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Membrane Fluidity01:23

Membrane Fluidity

Cell membranes are composed of phospholipids, proteins, and carbohydrates loosely attached to one another through chemical interactions. Molecules are generally able to move about in the plane of the membrane, giving the membrane its flexible nature called fluidity. Two other features of the membrane contribute to membrane fluidity: the chemical structure of the phospholipids and the presence of cholesterol in the membrane.Fatty acids tails of phospholipids can be either saturated or...

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Related Experiment Video

Updated: Jun 5, 2026

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies
07:31

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies

Published on: September 1, 2023

Molecular dynamics-based simulation of trace amine membrane permeability.

Mark D Berry1, Jarrod Nickel, Mithila R Shitut

  • 1Department of Chemistry, Brandon University, 270 18th Street, Brandon, MB, R7A 6A9, Canada. berrym@brandonu.ca

Journal of Neural Transmission (Vienna, Austria : 1996)
|January 7, 2011
PubMed
Summary
This summary is machine-generated.

Trace amines like p-tyramine (TA) can cross cell membranes, modulating neurotransmission. This study quantifies TA membrane permeability and explores 2-phenylethylamine (PE) passage using experimental and simulation methods.

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Area of Science:

  • Neuroscience
  • Biochemistry
  • Computational Biology

Background:

  • Trace amines, such as 2-phenylethylamine (PE) and p-tyramine (TA), are endogenous compounds in the vertebrate central nervous system.
  • They modulate neurotransmitter responsivity but do not function as classical neurotransmitters.
  • Trace Amine-Associated Receptor 1 (TAAR1), activated by PE and TA, is intracellular, necessitating membrane passage for these amines to exert their effects.

Purpose of the Study:

  • To systematically examine and quantify the membrane permeability of trace amines, specifically PE and TA.
  • To investigate the biophysical mechanisms governing trace amine passage across lipid bilayers using computational simulations.
  • To determine the diffusion coefficients of trace amines within different membrane compartments.

Main Methods:

  • Experimental measurement of permeability coefficients using Fluorosome® technology.
  • Molecular dynamics computer simulations to determine the potential of mean force (PMF) for trace amine passage across lipid bilayers.
  • Application of a homogeneous solubility-diffusion model integrating experimental and simulation data.

Main Results:

  • p-Tyramine (TA) exhibited a permeability coefficient of 25.3 ± 3.8 Å/s, comparable to noradrenaline.
  • Molecular simulations revealed significant energy barriers for PE and TA passage across lipid bilayers, particularly in their protonated states.
  • A diffusion coefficient for TA+ in the hydrophobic core region was fitted as (163 ± 25) × 10⁻¹⁰ m²/s, while the aqueous diffusion coefficient was (0.62 ± 0.26) × 10⁻¹⁰ m²/s.

Conclusions:

  • Trace amines, particularly TA, can permeate cell membranes, supporting their role as neuromodulators.
  • Significant energy barriers exist for trace amine membrane passage, suggesting diffusion is not entirely passive.
  • Further computational work is needed to accurately predict trace amine permeability coefficients across membranes.