Theoretical model of carbon nanotubes as delivery to fluorouracil (anticancer)

Abstract

The quantum modeling interaction propertiesof fluorouracil radicals on thesingle walled carbon nanotubes surfaceis researched via MNDO/d calculations.We have studied the effect of diameter,length, position and rotational characteristicsof CNT on binding fluorouracil.Our results suggest that the binding energyis lower as the CNT diameter increases,while as the CNT length increasesthe binding energy initially increases andthen slightly increases.