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

John J. Castillo; Ciro E. Rozo; Jaime Castillo-León; Tomas Rindzevicius; Winnie E. Svendsen; Noemi Rozlosnik; Anja Boisen; Fernando Martínez

doi:10.1016/j.cplett.2013.02.014

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

John J. Castillo, Ciro E. Rozo, Jaime Castillo-León, Tomas Rindzevicius, Winnie E. Svendsen, Noemi Rozlosnik, Anja Boisen, Fernando Martínez

Research output: Articles / Notes › Scientific Article › peer-review

14 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	60-64
Number of pages	5
Journal	Chemical Physics Letters
Volume	564
DOIs	https://doi.org/10.1016/j.cplett.2013.02.014
State	Published - 28 Mar 2013
Externally published	Yes

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10.1016/j.cplett.2013.02.014

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title = "Computational and experimental studies of the interaction between single-walled carbon nanotubes and folic acid",

abstract = "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.",

author = "Castillo, {John J.} and Rozo, {Ciro E.} and Jaime Castillo-Le{\'o}n and Tomas Rindzevicius and Svendsen, {Winnie E.} and Noemi Rozlosnik and Anja Boisen and Fernando Mart{\'i}nez",

note = "Funding Information: The Colombian Administrative Department of Science, Technology and Innovation, COLCIENCIAS, (Project 110245921468) and the Danish Agency for Science Technology and Innovation (FTP 271-08-0968) are gratefully acknowledged for financial support. ",

year = "2013",

month = mar,

day = "28",

doi = "10.1016/j.cplett.2013.02.014",

language = "Ingl{\'e}s",

volume = "564",

pages = "60--64",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

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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 E.

AU - Rozlosnik, Noemi

AU - Boisen, Anja

AU - Martínez, Fernando

N1 - Funding Information: The Colombian Administrative Department of Science, Technology and Innovation, COLCIENCIAS, (Project 110245921468) and the Danish Agency for Science Technology and Innovation (FTP 271-08-0968) are gratefully acknowledged for financial support.

PY - 2013/3/28

Y1 - 2013/3/28

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=84875214008&partnerID=8YFLogxK

U2 - 10.1016/j.cplett.2013.02.014

DO - 10.1016/j.cplett.2013.02.014

M3 - Artículo Científico

AN - SCOPUS:84875214008

SN - 0009-2614

VL - 564

SP - 60

EP - 64

JO - Chemical Physics Letters

JF - Chemical Physics Letters

ER -

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

Abstract

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