Reducing Toxicity of Therapeutic Materials

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This work explains how the size of a carbon nanotube (CNT), urea, and temperature would influence the insertion of Tretinoin into CNT (10, 7) and CNT (8, 5) under 270 and 310 K via molecular dynamics simulation. 0.9 mmol mL-1 and 2 mol L-1 urea are studied that are less and more than the normal range of blood urea content respectively. It is found that the encapsulation of Tretinoin could be ascribed to the flow of the waters via hydrophilic interactions and diameter of the nanotube. By increasing initial temperature in most of the cases heat capacity increases too. Moreover, the compared free energies by linear interaction energy approach indicate that the energy of the system decreases after the encapsulation. Finally, a striking phenomenon of inducing the drying of CNTs by high concentrations of urea observed and resulted in urea wires and encapsulation inhibition.

Reducing toxicity of therapeutic materials is the main aim of developing drug-delivery systems that is achieved using CNTs.1, 2 The intense interest in CNTs is due to the capability of adsorbing or conjugating with a wide variety of medicinal molecules and their unique chemical and physical properties and potential applications from high strength and low weight nanocomposite materials to electronic devices. Drug molecule penetrate through the cancer cell by CNT to treat diseases and thereby potentially reducing the drug side effects by preserving the non-targeted tissues of the patients.3-5 The
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