Abstract

ALA-NBER, Mohanned J  and  AL-MASOUDI, Najim A.. THEORETICAL MODEL OF CARBON NANOTUBES AS DELIVERY TO FLUOROURACIL (Anticancer) . Rev.Colomb.Quim. [online]. 2012, vol.41, n.2, pp.299-310. ISSN 0120-2804.

The quantum modeling interaction properties of fluorouracil radicals on the single walled carbon nanotubes surface is researched via MNDO/d calculations. We have studied the effect of diameter, length, position and rotational characteristics of CNT on binding fluorouracil. Our results suggest that the binding energy is lower as the CNT diameter increases, while as the CNT length increases the binding energy initially increases and then slightly increases.

Keywords : anticancer; drug delivery; CNT; fluorouracil; semi-empirical; binding energy.

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