Bilayer deformation, pores, and micellation induced by oxidized lipids

Ph. Boonnoy, V. Jarerattanachat, M.E.J. Karttunen, J. Wong-Ekkabut

Research output: Contribution to journalArticleAcademicpeer-review

41 Citations (Scopus)

Abstract

The influence of different oxidized lipids on lipid bilayers was investigated with 16 individual 1 μs atomistic molecular dynamics (MD) simulations. Binary mixtures of lipid bilayers of 1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphatidylcholine (PLPC) and its peroxide and aldehyde products were performed at different concentrations. In addition, an asymmetrical short chain lipid, 1-palmitoyl-2-decanoyl-sn-glycero-3-phosphatidylcholine (PDPC), was used to compare the effects of polar/apolar groups in the lipid tail on lipid bilayer. Although water defects occurred with both aldehyde and peroxide lipids, full pore formation was observed only for aldehyde lipids. At medium concentrations the pores were stable. At higher concentrations, however, the pores became unstable and micellation occurred. Data analysis shows that aldehyde lipids' propensity for pore formation is due to their shorter and highly mobile tail. The highly polar peroxide lipids are stabilized by strong hydrogen bonds with interfacial water.

Original languageEnglish
Pages (from-to)4884-4888
Number of pages5
JournalThe Journal of Physical Chemistry Letters
Volume6
Issue number24
DOIs
Publication statusPublished - 24 Nov 2015

Keywords

  • lipid bilayer
  • lipid peroxidation
  • micellation
  • molecular dynamics simulations
  • oxidized lipids
  • pore formation

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