Castillo, John J.10; Rozo, Ciro E.6; Castillo-León, Jaime1; Rindzevicius, Tomas7; Svendsen, Winnie Edith8; Rozlosnik, Noemi9; Boisen, Anja7; O, Fernando Martínez10
1 Department of Micro- and Nanotechnology, Technical University of Denmark2 Nanoprobes, Department of Micro- and Nanotechnology, Technical University of Denmark3 Nano Bio Integrated Systems, Department of Micro- and Nanotechnology, Technical University of Denmark4 Polymer Microsystems for Medical Diagnostics, Department of Micro- and Nanotechnology, Technical University of Denmark5 Universidad Industrial de Santander6 Universidad Santo Tomas7 Center for Intelligent Drug Delivery and Sensing Using Microcontainers and Nanomechanics, Center, Technical University of Denmark8 Copenhagen Center for Health Technology, Center, Technical University of Denmark9 Risø National Laboratory for Sustainable Energy, Technical University of Denmark10 Universidad Industrial de Santander
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.