Phase segregation in bio-inspired multi-component vesicles encompassing double tail phospholipid species

Area of Science:

• Soft Matter Physics
• Biophysics
• Computational Chemistry

Background:

• Phospholipid vesicles are fundamental to biological membranes and drug delivery systems.
• Understanding phase segregation in multi-component vesicles is key to controlling their structure and function.
• Bio-inspired vesicles offer potential for advanced applications in medicine and materials science.

Purpose of the Study:

• To investigate phase segregation and structure in multi-component bio-inspired phospholipid vesicles.
• To model the self-assembly and behavior of hybrid vesicles using computational methods.
• To explore the influence of molecular properties on vesicle formation and stability.

Main Methods:

• Dissipative Particle Dynamics (DPD) simulations were employed.
• Phospholipid molecules were modeled with distinct head and tail groups and tunable molecular stiffness.
• Soft repulsive interaction parameters and three-body potentials were used to represent chemical distinctions and rigidity.

Main Results:

• Stable hybrid vesicles were formed through self-assembly in a hydrophilic solvent.
• Macroscopic phase separation was observed in binary phospholipid mixtures with differing hydrocarbon tail groups.
• Interfacial and surface tensions correlated with phase segregation, aligning with theoretical and experimental data.
• Molecular chain stiffness showed minimal impact on phase segregation but influenced vesicle shape transformations.

Conclusions:

• Phospholipid tail group differences are primary drivers of phase segregation in hybrid vesicles.
• DPD simulations provide a robust framework for understanding vesicle self-assembly and phase behavior.
• These findings support the design of tailored bio-inspired vesicles for diverse applications, including biomedicine and sensing.