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Continuum Crystallization Model Derived from Pharmaceutical Crystallization Mechanisms.

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Understanding organic molecule crystallization is key. This study reveals diverse pathways for ibuprofen and etoricoxib, proposing a continuum model for crystallization mechanisms.

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Area of Science:

  • Physical Chemistry
  • Materials Science
  • Chemical Engineering

Background:

  • Crystallization mechanisms of organic molecules in solution remain poorly understood.
  • Classical (direct from solution) and nonclassical (via amorphous intermediates) crystallization pathways are debated.
  • Investigating these mechanisms is crucial for controlling solid-state properties.

Purpose of the Study:

  • To elucidate the crystallization mechanisms of ibuprofen (IbuH) and etoricoxib (ETO) in solution.
  • To differentiate between classical and nonclassical crystallization pathways for these widely used analgesics.
  • To propose a unified model for understanding crystallization diversity.

Main Methods:

  • Direct imaging of crystallization processes using cryogenic transmission electron microscopy (cryo-TEM).
  • Observation of molecular ordering and intermediate phase formation during crystallization.
  • Analysis of phase diversity and evolution in ibuprofen and etoricoxib systems.

Main Results:

  • Ibuprofen (IbuH) exhibited parallel crystallization pathways involving diverse high and low-density phases with instantaneous order formation.
  • Etoricoxib (ETO) crystallization initiated from distinct amorphous intermediates that progressively transformed into crystals.
  • Mechanistic diversity was observed, with IbuH showing more direct crystallization and ETO involving significant amorphous intermediates.

Conclusions:

  • A continuum crystallization paradigm is proposed, unifying classical and nonclassical mechanisms.
  • Crystallization pathways depend on the ordering of initial intermediates and molecular rearrangement efficiency.
  • This model provides a comprehensive framework for understanding diverse organic crystallization behaviors.