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Polymorphism Control of Carbamazepine Based on Deep Eutectic Solvents.

Xian Sun1, Shuai Yu2,3, Chunmei Lv4

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Researchers successfully synthesized a new crystal form (VI) of carbamazepine (CBZ) using deep eutectic solvents (DESs). This study demonstrates DES

Keywords:
carbamazepine (CBZ)crystal form controlcrystal habitdeep eutectic solvents (DEss)

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Area of Science:

  • Solid-state chemistry
  • Materials science
  • Pharmaceutical sciences

Background:

  • Carbamazepine (CBZ) exhibits polymorphism, existing in various crystal forms and hydrates.
  • Controlling crystal form and morphology is crucial for drug efficacy and formulation.

Purpose of the Study:

  • To investigate the effects of deep eutectic solvents (DESs) on the crystal form and morphology of carbamazepine (CBZ).
  • To explore the potential of DES systems for regulating CBZ crystallization.

Main Methods:

  • Determining CBZ solubility in various DES mass ratios.
  • Preparing and analyzing single crystals of CBZ crystal form VI.
  • Utilizing computational methods including molecular electrostatic potential surface (MEPS), Hirshfeld surface (HS), and molecular dynamics (MD) calculations.

Main Results:

  • Carbamazepine crystal form VI was successfully obtained under specific experimental conditions.
  • The composition and mass ratio of DES in methanol, along with supersaturation, influenced the morphology of form VI.
  • Differences between the new crystal form and existing CBZ polymorphs were analyzed.

Conclusions:

  • A novel crystal form (VI) of carbamazepine was achieved using a DES solvent system.
  • DES can modify intermolecular interactions, enabling the formation of new crystal forms and morphologies.
  • This research highlights the utility of DES in controlling pharmaceutical solid-state properties.