Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

Comparative molecular dynamics study of ether- and ester-linked phospholipid bilayers.

Keiko Shinoda1, Wataru Shinoda, Teruhiko Baba

  • 1Research Institute for Computational Sciences, Research Institute of Advanced Industrial Science and Technology, Tsukuba Central 2, Umezono 1-1-1, Tsukuba 305-8568, Japan.

The Journal of Chemical Physics
|November 13, 2004
PubMed
Summary

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Self-assembly: From blueprints to breakthroughs.

The Journal of chemical physics·2026
Same author

Crystallite Rotation Drives Strain Softening in Semicrystalline Polyethylene.

ACS materials Au·2026
Same author

Structure-Dependent Modulation of Light-Induced Membrane Permeabilization by Photoresponsive Tetraphenylethene Derivatives Revealed through Multiscale Simulations and Cellular Experiments.

ACS applied bio materials·2026
Same author

Synergistic Protein-Protein and Protein-Lipid Interactions Drive SARS-CoV-2 Envelope Assembly.

Journal of chemical information and modeling·2026
Same author

A Single L17E Mutation Switches the Membrane Disruption Mechanism of the Spider Venom Peptide M-lycotoxin.

The journal of physical chemistry. B·2026
Same author

Membrane Pore Formation Unveiled by ∞RETIS Path Sampling: From Thinning to Flip-Flop.

Journal of chemical theory and computation·2026

This study compared two types of lipid bilayers: one with ether linkages (found in archaea) and one with ester linkages (found in eukaryotes and bacteria). Using computer simulations, researchers analyzed how these linkages affect membrane properties. They found that ether-linked bilayers had lower dipole potentials and slightly higher free energy barriers for water. These differences suggest that ether linkages may reduce membrane permeability and increase stability. The results match experimental data and help explain why archaeal membranes are more stable. This work may inform future research on membrane design and function.

Area of Science:

  • Molecular biophysics
  • Membrane lipid dynamics
  • Computational biochemistry

Background:

Lipid bilayers in archaea differ structurally from those in eukaryotes and bacteria. Archaeal membranes contain ether-linked phospholipids with branched chains, while most other organisms use ester-linked straight-chain lipids. This structural difference may influence membrane stability and permeability. Prior research has shown that ether-linked lipids contribute to greater thermal resistance and lower permeability in archaeal membranes. However, how the ether linkage specifically affects bilayer properties remains unclear. This gap motivated researchers to investigate molecular-level differences between ether- and ester-linked bilayers. They focused on hydration, dipole potentials, and free energy barriers for water and oxygen. These properties are essential for understanding membrane function and permeation mechanisms. No prior work had resolved how ether linkages alter bilayer stability at the atomic scale. This study aimed to address that uncertainty through computational modeling.

Purpose Of The Study:

Keywords:
phospholipid bilayer structuremolecular dynamics simulationmembrane dipole potentiallipid membrane stability

Frequently Asked Questions

The ether-DPhPC bilayer had a membrane dipole potential about half that of the ester-DPhPC bilayer.

The free energy barrier for water in ether-DPhPC was slightly higher, suggesting lower permeability.

Hydration patterns differ between ether- and ester-linked bilayers, affecting membrane stability.

Lower dipole potentials in ether-DPhPC suggest reduced electrostatic interactions with water molecules.

Oxygen permeation was affected by ether linkages, indicating altered transport properties.

Related Experiment Videos

This study aimed to compare the physical properties of ether- and ester-linked phospholipid bilayers. Researchers wanted to determine how the ether linkage affects bilayer structure and permeability. They used molecular dynamics simulations to model diphytanyl phosphatidylcholine (ether-DPhPC) and diphytanoyl phosphatidylcholine (ester-DPhPC) bilayers. The goal was to analyze hydration, dipole potentials, and free energy barriers for water and oxygen. These properties are linked to membrane stability and permeability. The researchers sought to clarify the role of ether linkages in membrane function. They hypothesized that ether linkages might reduce permeability and increase stability. This approach allowed them to test molecular mechanisms without experimental limitations.

Main Methods:

The study used molecular dynamics simulations to model two types of phospholipid bilayers. Ether-DPhPC and ester-DPhPC bilayers were simulated in water for 10 nanoseconds each. Researchers analyzed bilayer structures, hydration patterns, and dipole potentials. They also calculated free energy profiles for water and oxygen molecules across the bilayers. These simulations provided data on molecular interactions and movement. The ether-DPhPC bilayer was compared directly to the ester-DPhPC counterpart. Researchers focused on differences in hydration and dipole potentials. They used computational tools to track water and oxygen permeation. The simulations allowed them to observe how ether linkages affect membrane properties.

Main Results:

The ether-DPhPC bilayer had a membrane dipole potential about half that of the ester-DPhPC bilayer. This difference was attributed to the ether linkage in the phospholipids. The free energy barrier for water molecules in the ether-DPhPC system was slightly higher than in the ester-DPhPC system. This result aligns with experimental data on membrane permeability. Hydration patterns showed distinct differences between the two bilayers. The ether-linked bilayer exhibited lower hydration in certain regions. Oxygen permeation was also affected by the ether linkage. These findings suggest that ether linkages may reduce membrane permeability.

Conclusions:

The study showed that ether linkages influence bilayer properties by altering dipole potentials and hydration. These changes may contribute to the stability and low permeability of archaeal membranes. The free energy barrier for water was higher in ether-DPhPC bilayers. This supports the idea that ether linkages reduce permeability. The observed differences in dipole potentials suggest functional implications for membrane behavior. The findings align with experimental data on membrane permeability. Researchers concluded that ether linkages play a role in membrane stability. These results may inform future studies on lipid bilayer design and function.

Ether linkages may be used to engineer membranes with lower permeability and higher stability.