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

被引：11

作者：

Castillo, John J. ^{[1
,2
]}

Rozo, Ciro E. ^{[3
]}

Castillo-Leon, Jaime ^{[4
]}

Rindzevicius, Tomas ^{[4
]}

Svendsen, Winnie E. ^{[4
]}

Rozlosnik, Noemi ^{[4
]}

Boisen, Anja ^{[4
]}

Martinez, Fernando ^{[1
]}

机构：

[1] Univ Ind Santander, Ctr Invest Catalisis, Piedecuesta, Colombia

[2] Univ Santander, Fac Ciencias Fis Exactas & Nat, Grp Invest Ciencias Quim & Tecnol Sostenibles, Bucaramanga, Colombia

[3] Univ Santo Tomas, Fac Quim Ambiental, Grp Invest Ambientales Desarrollo Sostenible, Floridablanca, Colombia

[4] Tech Univ Denmark, Dept Micro & Nanotechnol, DK-2800 Lyngby, Denmark

来源：

CHEMICAL PHYSICS LETTERS | 2013年 / 564卷

关键词：

DRUG-DELIVERY; CANCER; ADSORPTION; SPECTROSCOPY; DERIVATIVES; CHITOSAN;

D O I：

10.1016/j.cplett.2013.02.014

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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 pi 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. (C) 2013 Elsevier B. V. All rights reserved.

引用

页码：60 / 64

页数：5

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