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

Cardiovascular Dynamics

Research output: Chapter in Book/Conference proceeding › Conference and proceedings › peer-review

1 Scopus citations

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 E_int 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 language	English
Title of host publication	7th Latin American Congress on Biomedical Engineering, CLAIB 2016
Editors	John Bustamante, Daniel A. Sierra, Isnardo Torres
Publisher	Springer Verlag
Pages	492-495
Number of pages	4
ISBN (Print)	9789811040856
DOIs	https://doi.org/10.1007/978-981-10-4086-3_124
State	Published - 7 Apr 2017
Event	7th Latin American Congress on Biomedical Engineering, CLAIB 2016 - Bucaramanga, Santander, Colombia Duration: 26 Oct 2016 → 28 Oct 2016

Publication series

Name	IFMBE Proceedings
Volume	60
ISSN (Print)	1680-0737

Conference

Conference	7th Latin American Congress on Biomedical Engineering, CLAIB 2016
Country/Territory	Colombia
City	Bucaramanga, Santander
Period	26/10/16 → 28/10/16

Bibliographical note

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

Keywords

Carbon nanotubes
Density functional theory
Linoleic acid
Lipid peroxidation

Types Minciencias

Scientific events with a public engagement component

Access to Document

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

Cite this

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. In 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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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.",

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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. in 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).

Research output: Chapter in Book/Conference proceeding › Conference and proceedings › peer-review

TY - GEN

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AU - Torres, Ana María

AU - Bustamante, John

AU - Garay-Tapia, Andrés M.

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PY - 2017/4/7

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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. In Bustamante J, Sierra DA, Torres I, editors, 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

Abstract

Publication series

Conference

Bibliographical note

Keywords

Types Minciencias

Access to Document

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Cite this