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Non-Markov bond model for dynamic force spectroscopy
Jakob Tómas Bullerjahn1, Sebastian Sturm1, Klaus Kroy1
1Universität Leipzig, Institut für Theoretische Physik, Postfach 100 920, 04009 Leipzig, Germany.
The Journal of Chemical Physics
|February 17, 2020
Summary
This study reveals that "hidden modes" in molecular dynamics explain anomalous bond-breaking kinetics in force spectroscopy. The new theory accurately predicts experimental results, especially at high loading rates.
Area of Science:
- Chemical Physics
- Biophysics
- Materials Science
Background:
- Conventional single-molecule force spectroscopy analysis uses a simplified 1D model.
- This model fails to explain anomalous bond-breaking kinetics like non-exponential bond lifetime distributions.
Purpose of the Study:
- To develop a more rigorous theoretical framework for analyzing single-molecule force spectroscopy data.
- To explain the origins of anomalous bond-breaking kinetics observed experimentally and in simulations.
Main Methods:
- Extended the 1D diffusion model to include transient dynamics of coupled degrees of freedom ('hidden modes').
- Derived exact analytical expressions for key observables in two asymptotic limits.
- Investigated the influence of hidden mode relaxation spectra and loading protocols.
Main Results:
- Anomalous kinetics, including apparent static and dynamic disorder, arise naturally from hidden mode dynamics.
- Exact analytical solutions were found for mean rupture force and rupture-force distribution in specific limits.
- The theory accurately describes rapid force spectroscopy, bypassing the Markov assumption.
Conclusions:
- The extended theory provides a microscopically consistent explanation for complex bond-breaking behaviors.
- The findings offer a more accurate analytical tool for interpreting single-molecule force spectroscopy experiments.
- The developed framework is particularly powerful for analyzing high loading rate regimes.
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