| dc.creator | ANDRES MANUEL GARAY TAPIA | |
| dc.creator | Tapas Kar | |
| dc.date | 2017 | |
| dc.date.accessioned | 2023-07-21T15:32:12Z | |
| dc.date.available | 2023-07-21T15:32:12Z | |
| dc.identifier | http://cimav.repositorioinstitucional.mx/jspui/handle/1004/2455 | |
| dc.identifier.uri | https://repositorioslatinoamericanos.uchile.cl/handle/2250/7728350 | |
| dc.description | 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. | |
| dc.format | application/pdf | |
| dc.language | eng | |
| dc.rights | info:eu-repo/semantics/openAccess | |
| dc.rights | http://creativecommons.org/licenses/by-nc/4.0 | |
| dc.subject | info:eu-repo/classification/cti/2 | |
| dc.subject | info:eu-repo/classification/cti/2 | |
| dc.title | Theoretical study of the interaction between carbon nanotubes and the linoleic acid, an atherogenic polyunsaturated fatty acid | |
| dc.type | info:eu-repo/semantics/article | |
| dc.type | info:eu-repo/semantics/publishedVersion | |
