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Viedma deracemization mechanisms in self-assembly processes.

Josep M Ribó1, David Hochberg2, Thomas Buhse3

  • 1Department of Organic and Inorganic Chemistry, Institute of Cosmos Science (IEEC-UB), University of Barcelona, E-08028 Barcelona, Catalonia, Spain. jmribo@ub.edu.

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Summary
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Simulations reveal that Viedma deracemization and chiral nanoparticle self-assembly share mechanisms like reversible growth and irreversible cluster breaking. These processes lead to enantioselective autocatalysis and deracemization in closed systems.

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Area of Science:

  • Supramolecular Chemistry
  • Chemical Kinetics
  • Materials Science

Background:

  • Chiral self-assembly of achiral molecules is crucial for creating chiral nanoparticles.
  • Viedma deracemization provides a model for understanding chiral amplification in closed systems.

Purpose of the Study:

  • To investigate common mechanisms between Viedma deracemization and chiral self-assembly.
  • To model the emergence of homochirality in closed systems.

Main Methods:

  • Simulations using an Ordinary Differential Equation (ODE)-based model.
  • Analysis of reversible growth, irreversible cluster breaking (grinding), and polymerization/depolymerization cycles.

Main Results:

  • Identified shared mechanisms including reversible growth and grinding.
  • Demonstrated indirect enantioselective autocatalysis through achiral monomer transformation.
  • Showed deracemization arises from destabilization of racemic states due to entropy production.

Conclusions:

  • The model highlights similarities between Viedma deracemization and chiral nanoparticle formation.
  • Findings offer insights into replicator selectivity and the origin of biological homochirality.