ArticleThe journal of physical chemistry. B2011
Orientation of fluorescent lipid analogue BODIPY-PC to probe lipid membrane properties: insights from molecular dynamics simulations.
Article in The journal of physical chemistry. B, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed, 32 citations in OpenAlex.
- Quantum Chemical and Trajectory Surface Hopping Molecular Dynamics Study of Iodine-Based BODIPY Photosensitizer.Journal of computational chemistry · 2025Article
- Computational investigation of the effect of BODIPY labelling on peptide-membrane interaction.Scientific reports · 2024Article
- The Secret Lives of Fluorescent Membrane Probes as Revealed by Molecular Dynamics Simulations.Molecules (Basel, Switzerland) · 2020Review
- Targeted fluorescence lifetime probes reveal responsive organelle viscosity and membrane fluidity.PloS one · 2019Article
- Structure-Property Relationships of Amphiphilic Nanoparticles That Penetrate or Fuse Lipid Membranes.Bioconjugate chemistry · 2018Article
- β1-subunit-induced structural rearrangements of the Ca2+- and voltage-activated K+ (BK) channel.Proceedings of the National Academy of Sciences of the United States of America · 2016Article
- Lipid-linked oligosaccharides in membranes sample conformations that facilitate binding to oligosaccharyltransferase.Biophysical journal · 2014Article
- Simple estimation of Förster Resonance Energy Transfer (FRET) orientation factor distribution in membranes.International journal of molecular sciences · 2012Article
- Probing the orientational distribution of dyes in membranes through multiphoton microscopy.Biophysical journal · 2012Article
- Single molecule probes of membrane structure: orientation of BODIPY probes in DPPC as a function of probe structure.The Analyst · 2012Article
Corrections and comments
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Authors and funding
6 authors at 2 institutions in 1 country.
Funding
Abstract
Single-molecule fluorescence measurements have been used to characterize membrane properties, and recently showed a linear evolution of the fluorescent lipid analogue BODIPY-PC toward small tilt angles in Langmuir-Blodgett monolayers as the lateral surface pressure is increased. In this work, we have performed comparative molecular dynamics (MD) simulations of BODIPY-PC in DPPC (dipalmitoylphosphatidylcholine) monolayers and bilayers at three surface pressures (3, 10, and 40 mN/m) to explore (1) the microscopic correspondence between monolayer and bilayer structures, (2) the fluorophore's position within the membrane, and (3) the microscopic driving forces governing the fluorophore's tilting. The MD simulations reveal very close agreement between the monolayer and bilayer systems in terms of the fluorophore's orientation and lipid chain order, suggesting that monolayer experiments can be used to approximate bilayer systems. The simulations capture the trend of reduced tilt angle of the fluorophore with increasing surface pressure, as seen in the experimental results, and provide detailed insights into fluorophore location and orientation, not obtainable in the experiments. The simulations also reveal that the enthalpic contribution is dominant at 40 mN/m, resulting in smaller tilt angles of the fluorophore, and the entropy contribution is dominant at lower pressures, resulting in larger tilt angles.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.