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

doi:10.1007/978-981-10-4086-3_124

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

Grupo de Dinámica Cardiovascular

Producción científica: Capítulo del libro/informe/acta de congreso › Ponencia publicada en las memorias del evento con ISBN › revisión 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 indicated that all evaluated systems are stable. Although, the interaction occurs through weak forces, CH OH and CH...N, collectively such interactions are strong enough and may be considered as chemisorption.

Idioma original	Inglés
Título de la publicación alojada	7th Latin American Congress on Biomedical Engineering, CLAIB 2016
Editores	John Bustamante, Daniel A. Sierra, Isnardo Torres
Editorial	Springer Verlag
Páginas	492-495
Número de páginas	4
ISBN (versión impresa)	9789811040856
DOI	https://doi.org/10.1007/978-981-10-4086-3_124
Estado	Publicada - 7 abr. 2017
Evento	7th Latin American Congress on Biomedical Engineering, CLAIB 2016 - Bucaramanga, Santander, Colombia Duración: 26 oct. 2016 → 28 oct. 2016

Serie de la publicación

Nombre	IFMBE Proceedings
Volumen	60
ISSN (versión impresa)	1680-0737

Conferencia

Conferencia	7th Latin American Congress on Biomedical Engineering, CLAIB 2016
País/Territorio	Colombia
Ciudad	Bucaramanga, Santander
Período	26/10/16 → 28/10/16

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

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10.1007/978-981-10-4086-3_124

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Torres, A. M., Bustamante, J., Garay-Tapia, A. M., & Kar, T. (2017). Theoretical study of the interaction between carbon nanotubes and the linoleic acid, an atherogenic polyunsaturated fatty acid. En J. Bustamante, D. A. Sierra, & I. Torres (Eds.), 7th Latin American Congress on Biomedical Engineering, CLAIB 2016 (pp. 492-495). (IFMBE Proceedings; Vol. 60). Springer Verlag. https://doi.org/10.1007/978-981-10-4086-3_124

Torres, Ana María ; Bustamante, John ; Garay-Tapia, Andrés M. et al. / Theoretical study of the interaction between carbon nanotubes and the linoleic acid, an atherogenic polyunsaturated fatty acid. 7th Latin American Congress on Biomedical Engineering, CLAIB 2016. editor / John Bustamante ; Daniel A. Sierra ; Isnardo Torres. Springer Verlag, 2017. pp. 492-495 (IFMBE Proceedings).

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

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 indicated that all evaluated systems are stable. Although, the interaction occurs through weak forces, CH OH and CH...N, collectively such interactions are strong enough and may be considered as chemisorption.",

keywords = "Carbon nanotubes, Density functional theory, Linoleic acid, Lipid peroxidation",

author = "Torres, {Ana Mar{\'i}a} and John Bustamante and Garay-Tapia, {Andr{\'e}s M.} and Tapas Kar",

note = "Publisher Copyright: {\textcopyright} Springer Nature Singapore Pte Ltd. 2017.; 7th Latin American Congress on Biomedical Engineering, CLAIB 2016 ; Conference date: 26-10-2016 Through 28-10-2016",

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Torres, AM, Bustamante, J, Garay-Tapia, AM & Kar, T 2017, Theoretical study of the interaction between carbon nanotubes and the linoleic acid, an atherogenic polyunsaturated fatty acid. En J Bustamante, DA Sierra & I Torres (eds.), 7th Latin American Congress on Biomedical Engineering, CLAIB 2016. IFMBE Proceedings, vol. 60, Springer Verlag, pp. 492-495, 7th Latin American Congress on Biomedical Engineering, CLAIB 2016, Bucaramanga, Santander, Colombia, 26/10/16. https://doi.org/10.1007/978-981-10-4086-3_124

Theoretical study of the interaction between carbon nanotubes and the linoleic acid, an atherogenic polyunsaturated fatty acid. / Torres, Ana María; Bustamante, John; Garay-Tapia, Andrés M. et al.
7th Latin American Congress on Biomedical Engineering, CLAIB 2016. ed. / John Bustamante; Daniel A. Sierra; Isnardo Torres. Springer Verlag, 2017. p. 492-495 (IFMBE Proceedings; Vol. 60).

Producción científica: Capítulo del libro/informe/acta de congreso › Ponencia publicada en las memorias del evento con ISBN › revisión exhaustiva

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T1 - Theoretical study of the interaction between carbon nanotubes and the linoleic acid, an atherogenic polyunsaturated fatty acid

AU - Torres, Ana María

AU - Bustamante, John

AU - Garay-Tapia, Andrés M.

AU - Kar, Tapas

N1 - Publisher Copyright: © Springer Nature Singapore Pte Ltd. 2017.

PY - 2017/4/7

Y1 - 2017/4/7

N2 - 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 indicated that all evaluated systems are stable. Although, the interaction occurs through weak forces, CH OH and CH...N, collectively such interactions are strong enough and may be considered as chemisorption.

AB - 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 indicated that all evaluated systems are stable. Although, the interaction occurs through weak forces, CH OH and CH...N, collectively such interactions are strong enough and may be considered as chemisorption.

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KW - Density functional theory

KW - Linoleic acid

KW - Lipid peroxidation

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ER -

Torres AM, Bustamante J, Garay-Tapia AM, Kar T. Theoretical study of the interaction between carbon nanotubes and the linoleic acid, an atherogenic polyunsaturated fatty acid. En Bustamante J, Sierra DA, Torres I, editores, 7th Latin American Congress on Biomedical Engineering, CLAIB 2016. Springer Verlag. 2017. p. 492-495. (IFMBE Proceedings). doi: 10.1007/978-981-10-4086-3_124

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

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