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Electrostatic interaction between long, rigid helical macromolecules at all interaxial angles.

A A Kornyshev1, S Leikin

  • 1Institute for Theoretical Physics, University of California at Santa Barbara, Santa Barbara, California 93106, USA.

Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
|November 23, 2000
PubMed
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This study presents formulas for electrostatic interactions between charged macromolecules, particularly helical structures like DNA. It explains how their alignment and charge patterns influence interaction energy and torque, impacting phase transitions.

Area of Science:

  • Physical Chemistry
  • Biophysics
  • Materials Science

Background:

  • Understanding electrostatic interactions between macromolecules is crucial for predicting their assembly and behavior.
  • The influence of molecular geometry, such as helical structures, and surface charge distribution on these interactions is complex.
  • Existing models often lack the ability to account for arbitrary orientations and charge patterns.

Purpose of the Study:

  • To derive general formulas for the electrostatic interaction energy between two long, rigid macromolecules with arbitrary surface charge patterns and interaxial angles.
  • To investigate the dependence of interaction energy on interaxial angle, separation, and charge pattern alignment.
  • To specifically analyze interactions involving helical charge patterns, including net-neutral and charged helices in different media.

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Main Methods:

  • Derivation of analytical formulas for electrostatic interaction energy.
  • Calculation of interaction energy dependence on geometric parameters and charge distribution.
  • Application of derived formulas to model interactions between idealized DNA-like double helices.

Main Results:

  • Exact expression for interaction energy between net-neutral helices in a nonpolar medium.
  • Approximate (exact at large separations) result for charged helices in electrolyte solutions.
  • Demonstration of molecular chirality inducing torque, affecting helix alignment, with nontrivial behavior at small interaxial angles.

Conclusions:

  • The derived formulas provide a comprehensive framework for understanding electrostatic interactions between complex macromolecules.
  • The study explains torque-induced alignment and offers a mechanism for cholesteric-to-columnar phase transitions in DNA aggregates.
  • Provides insights into the macroscopic pitch of cholesteric B-DNA phases based on electrostatic interactions.