Experimental and theoretical studies on the Sulfamethazine-Urea and Sulfamethizole-Urea solid-liquid equilibria - Publication - MOST Wiedzy

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Experimental and theoretical studies on the Sulfamethazine-Urea and Sulfamethizole-Urea solid-liquid equilibria

Abstract

The miscibility of active pharmaceutical ingredients with excipients is an important aspect in pharmaceutical technology protocols. In this study, the differential scanning calorimetry (DSC) was used for Sulfamethazine-Urea (SI–U) and Sulfamethizole-Urea (SO–U) solid-liquid phase diagrams determination. Both sulfonamides form simple binary eutectics with Urea. The lack of new co-crystal phase formation was confirmed by inspection of the powder x-ray diffractometry (PXRD) and attenuated total reflectance-Fourier-transform infrared spectroscopy (FTIR-ATR) measurements of the co-grinded mixtures. Despite the limited solid-state miscibility, a quantum-chemical calculations along with post-quantum thermodynamic characteristics performed using Conductor-like Screening Model for Realistic Solvents (COSMO-RS), have shown very high affinity of Sulfamethazine and Sulfamethizole to Urea in the liquid phase. However, the most significant contributions to the overall stabilization and solvation comes from self-association of sulfa-drugs. Noteworthy, a different hydrogen patterns are responsible for SI and SO dimerization since in the former case a cyclic C22(8) synthon occurs while in the latter linear hydrogen bonding motif is observed. The phase diagrams were modelled using different approaches including λh-equation, NRTL and Wilson and the corresponding parameters values were determined via non-linear fitting procedure. It was found that λh-equation has the highest predictive potential leading to very accurate reproduction of experimental results.

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Authors (5)

  • Photo of  Piotr Cysewski

    Piotr Cysewski

  • Photo of  Patrycja Walczak

    Patrycja Walczak

  • Photo of  Dorota Ziółkowska

    Dorota Ziółkowska

  • Photo of  Izabela Grela

    Izabela Grela

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Details

Category:
Magazine publication
Type:
Magazine publication
Published in:
JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY no. 61,
ISSN: 1773-2247
ISSN:
1773-2247
Publication year:
2021
DOI:
Digital Object Identifier (open in new tab) 10.1016/j.jddst.2020.102186
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