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 language | English |
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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 | |
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 |
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Volume | 60 |
ISSN (Print) | 1680-0737 |
Conference
Conference | 7th Latin American Congress on Biomedical Engineering, CLAIB 2016 |
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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
- Eventos científicos con componente de apropiación