Theoretical study of the interaction between carbon nanotubes and the linoleic acid, an atherogenic polyunsaturated fatty acid

Ana María Torres, John Bustamante, Andrés M. Garay-Tapia, Tapas Kar

Research output: Chapter in Book/Report/Conference proceedingConference and proceedingspeer-review

Abstract

This investigation explores the interaction between single walled carbon nanotubes and the linoleic acid, a polyunsaturated fatty acid, present in low density lipoprotein, which is highly susceptible to oxidation. Molecular models were built and theoretical studies were performed using the PM6 semiempirical method and the density functional theory. The strength of the interaction was estimated from the interaction energy calculation. Negative values of Eint indicated that all evaluated systems are stable. Although, the interaction occurs through weak forces, CH· · ·π, OH· · ·π and CH· · ·N, collectively such interactions are strong enough and may be considered as chemisorption.

Original languageEnglish
Title of host publication7th Latin American Congress on Biomedical Engineering, CLAIB 2016
EditorsJohn Bustamante, Daniel A. Sierra, Isnardo Torres
PublisherSpringer Verlag
Pages492-495
Number of pages4
ISBN (Print)9789811040856
DOIs
StatePublished - 7 Apr 2017
Event7th Latin American Congress on Biomedical Engineering, CLAIB 2016 - Bucaramanga, Santander, Colombia
Duration: 26 Oct 201628 Oct 2016

Publication series

NameIFMBE Proceedings
Volume60
ISSN (Print)1680-0737

Conference

Conference7th Latin American Congress on Biomedical Engineering, CLAIB 2016
Country/TerritoryColombia
CityBucaramanga, Santander
Period26/10/1628/10/16

Bibliographical note

Publisher Copyright:
© Springer Nature Singapore Pte Ltd. 2017.

Keywords

  • Carbon nanotubes
  • Density functional theory
  • Linoleic acid
  • Lipid peroxidation

Types Minciencias

  • Eventos científicos con componente de apropiación

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