Computational and experimental studies of the interaction between single-walled carbon nanotubes and folic acid

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Computational and experimental studies of the interaction between single-walled carbon nanotubes and folic acid.pdf (602.1 KB)

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2013-02-18

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http://hdl.handle.net/11634/21042

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https://doi.org/10.1016/j.cplett.2013.02.014

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http://unidadinvestigacion.usta.edu.co

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This Letter involved the preparation of a conjugate between single-walled carbon nanotubes and folic acid that was obtained without covalent chemical functionalization using a simple ‘one pot’ synthesis method. Subsequently, the conjugate was investigated by a computational hybrid method: our own Nlayered Integrated Molecular Orbital and Molecular Mechanics (B3LYP(6–31G(d):UFF)). The results confirmed that the interaction occurred via hydrogen bonding between protons of the glutamic moiety from folic acid and p electrons from the carbon nanotubes. The single-walled carbon nanotube-folic acid conjugate presented herein is believed to lead the way to new potential applications as carbon nanotubebased drug delivery systems.

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Atribución-NoComercial-CompartirIgual 2.5 Colombia
http://creativecommons.org/licenses/by-nc-sa/2.5/co/
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