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Tethered Bilayer Lipid Membranes to Monitor Heat Transfer between Gold Nanoparticles and Lipid Membranes

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Published on: December 8, 2020

Density functional theory approach for coarse-grained lipid bilayers.

Laura J Douglas Frink¹, Amalie L Frischknecht

¹Sandia National Laboratories, Albuquerque, New Mexico 87185, USA. ljfrink@sandia.gov

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics

|December 31, 2005

Summary

This summary is machine-generated.

Density functional theory models lipid bilayers, revealing a surprising phase transition to isolated bilayers at lower temperatures due to solvent packing. This offers insights into lipid organization and nanoscale structures.

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Area of Science:

Biophysics
Soft Matter Physics
Computational Chemistry

Background:

Lipid bilayers are crucial for cellular function and interactions.
Modeling lipid bilayers ranges from all-atom molecular dynamics to liquid crystal approaches.
Understanding lipid behavior is key to cell biology and material science.

Purpose of the Study:

To apply a coarse-grained density functional theory (DFT) to model lipid bilayers.
To investigate compressibility effects and nanoscale structures in lipid bilayers.
To analyze fluid bilayers, lamellar phases, and phase transitions.

Main Methods:

Utilized a coarse-grained DFT approach with freely jointed chain lipid models.
Incorporated compressibility effects into the theoretical framework.
Calculated phase diagrams for planar symmetric phases, including macrophases.

Main Results:

Identified solutions with zero surface tension in lipid bilayers.
Discovered a first-order phase transition from lamellar to isolated bilayer phases upon cooling.
Observed highly ordered bilayer structures at further reduced temperatures.

Conclusions:

The DFT approach effectively models lipid bilayer structure and compressibility.
Solvent packing effects drive a novel phase transition in lipid bilayers.
The study provides a theoretical framework for understanding nanoscale organization in lipid systems.