Artykuł w czasopiśmie
Brak miniatury
Licencja
CC-BYCC-BY - Uznanie autorstwa
 

Competitive Mechanochemical Solvate Formation of Theophylline in the Presence of Miscible Liquid Mixtures

Uproszczony widok
dc.abstract.enIn this study, we investigated the mechanochemical competitive solvate formation of polymorphic Form II of theophylline in the presence of two solvate/hydrate-forming miscible liquids, namely, water and 2-pyrrolidone. It is known that theophylline transforms into a monohydrate in the presence of water, while 2-pyrrolidone gives a monosolvate or a sesquisolvate, depending on the experimental conditions. Different theophylline-to-liquid molar ratios and several water:2-pyrrolidone mixtures were used to understand the competitive formation and/or transformation between these solvates. Interconversion studies between hydrate/monosolvate/sesquisolvate forms were also conducted. The obtained results suggest that water:2-pyrrolidone mixtures have a detrimental effect on the formation of multicomponent phases, as they dramatically reduce the efficiency of incorporation of both liquids in the crystal. In fact, all milling experiments performed in the presence of water:2-pyrrolidone mixtures suggested that a higher stoichiometric ratio is needed to obtain a pure form of a specific solvate. Importantly, additional competitive milling experiments revealed a preferential inclusion of 2-pyrrolidone over water. Based on several experimental datasets performed, we conclude that the propensity of solvate formation in the presence of liquid mixtures is a consequence of a complex interplaying of physicochemical and kinetic factors.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorPerissutti, Beatrice
dc.contributor.authorHasa, Dritan
dc.contributor.authorZingone, Guglielmo
dc.contributor.authorArhangelskis, Mihails
dc.contributor.authorSpadaro, Martina
dc.contributor.authorD’Abbrunzo, Ilenia
dc.date.accessioned2024-01-24T19:51:42Z
dc.date.available2024-01-24T19:51:42Z
dc.date.copyright2023-10-16
dc.date.issued2023
dc.description.accesstimeAT_PUBLICATION
dc.description.financeNie dotyczy
dc.description.versionFINAL_PUBLISHED
dc.identifier.doi10.1021/ACS.CGD.3C00834
dc.identifier.issn1528-7483
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/103425
dc.identifier.weblinkhttps://pubs.acs.org/doi/pdf/10.1021/acs.cgd.3c00834
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofCrystal Growth & Design
dc.rightsCC-BY
dc.sciencecloudnosend
dc.titleCompetitive Mechanochemical Solvate Formation of Theophylline in the Presence of Miscible Liquid Mixtures
dc.typeJournalArticle
dspace.entity.typePublication