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Effect of head group and lipid tail oxidation in the cell membrane revealed through integrated simulations and experiments

Maksudbek Yusupov, K. Wende, S. Kupsch, E. C. Neyts, Stephan Reuter and A. Bogaerts

Article (2017)

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Abstract

We report on multi-level atomistic simulations for the interaction of reactive oxygen species (ROS) with the head groups of the phospholipid bilayer, and the subsequent effect of head group and lipid tail oxidation on the structural and dynamic properties of the cell membrane. Our simulations are validated by experiments using a cold atmospheric plasma as external ROS source. We found that plasma treatment leads to a slight initial rise in membrane rigidity, followed by a strong and persistent increase in fluidity, indicating a drop in lipid order. The latter is also revealed by our simulations. This study is important for cancer treatment by therapies producing (extracellular) ROS, such as plasma treatment. These ROS will interact with the cell membrane, first oxidizing the head groups, followed by the lipid tails. A drop in lipid order might allow them to penetrate into the cell interior (e.g., through pores created due to oxidation of the lipid tails) and cause intracellular oxidative damage, eventually leading to cell death. This work in general elucidates the underlying mechanisms of ROS interaction with the cell membrane at the atomic level.

Uncontrolled Keywords

Cell Membrane/*chemistry/metabolism ; Hydroxyl Radical/chemistry/metabolism ; Lipid Bilayers/*chemistry/metabolism; Mass Spectrometry/methods ; Membrane Fluidity ; *Molecular Dynamics Simulation ; Molecular Structure ; Oxidation-Reduction ; Phospholipids/*chemistry/metabolism ; Reactive Oxygen Species/*chemistry/metabolism

Subjects: 3100 Physics > 3107 Plasma physics
Department: Department of Engineering Physics
Funders: Research Foundation – Flanders (FWO), Hercules Foundation, Flemish Government (department EWI), UA, BMBF, Ministry of Education, Science and Culture of the State of Mecklenburg-Vorpommern
Grant number: 1200216 N, FKZ: 03Z2DN12, AU 15001
PolyPublie URL: https://publications.polymtl.ca/5186/
Journal Title: Scientific Reports (vol. 7, no. 1)
Publisher: Springer Nature
DOI: 10.1038/s41598-017-06412-8
Official URL: https://doi.org/10.1038/s41598-017-06412-8
Date Deposited: 27 Feb 2023 10:11
Last Modified: 23 May 2024 12:22
Cite in APA 7: Yusupov, M., Wende, K., Kupsch, S., Neyts, E. C., Reuter, S., & Bogaerts, A. (2017). Effect of head group and lipid tail oxidation in the cell membrane revealed through integrated simulations and experiments. Scientific Reports, 7(1), 5761 (14 pages). https://doi.org/10.1038/s41598-017-06412-8

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