Coating of magnetic nanoparticles affects their interactions with model cell membranes

• Published in: Biochimica et biophysica acta. General subjects Vol. 1864; no. 11; p. 129671
• Main Authors: Lazaratos, Michalis, Karathanou, Konstantina, Mainas, Eleftherios, Chatzigoulas, Alexios, Pippa, Natassa, Demetzos, Costas, Cournia, Zoe
• Format: Journal Article
• Language: English
• Published: Netherlands Elsevier B.V 01.11.2020
• Subjects: Cancer; Cell Membrane - chemistry; coatings; cytotoxicity; Differential scanning calorimetry; Diffusion; Drug delivery; Gum Arabic - chemistry; humans; lipid bilayers; Lipid Bilayers - chemistry; lipids; magnetism; Magnetite; Magnetite Nanoparticles - chemistry; medicine; Membranes, Artificial; molecular dynamics; Molecular Dynamics Simulation; Molecular dynamics simulations; molecular models; Nanoparticles; physicochemical properties; polyvinyl alcohol; Polyvinyl Alcohol - chemistry; Differential scanning calorimetry; CG; MAG-PVA; Drug delivery; Molecular dynamics simulations; Nanoparticles; ARA; Magnetite; DSC; RDF; MD; Tm; PVA; MAG-ARA; Cancer; DPPC; Ts; MSD
• ISSN: 0304-4165; 1872-8006; 1872-8006
• DOI: 10.1016/j.bbagen.2020.129671

The use of functionalized iron oxide nanoparticles of various chemical properties and architectures offers a new promising direction in theranostic applications. The increasing applications of nanoparticles in medicine require that these engineered nanomaterials will contact human cells without damaging essential tissues. Thus, efficient delivery must be achieved, while minimizing cytotoxicity during passage through cell membranes to reach intracellular target compartments. Differential Scanning Calorimetry (DSC), molecular modeling, and atomistic Molecular Dynamics (MD) simulations were performed for two magnetite nanoparticles coated with polyvinyl alcohol (PVA) and polyarabic acid (ARA) in order to assess their interactions with model DPPC membranes. DSC experiments showed that both nanoparticles interact strongly with DPPC lipid head groups, albeit to a different degree, which was further confirmed and quantified by MD simulations. The two systems were simulated, and dynamical and structural properties were monitored. A bimodal diffusion was observed for both nanoparticles, representing the diffusion in the water phase and in the proximity of the lipid bilayer. Nanoparticles did not enter the bilayer, but caused ordering of the head groups and reduced the area per lipid compared to the pure bilayer, with MAG-PVA interacting more strongly and being closer to the lipid bilayer. Results of DSC experiments and MD simulations were in excellent agreement. Our findings demonstrate that the external coating is a key factor that affects nanoparticle-membrane interactions. Magnetite nanoparticles coated with PVA and ARA did not destabilize the model membrane and can be considered promising platforms for biomedical applications. Understanding the physico-chemical interactions of different nanoparticle coatings in contact with model cell membranes is the first step for assessing toxic response and could lead to predictive models for estimating toxicity. DSC in combination with MD simulations is an effective strategy to assess physico-chemical interactions of coated nanoparticles with lipid bilayers. [Display omitted] •Interactions of coated nanoparticles with DPPC bilayers were studied with Differential Scanning Calorimetry and MD simulations.•DSC and MD simulations reveal different interactions of MAG-PVA and MAG-ARA nanoparticles with polar groups of phospholipids.•MAG-PVA interacts more strongly with DPPC headgroups and is on average closer to the lipid bilayer.•Nanoparticles caused ordering of the head groups and reduced the area per lipid compared to the pure bilayer.•MAG-ARA and MAG-PVA do not destabilize the model membrane and can be promising platforms for biomedical applications.