Distribution of lipid aldehydes in phase-separated membranes: A molecular dynamics study

Maria C Oliveira; Maksudbek Yusupov; Annemie Bogaerts; Rodrigo M Cordeiro

doi:10.1016/j.abb.2022.109136

Distribution of lipid aldehydes in phase-separated membranes: A molecular dynamics study

Arch Biochem Biophys. 2022 Mar 15:717:109136. doi: 10.1016/j.abb.2022.109136. Epub 2022 Jan 24.

Authors

Maria C Oliveira¹, Maksudbek Yusupov², Annemie Bogaerts³, Rodrigo M Cordeiro⁴

Affiliations

¹ Research Group PLASMANT, Department of Chemistry, University of Antwerp, Universiteitsplein 1, B-2610, Antwerp, Belgium; Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, Avenida dos Estados 5001, CEP 09210-580, Santo André, SP, Brazil.
² Research Group PLASMANT, Department of Chemistry, University of Antwerp, Universiteitsplein 1, B-2610, Antwerp, Belgium; Laboratory of Thermal Physics of Multiphase Systems, Arifov Institute of Ion-Plasma and Laser Technologies, Academy of Sciences of Uzbekistan, Durmon yuli str. 33, 100125, Tashkent, Uzbekistan.
³ Research Group PLASMANT, Department of Chemistry, University of Antwerp, Universiteitsplein 1, B-2610, Antwerp, Belgium.
⁴ Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, Avenida dos Estados 5001, CEP 09210-580, Santo André, SP, Brazil. Electronic address: rodrigo.cordeiro@ufabc.edu.br.

PMID: 35085576
DOI: 10.1016/j.abb.2022.109136

Abstract

It is well established that lipid aldehydes (LAs) are able to increase the permeability of cell membranes and induce their rupture. However, it is not yet clear how LAs are distributed in phase-separated membranes (PSMs), which are responsible for the transport of selected molecules and intracellular signaling. Thus, we investigate here the distribution of LAs in a PSM by coarse-grained molecular dynamics simulations. Our results reveal that LAs derived from mono-unsaturated lipids tend to accumulate at the interface between the liquid-ordered/liquid-disordered domains, whereas those derived from poly-unsaturated lipids remain in the liquid-disordered domain. These results are important for understanding the effects caused by oxidized lipids in membrane structure, properties and organization.

Keywords: Lipid aldehydes; Membrane permeability; Molecular dynamics simulations; Phase-separated membranes.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Aldehydes / chemistry*
Cell Membrane
Cell Membrane Permeability
Lipids / chemistry
Molecular Conformation
Molecular Dynamics Simulation
Phase Transition

Substances

Aldehydes
Lipids