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

Autor:	Jaime Castillo-León, Noemi Rozlosnik, Tomas Rindzevicius, Fernando Martínez, Winnie Edith Svendsen, John J. Castillo, Anja Boisen, Ciro E. Rozo
Rok vydání:	2013
Předmět:	Chemistry Hydrogen bond Selective chemistry of single-walled nanotubes General Physics and Astronomy chemistry.chemical_element Carbon nanotube Combinatorial chemistry law.invention Covalent bond law Moiety Organic chemistry Molecular orbital Physical and Theoretical Chemistry Carbon Conjugate
Zdroj:	Chemical Physics Letters. 564:60-64
ISSN:	0009-2614
DOI:	10.1016/j.cplett.2013.02.014
Popis:	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 N-layered 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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::2523c802109af8c4189073e75575d288 https://doi.org/10.1016/j.cplett.2013.02.014 Zobrazit plný text záznamu Full Text from ScienceDirect