Next Article in Journal
Micron-Sized Pored Membranes Based on Polyvinylidene Difluoride Hexafluoropropylene Prepared by Phase Inversion Techniques
Next Article in Special Issue
Synthesis and Application of Aurophilic Poly(Cysteine) and Poly(Cysteine)-Containing Copolymers
Previous Article in Journal
Incorporation of Calcium Containing Mesoporous (MCM-41-Type) Particles in Electrospun PCL Fibers by Using Benign Solvents
Previous Article in Special Issue
Vesicles in Multiple Shapes: Fine-Tuning Polymersomes’ Shape and Stability by Setting Membrane Hydrophobicity
Article Menu
Issue 10 (October) cover image

Export Article

Open AccessArticle
Polymers 2017, 9(10), 488; https://doi.org/10.3390/polym9100488

Cluster Formation of Polyphilic Molecules Solvated in a DPPC Bilayer

Institute of Chemistry, MLU Halle-Wittenberg, von-Danckelmann-Platz 4, 06120 Halle, Germany
*
Author to whom correspondence should be addressed.
Received: 15 September 2017 / Revised: 29 September 2017 / Accepted: 29 September 2017 / Published: 6 October 2017
(This article belongs to the Special Issue From Amphiphilic to Polyphilic Polymers)
View Full-Text   |   Download PDF [3889 KB, uploaded 11 October 2017]   |  

Abstract

We analyse the initial stages of cluster formation of polyphilic additive molecules which are solvated in a dipalmitoylphosphatidylcholine (DPPC) lipid bilayer. Our polyphilic molecules comprise an aromatic (trans-bilayer) core domain with (out-of-bilayer) glycerol terminations, complemented with a fluorophilic and an alkyl side chain, both of which are confined within the aliphatic segment of the bilayer. Large-scale molecular dynamics simulations (1 μ s total duration) of a set of six of such polyphilic additives reveal the initial steps towards supramolecular aggregation induced by the specific philicity properties of the molecules. For our intermediate system size of six polyphiles, the transient but recurrent formation of a trimer is observed on a characteristic timescale of about 100 ns. The alkane/perfluoroalkane side chains show a very distinct conformational distribution inside the bilayer thanks to their different philicity, despite their identical anchoring in the trans-bilayer segment of the polyphile. The diffusive mobility of the polyphilic additives is about the same as that of the surrounding lipids, although it crosses both bilayer leaflets and tends to self-associate. View Full-Text
Keywords: lipid bilayer; DPPC; bolapolyphile; diffusion coefficient; perfluorinated; molecular dynamics (MD) lipid bilayer; DPPC; bolapolyphile; diffusion coefficient; perfluorinated; molecular dynamics (MD)
Figures

Figure 1

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).
SciFeed

Share & Cite This Article

MDPI and ACS Style

Guo, X.-Y.; Peschel, C.; Watermann, T.; Rudorff, G.F.; Sebastiani, D. Cluster Formation of Polyphilic Molecules Solvated in a DPPC Bilayer. Polymers 2017, 9, 488.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics

1

Comments

[Return to top]
Polymers EISSN 2073-4360 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top