Effect of the external electric field on the structure and reactivity of model complex lipids
Authors:
- Józef Mazurkiewicz,
- Henryk Kołoczek,
- Piotr Tomasik
Abstract
Background: The study of the effect of external electric field on the structure and reactivity of fatty acids and their glycerides is now extended to selected derived lipids. Objectives: The present study involves computations of changes in energy and dipole moments, charge density and bond lengths of β-carotene (a carotenoid), cholesterol (a sterol), sphingosine and ceramide (sphingolipids) and phosphatidylcholine (a phospholipid) in the external electric field of 0.00, 5.14, 25.70 and 51.40 MV/cm. Method: The computations were performed applying HyperChem 8.0 software together with the PM3 method for optimization of the conformation of the molecules. Results: The raise in the EEF strength to 5.14 MV/cm has a subtle effect on the molecular energy of the lipids under study. A slight tendency in decreasing that energy can, however, be observed. On elevating the strength up to 25.70 MV/cm that decrease in molecular energy was more significant. Conclusions: Observed changes evoked by the EEF were specific for particular molecules. They resulted mainly from the polarization of the bonds and to a lesser extent from steric deformations of the molecules.
- Record ID
- CUT9c51806f10e342cf9e9178d32837efb4
- Publication categories
- ;
- Author
- Journal series
- Current Physical Chemistry, ISSN 1877-9468
- Issue year
- 2017
- Vol
- 7
- No
- 1
- Pages
- 71-80
- Other elements of collation
- Oznaczenie streszczenia - Abstr.; Numeracja w czasopiśmie - Vol. 7, No 1
- Keywords in English
- electric field, fatty acids, configuration
- DOI
- DOI:10.2174/1877946807666170203124359 Opening in a new tab
- URL
- https://www.ingentaconnect.com/contentone/ben/cpc/2017/00000007/00000001/art00010?crawler=true&mimetype=application/pdf Opening in a new tab
- Language
- eng (en) English
- Score (nominal)
- 1
- Uniform Resource Identifier
- https://cris.pk.edu.pl/info/article/CUT9c51806f10e342cf9e9178d32837efb4/
- URN
urn:pkr-prod:CUT9c51806f10e342cf9e9178d32837efb4
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