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Entropy of Charge Inversion in DNA including One-Loop Fluctuations
Matthew D Sievert1, Marilyn F Bishop2, Tom McMullen2
1Department of Physics, New Mexico State University, Las Cruces, NM 88003-8001, USA.
Entropy (Basel, Switzerland)
|October 28, 2023
Summary
Fluctuations in polyelectrolyte models significantly reduce entropy, even below non-interacting levels. This finding impacts understanding DNA charge condensation in solutions.
Area of Science:
- Biophysics
- Physical Chemistry
- Computational Biology
Background:
- DNA in charged solutions exhibits complex behavior like charge inversion and condensation.
- Polyelectrolytes play a crucial role in these observed phenomena.
- Understanding these interactions requires advanced theoretical models.
Purpose of the Study:
- To calculate entropy and charge distributions for polyelectrolytes on DNA.
- To investigate the impact of fluctuations beyond mean-field theory.
- To model polyelectrolyte adsorption using a lattice gas approach.
Main Methods:
- Field-theoretic method incorporating one-loop order fluctuations.
- Lattice gas model for doubly charged polyelectrolyte dimers.
- Calculation of entropy and charge distributions.
Main Results:
- Fluctuation terms decreased entropy by approximately 50% in the weak-binding regime.
- Repulsion between dimers and DNA competed with chemical potential.
- Entropy reduction due to correlations significantly lowered total entropy.
Conclusions:
- Fluctuations play a critical role in polyelectrolyte-DNA interactions.
- The model provides insights into entropy changes driven by correlations.
- The methodology can be extended to more complex, realistic models.
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