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        Adsorption and Self-Assembly of Anticancer Antibiotic Doxorubicin on Single-Walled Carbon Nanotubes

        Andres Rodríguez-Galvan,Oscar Amelines-Sarria,Margarita Rivera,Maria del Pilar Carreon-Castro,Vladimir A. Basiuk 성균관대학교(자연과학캠퍼스) 성균나노과학기술원 2016 NANO Vol.11 No.4

        We performed a combined experimental and theoretical study of the conjugates obtained from single-walled carbon nanotubes and anticancer antibiotic doxorubicin (DOX). Atomic force microscopy (AFM) imaging at lower magnification revealed, extended regions of single-walled carbon nanotubes (SWNTS) fully covered with DOX adsorbed molecules, along with some bare parts without the adsorbed drug, thus suggesting that the DOX adsorption is a cooperative process. Ambient atmosphere scanning tunneling microscopy (STM) at higher resolutions found that individual SWNTs-DOX conjugates exhibit a periodic texture, whose most important morphological feature is alternating depressions and protrusions along the nanotube. Based on the images and profiles measured, we suggest that doxorubicin molecules self-assemble on SWNTs sidewall according to a helical pattern, in which their tetracyclic fragments are turned with respect to the nanotube axis by about 50°. To provide an additional insight into the structure of noncovalent SWNTs-DOX conjugates, we employed density functional theory (DFT) calculations with three long-range corrected functionals: M05-2X, wB97X-D and LCBLYP, of which M05-2X yielded the most realistic results in terms of geometries and energies.

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