Stealthy Player in Lipid Experiments? EDTA Binding to Phosphatidylcholine Membranes Probed by Simulations and Monolayer Experiments

0584553 - ÚOCHB 2024 RIV US eng J - Journal Article
Vazdar, K. - Tempra, Carmelo - Olžyńska, A. - Biriukov, Denys - Cwiklik, Lukasz - Vazdar, M.
Stealthy Player in Lipid Experiments? EDTA Binding to Phosphatidylcholine Membranes Probed by Simulations and Monolayer Experiments.
Journal of Physical Chemistry B. Roč. 127, č. 24 (2023), s. 5462-5469. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA MŠMT(CZ) LX22NPO5103
Institutional support: RVO:61388963
Keywords : chelating agents * force field * calcium
OECD category: Physical chemistry
Impact factor: 3.3, year: 2022
Method of publishing: Open access
https://doi.org/10.1021/acs.jpcb.3c03207

Ethylenediaminetetraacetic acid (EDTA) is frequentlyused in lipidexperiments to remove redundant ions, such as Ca2+, fromthe sample solution. In this work, combining molecular dynamics (MD)simulations and Langmuir monolayer experiments, we show that on topof the expected Ca2+ depletion, EDTA anions themselvesbind to phosphatidylcholine (PC) monolayers. This binding, originatingfrom EDTA interaction with choline groups of PC lipids, leads to theadsorption of EDTA anions at the monolayer surface and concentration-dependentchanges in surface pressure as measured by monolayer experiments andexplained by MD simulations. This surprising observation emphasizesthat lipid experiments carried out using EDTA-containing solutions,especially of high concentrations, must be interpreted very carefullydue to potential interfering interactions of EDTA with lipids andother biomolecules involved in the experiment, e.g., cationic peptides,that may alter membrane-binding affinities of studied compounds.
Permanent Link: https://hdl.handle.net/11104/0352462