TY - JOUR
T1 - Computational and experimental studies of the interaction between single-walled carbon nanotubes and folic acid
AU - Castillo, John J.
AU - Rozo, Ciro E.
AU - Castillo-León, Jaime
AU - Rindzevicius, Tomas
AU - Svendsen, Winnie Edith
AU - Rozlosnik, Noemi
AU - Boisen, Anja
AU - O, Fernando Martínez
PY - 2013
Y1 - 2013
N2 - This work 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 π 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 nanotube-based drug delivery systems.
AB - This work 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 π 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 nanotube-based drug delivery systems.
U2 - 10.1016/j.cplett.2013.02.014
DO - 10.1016/j.cplett.2013.02.014
M3 - Journal article
SN - 0009-2614
VL - 564
SP - 60
EP - 64
JO - Chemical Physics Letters
JF - Chemical Physics Letters
ER -