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Secondary-structure phase formation for semiflexible polymers by bifurcation in hyperphase space
Dilimulati Aierken1,2,3, Michael Bachmann3
1Department of Chemical and Biological Engineering, Princeton University, Princeton, NJ 08544, USA.
Physical Chemistry Chemical Physics : PCCP
|November 3, 2023
Summary
A new analysis method reveals a mixed structural phase in semiflexible polymers, crucial for understanding macromolecule function under physiological conditions by balancing stability and variability.
Area of Science:
- Polymer physics
- Statistical mechanics
- Biophysics
Background:
- Canonical analysis is standard for phase transition studies.
- It lacks sensitivity for closely spaced transitions.
- New methods are needed for complex systems.
Purpose of the Study:
- Introduce and apply generalized microcanonical inflection-point analysis.
- Identify and classify phase transitions in polymer models.
- Characterize a novel intermediate phase in semiflexible polymers.
Main Methods:
- Generalized microcanonical inflection-point analysis.
- Coarse-grained modeling of semiflexible polymers.
- Analysis of phase transitions in hyperspace (temperature, bending stiffness).
Main Results:
- Identified a mixed structural phase dominated by hairpins and loops.
- This phase exists between random-coil and toroidal phases.
- The phase arises from a bifurcation in inverse temperature and bending stiffness.
Conclusions:
- Generalized microcanonical inflection-point analysis resolves previously indistinguishable transitions.
- A novel intermediate phase highlights the importance of entropic and energetic balance.
- Findings are relevant for functional macromolecules under physiological conditions.
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