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Vibrational Spectroscopy for Cocrystals Screening. A Comparative Study.

Marisa Rodrigues1, João Lopes2, Mafalda Sarraguça3

  • 1LAQV/REQUIMTE, Departamento de Ciências Químicas, Faculdade de Farmácia, Universidade do Porto, Rua Jorge Viterbo Ferreira, 228, 4050-313 Porto, Portugal. up201305481@fc.up.pt.

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|December 15, 2018
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Summary

This study compares three vibrational spectroscopy techniques for screening pharmaceutical cocrystals. All methods, including mid-infrared, near-infrared, and Raman spectroscopy, effectively identified cocrystal formation and purity.

Keywords:
Raman spectroscopycocrystallization by sonicationmid infrared spectroscopynear infrared spectroscopypharmaceutical cocrystalsscreening

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Area of Science:

  • Pharmaceutical Science
  • Materials Science
  • Analytical Chemistry

Background:

  • Poorly soluble drugs present bioavailability challenges in pharmaceutical formulation.
  • Cocrystallization offers a promising strategy to enhance drug solubility and bioavailability.
  • Efficient screening methods are crucial for identifying novel cocrystal forms.

Purpose of the Study:

  • To evaluate and compare the performance of mid-infrared (MIR), near-infrared (NIR), and Raman spectroscopy for cocrystal screening.
  • To assess the utility of these vibrational spectroscopy techniques in identifying cocrystal formation and purity.
  • To demonstrate a high-throughput slurry cocrystallization method for cocrystal screening.

Main Methods:

  • Slurry cocrystallization in a 96-well plate format using sonication (ultrasound-assisted).
  • Testing of hydrochlorothiazide with six safe coformers at drug:coformer ratios of 1:1 and 1:2.
  • Utilizing seven solvents of varying polarity for the cocrystallization process.
  • Analysis of cocrystal formation and purity using MIR, NIR, and Raman spectroscopy.

Main Results:

  • All three vibrational spectroscopy techniques (MIR, NIR, Raman) successfully provided critical information on cocrystal formation.
  • The techniques offered insights into the specific functional groups involved in cocrystallization.
  • Purity assessment of the formed cocrystals was achievable with the evaluated spectroscopic methods.
  • The study confirmed the suitability of these techniques for efficient cocrystal screening.

Conclusions:

  • Mid-infrared, near-infrared, and Raman spectroscopy are effective tools for screening pharmaceutical cocrystals.
  • These vibrational spectroscopy methods provide valuable data on cocrystal formation, structural insights, and purity.
  • The developed slurry cocrystallization approach combined with vibrational spectroscopy offers a reliable and efficient screening strategy.