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

Producción científica: Capítulo del libro/informe/acta de congresoPonencia publicada en las memorias del evento con ISBNrevisión exhaustiva

Resumen

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.

Idioma originalInglés
Título de la publicación alojada7th Latin American Congress on Biomedical Engineering, CLAIB 2016
EditoresJohn Bustamante, Daniel A. Sierra, Isnardo Torres
EditorialSpringer Verlag
Páginas492-495
Número de páginas4
ISBN (versión impresa)9789811040856
DOI
EstadoPublicada - 2017
Evento7th Latin American Congress on Biomedical Engineering, CLAIB 2016 - Bucaramanga, Santander, Colombia
Duración: 26 oct. 201628 oct. 2016

Serie de la publicación

NombreIFMBE Proceedings
Volumen60
ISSN (versión impresa)1680-0737

Conferencia

Conferencia7th Latin American Congress on Biomedical Engineering, CLAIB 2016
País/TerritorioColombia
CiudadBucaramanga, Santander
Período26/10/1628/10/16

Nota bibliográfica

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

Huella

Profundice en los temas de investigación de 'Theoretical study of the interaction between carbon nanotubes and the linoleic acid, an atherogenic polyunsaturated fatty acid'. En conjunto forman una huella única.

Citar esto