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Lattice stretching bistability and dynamic heterogeneity.

P L Christiansen1, A V Savin, A V Zolotaryuk

  • 1Department of Informatics, Technical University of Denmark, Kgs. Lyngby, Denmark.

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Summary

A novel lattice model explains the force-stretching plateau in macromolecules like DNA. It reveals how chain conformation changes, driven by specific potentials and couplings, create this plateau.

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Area of Science:

  • Biophysics
  • Polymer Physics
  • Computational Biology

Background:

  • Macromolecules exhibit unique force-stretching behaviors, including plateaus, crucial for their function.
  • Understanding these behaviors requires models that capture complex inter-atomic interactions.

Purpose of the Study:

  • To develop a one-dimensional lattice model explaining the force-stretching plateau observed in macromolecules.
  • To investigate the role of nearest-neighbor Morse-like potentials and second-neighbor harmonic coupling.

Main Methods:

  • A simple one-dimensional lattice model with specific potential interactions was developed.
  • The model simulates external stretching and analyzes conformational changes.
  • Topological solitons were used to describe transitions between conformations.

Main Results:

  • The model predicts a heterogeneous structure with single-well and double-well potentials under weak second-neighbor coupling.
  • This heterogeneous structure explains the plateau in force-extension diagrams for DNA and alpha-helix proteins.
  • Soliton dynamics were analyzed in detail, revealing transitions between bistable ground states.

Conclusions:

  • The proposed lattice model successfully explains the force-stretching plateau phenomenon in macromolecules.
  • The model highlights the importance of specific potential interactions and coupling strengths in determining macromolecular behavior.
  • This work provides a theoretical framework for understanding the mechanical properties of biopolymers.