4 years ago

Computer simulations of the interaction of fullerene clusters with lipid membranes

Computer simulations of the interaction of fullerene clusters with lipid membranes
Yong-zhi Liu, Kai-li Zhu, Li-qiang Xie, Hai-yi Li, Sheng-de Liang, Zhong-hong Xi

Extensive coarse-grained simulations were performed to investigate the interactions of fullerene cluster with DMPC (dimyristoyl phosphatidyl choline) lipid membranes. The self-organised structures of pristine molecules in aqueous solutions are comparable with that in full-atomistic simulations. We find that the interaction between and membranes depends on the initial aggregation state of fullerene molecules. The insertion of aggregates with small size induced an increase of the bilayer thickness and membrane area. They disaggregate after entering the membrane interior, while larger ones can penetrate into the membrane as solid-like nanoparticles. Our simulations show that the lipids can be extracted from the outer monolayer of the membrane to accommodate the cluster during the insertion process. Particularly, multiple lipid and water molecules under the cluster can be transferred to the opposite side of the membrane, which can cause membrane asymmetry and osmotic pressure for small unilamellar vesicles. Our results suggest that mechanical damage may be a potential mechanism for membrane disruption and fullerene toxicity.

Publisher URL: http://www.tandfonline.com/doi/full/10.1080/08927022.2017.1332410

DOI: 10.1080/08927022.2017.1332410

You might also like
Discover & Discuss Important Research

Keeping up-to-date with research can feel impossible, with papers being published faster than you'll ever be able to read them. That's where Researcher comes in: we're simplifying discovery and making important discussions happen. With over 19,000 sources, including peer-reviewed journals, preprints, blogs, universities, podcasts and Live events across 10 research areas, you'll never miss what's important to you. It's like social media, but better. Oh, and we should mention - it's free.

  • Download from Google Play
  • Download from App Store
  • Download from AppInChina

Researcher displays publicly available abstracts and doesn’t host any full article content. If the content is open access, we will direct clicks from the abstracts to the publisher website and display the PDF copy on our platform. Clicks to view the full text will be directed to the publisher website, where only users with subscriptions or access through their institution are able to view the full article.