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Related Experiment Video

Updated: Jul 5, 2026

Characterization of pH-Dependent Reversible Self-Assembly of Amyloid Beta 1-40-Coated Gold Colloids
08:53

Characterization of pH-Dependent Reversible Self-Assembly of Amyloid Beta 1-40-Coated Gold Colloids

Published on: March 21, 2025

Structural transitions in model beta-sheet tapes.

Giovanni Bellesia1, Maxim V Fedorov, Edward G Timoshenko

  • 1School of Chemistry and Chemical Biology, University College Dublin, Belfield, Dublin 4, Ireland. gbellesia@chem.ucsb.edu

The Journal of Chemical Physics
|May 27, 2008
PubMed
Summary
This summary is machine-generated.

We simulated beta-sheet tapes, revealing how molecular properties drive structural changes between helicoidal, helical, and tubular shapes in amyloid systems. This work connects molecular details to the elastic behavior of these self-assembled structures.

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Area of Science:

  • Biophysics
  • Materials Science
  • Computational Chemistry

Background:

  • Amyloid systems self-assemble into various structures, with beta-sheet tapes being the simplest fibrillar aggregates.
  • Observed geometries include helicoidal, helical, and tubular forms in natural and synthetic peptide assemblies.

Purpose of the Study:

  • To investigate the molecular-scale structural transitions between different geometries in supramolecular beta-sheet tapes.
  • To establish a quantitative link between molecular properties and the elastic parameters of these tapes.

Main Methods:

  • Development of a coarse-grained model for beta-sheet tapes.
  • Inclusion of chiral degrees of freedom and asymmetrical chemical properties in the model.
  • Quantitative characterization of structural transitions using molecular simulations.

Main Results:

  • The proposed model successfully captures the transitions between helicoidal, helical, and tubular geometries.
  • A quantitative relationship was established between the molecular properties of the tapes and their elastic parameters.
  • Simulation results provide insights into the self-assembly mechanisms of amyloid fibrils.

Conclusions:

  • Molecular-scale simulations are effective for understanding structural polymorphism in supramolecular assemblies.
  • The developed model provides a framework for predicting the behavior of beta-sheet tapes.
  • Findings contribute to the understanding of amyloid formation and design of novel self-assembled materials.