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 Edith Svendsen, Noemi Rozlosnik, Anja Boisen, Fernando Martínez O

    Research output: Contribution to journalJournal articleResearchpeer-review

    Abstract

    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.
    Original languageEnglish
    JournalChemical Physics Letters
    Volume564
    Pages (from-to)60-64
    ISSN0009-2614
    DOIs
    Publication statusPublished - 2013

    Cite this

    @article{b305083a226044e4b83cd9e2d96c6ee8,
    title = "Computational and experimental studies of the interaction between single-walled carbon nanotubes and folic acid",
    abstract = "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.",
    author = "Castillo, {John J.} and Rozo, {Ciro E.} and Jaime Castillo-Le{\'o}n and Tomas Rindzevicius and Svendsen, {Winnie Edith} and Noemi Rozlosnik and Anja Boisen and O, {Fernando Mart{\'i}nez}",
    year = "2013",
    doi = "10.1016/j.cplett.2013.02.014",
    language = "English",
    volume = "564",
    pages = "60--64",
    journal = "Chemical Physics Letters",
    issn = "0009-2614",
    publisher = "Elsevier",

    }

    Computational and experimental studies of the interaction between single-walled carbon nanotubes and folic acid. / Castillo, John J.; Rozo, Ciro E. ; Castillo-León, Jaime; Rindzevicius, Tomas; Svendsen, Winnie Edith; Rozlosnik, Noemi; Boisen, Anja; O, Fernando Martínez .

    In: Chemical Physics Letters, Vol. 564, 2013, p. 60-64.

    Research output: Contribution to journalJournal articleResearchpeer-review

    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

    VL - 564

    SP - 60

    EP - 64

    JO - Chemical Physics Letters

    JF - Chemical Physics Letters

    SN - 0009-2614

    ER -