon nanoparticle derivatives can be probably used as carriers and sensors conjugated with different drugs and amino acids because of their low manufacturing cost, ease of manipulation and synthesis as well as ability to maximum loading