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Contact Kinetics in Fractal Macromolecules.

Maxim Dolgushev1, Thomas Guérin2, Alexander Blumen1

  • 1Physikalisches Institut, Universität Freiburg, Hermann-Herder-Strasse 3, 79104 Freiburg, Germany.

Physical Review Letters
|November 28, 2015
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Summary
This summary is machine-generated.

We developed a fractal model to calculate the mean first contact time between macromolecule monomers. This method reveals a simple scaling relation independent of molecular details, confirmed by simulations.

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Area of Science:

  • Polymer Physics
  • Statistical Mechanics
  • Computational Chemistry

Background:

  • Understanding macromolecule dynamics is crucial for polymer science.
  • First contact kinetics between monomers influences polymer properties and reactions.
  • Existing models often overlook non-Markovian effects in monomer motion.

Purpose of the Study:

  • To develop an analytical method for computing the mean first contact time between two monomers of the same macromolecule.
  • To investigate the influence of macromolecule structure on monomer contact kinetics.
  • To establish a general scaling relation for first contact time.

Main Methods:

  • Utilized a fractal description of the macromolecule.
  • Developed an analytical method to compute mean first contact time.
  • Incorporated non-Markovian monomer motion via nonequilibrium conformations.
  • Validated theoretical predictions with numerical stochastic simulations.

Main Results:

  • Derived a simple scaling relation for mean first contact time.
  • The relation depends only on equilibrium distance and spectral dimension.
  • The scaling is independent of microscopic molecular details.
  • Theoretical predictions show excellent agreement with simulation results.

Conclusions:

  • The fractal description provides an effective framework for macromolecule kinetics.
  • A universal scaling law governs monomer first contact time.
  • The model accurately captures complex monomer dynamics and interactions.