Encapsulation of L-Histidine amino acid inside single-walled carbon nanotubes
Carbon nanotubes have attracted considerable interest for their use as carriers of drugs across biological barriers. In this work, we investigate the encapsulation of L-Histidine amino acid inside a single-walled carbon nanotube, and determine the resultant interaction energy for various sizes of the nanotubes. In our model, the L-Histidine amino acid is accounted for in four parts; the inner ring group, the half outer group, the linear part and the cylinder group, all interacting with a single-walled carbon nanotube. We calculate the acceptance and suction energies which depend on the radius r of the carbon nanotube and the orientation angle Ø that the amino acid makes with the central axis of the nanotube. Our results indicate the acceptance of the L-Histidine amino acid into carbon nanotubes of r >3.7 Å, which is in good agreement with other recent studies.
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