We can't find the internet
Attempting to reconnect
Something went wrong!
Hang in there while we get back on track
Dipolar Nanoparticle Interacting with a Lipid Membrane
Summary
Researchers used molecular dynamics simulation to investigate how the electric dipole moment of conductive nanoparticles affects their interaction with lipid bilayer membranes, finding that dipole moment induces stronger electrostatic attraction and alters membrane penetration dynamics relevant to drug delivery and nanomedicine.
Abstract Understanding the specifics of how nanoparticles interact with biological membranes is essential for the development of nanoparticles designed for drug delivery, biosensing, and nanomedicine. The role of electric dipole moment of conductive nanoparticles in nanoparticle-membrane interactions remains insufficiently studied. Using molecular dynamics simulation, we investigate the interactions of a dipolar nanoparticle with a lipid bilayer. Our results show that the electric dipole moment induces stronger electrostatic attraction between the dipolar nanoparticle and the membrane than that of the non-dipolar nanoparticle, making penetration slightly easier. Steered molecular dynamics force profile shows that the electric dipole moment reduces mechanical resistance by about 440 pN. Fast Fourier Transform analysis shows stronger low-frequency fluctuations of the dipole, when the nanoparticle exits the center of membrane, indicating dynamic polarization. Correlation Width and Correlation Fraction of the membrane's leaflets vary between the dipolar and non-dipolar cases, which shows in the dipolar case lipid-lipid coupling is lower. Our simulations show that excessive per-bead charge suppresses dipole fluctuations due to strong core coupling and lateral repulsion. Tuning surface charge distribution can improve dipolar dynamics, and lower penetration force. The study also suggests experimentally testable hypotheses on how electric dipole moment affects nanoparticle uptake.
Sign in to start a discussion.
More Papers Like This
Effects of Nanoplastics on Lipid Membranes and Vice Versa: Insights from All-Atom Molecular Dynamics Simulations
Researchers used molecular dynamics simulations to study how polyethylene nanoplastics interact with cell membrane models. They found that the mechanical properties of the lipid membrane, rather than the nanoplastic structure, primarily determine whether particles can penetrate cells. The study suggests that more flexible biological membranes may be more susceptible to nanoplastic penetration, providing insight into how these particles could enter living cells.
Understanding the transformations of nanoplastic onto phospholipid bilayers: Mechanism, microscopic interaction and cytotoxicity assessment
Researchers used molecular dynamics simulations to model how five types of nanoplastics (PVC, PS, PLA, PP, PET) interact with cell membrane lipid bilayers, finding that van der Waals forces dominate uptake and that nanoplastic accumulation reduces membrane thickness in a way that correlates with cytotoxicity.
Polystyrene-InducedDehydration of Lipid Membranes:Insights from Atomistic Simulations
Researchers performed atomistic molecular dynamics simulations to characterize how polystyrene nanoplastics interact with and dehydrate lipid bilayer membranes following membrane penetration. The simulations revealed the structural and thermodynamic mechanisms by which nanoplastic particles disrupt membrane hydration, contributing to understanding of nanoplastic toxicity at the cellular level.
Polystyrene-InducedDehydration of Lipid Membranes:Insights from Atomistic Simulations
Researchers used atomistic molecular dynamics simulations to investigate the dehydration of lipid membranes caused by polystyrene nanoplastics that have penetrated the bilayer. The findings revealed how nanoplastic particles alter the hydration state of membrane lipids, providing detailed mechanistic understanding of nanoplastic interactions with biological membranes.
Polystyrene-Induced Dehydration of Lipid Membranes: Insights from Atomistic Simulations
Atomistic molecular dynamics simulations revealed that polystyrene nanoplastics cause dehydration of lipid membranes upon contact, extracting water molecules from the bilayer interface in ways that could alter membrane structure and function relevant to cellular uptake of nanoplastic particles.