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Advisor(s)
Abstract(s)
This work studies the formation of deep eutectic solvents formed by one active pharmaceutical ingredient
(quinine, pyrimethamine, or 2-phenylimidazopyridine) and a second component potentially acting as an
excipient (betaine, choline chloride, tetramethylammonium chloride, thymol, menthol, gallic acid, vanillin,
acetovanillone, 4-hydroxybenzaldehyde, syringaldehyde, propyl gallate, propylparaben, or butylated hydroxyanisole),
aiming to address challenges regarding drug solubility, bioavailability, and permeability. A preliminary
screening was carried out using the thermodynamic model COSMO-RS, narrowing down the search to
three promising excipients (thymol, propyl gallate, and butylated hydroxyanisole). Nine solid–liquid equilibrium
(SLE) phase diagrams were experimentally measured combining the three model drugs with the screened excipients,
and using a combination of a visual melting method and differential scanning calorimetry. Negative
deviations from thermodynamic ideality were observed in all nine systems. Furthermore, a total of four new
cocrystals were found, with powder and single crystal X-ray diffraction techniques being employed to verify their
unique diffraction patterns. In the thermodynamic modelling of the SLE diagrams, two COSMO-RS parametrizations
(TZVP and TZVPD-FINE) were also applied, though neither consistently delivered a better description
over the other.
Description
Keywords
Active pharmaceutical ingredients Deep eutectic solvents XRD COSMO-RS Solid–liquid equilibria
Pedagogical Context
Citation
Teixeira, Gabriel; Brandão, Paula; Ferreira, Ana I.M.C.Lobo; Abranches, Dinis O.; Santos, Luís M.N.B.F.; Ferreira, Olga; Coutinho, João A.P. (2024). Designing type V deep eutectic solvents with antimalarial pharmaceutical ingredients. European Journal of Pharmaceutics and Biopharmaceutics. ISSN 0939-6411. 203, p. 1-12
Publisher
Elsevier