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dc.creatorAydeef, Alex
dc.creatorFuguet, Elisabet
dc.creatorLlinas, Antonio
dc.creatorRafols, Clara
dc.creatorBosch, Elisabeth
dc.creatorVolgyi, Gergely
dc.creatorVerbić, Tatjana
dc.creatorBoldyreva, Elena
dc.creatorTakacs-Novak, Krisztina
dc.date.accessioned2018-11-22T00:35:52Z
dc.date.available2018-11-22T00:35:52Z
dc.date.issued2016
dc.identifier.issn1848-7718
dc.identifier.urihttp://cherry.chem.bg.ac.rs/handle/123456789/2232
dc.description.abstractThis commentary addresses data quality in equilibrium solubility measurement in aqueous solution. Broadly discussed is the "gold standard" shake-flask (SF) method used to measure equilibrium solubility of ionizable drug-like molecules as a function of pH. Many factors affecting the quality of the measurement are recognized. Case studies illustrating the analysis of both solution and solid state aspects of solubility measurement are presented. Coverage includes drug aggregation in solution (sub-micellar, micellar, complexation), use of mass spectrometry to assess aggregation in saturated solutions, solid state characterization (salts, polymorphs, cocrystals, polymorph creation by potentiometric method), solubility type (water, buffer, intrinsic), temperature, ionic strength, pH measurement, buffer issues, critical knowledge of the pK(a), equilibration time (stirring and sedimentation), separating solid from saturated solution, solution handling and adsorption to untreated surfaces, solubility units, and tabulation/ graphic presentation of reported data. The goal is to present cohesive recommendations that could lead to better assay design, to result in improved quality of measurements, and to impart a deeper understanding of the underlying solution chemistry in suspensions of drug solids.en
dc.publisherIapc Publishing, Zagreb
dc.rightsopenAccess
dc.sourceADMET AND DMPK
dc.subjectshake-flask solubilityen
dc.subjectintrinsic solubilityen
dc.subjectwater solubilityen
dc.subjectbuffer solubilityen
dc.subjectthermodynamic solubilityen
dc.subjectBjerrum curveen
dc.subjectCheqSolen
dc.subjectPotentiometric Cycling for Polymorph Creationen
dc.subjectHenderson-Hasselbalcen
dc.titleEquilibrium solubility measurement of ionizable drugs - consensus recommendations for improving data qualityen
dc.typearticle
dc.rights.licenseBY
dcterms.abstractБосцх, Елисабетх; Волгyи, Гергелy; Ayдееф, Aлеx; Рафолс, Цлара; Вербић, Татјана; Такацс-Новак, Крисзтина; Болдyрева, Елена; Фугует, Елисабет; Ллинас, Aнтонио;
dc.citation.volume4
dc.citation.issue2
dc.citation.spage117
dc.citation.epage178
dc.identifier.wos000447337700007
dc.identifier.doi10.5599/admet.4.2.292
dc.citation.other4(2): 117-178
dc.type.versionpublishedVersion
dc.identifier.scopus2-s2.0-85019028134
dc.identifier.fulltexthttp://cherry.chem.bg.ac.rs/bitstream/id/9232/2230.pdf
dc.identifier.rcubKon_3563


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