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dc.contributor.authorAlsirawan, M.B.
dc.contributor.authorLai, X.
dc.contributor.authorProhens, R.
dc.contributor.authorVangala, Venu R.
dc.contributor.authorPagire, S.K.
dc.contributor.authorPetroc, S.
dc.contributor.authorBannan, T.J.
dc.contributor.authorTopping, D.O.
dc.contributor.authorParadkar, Anant R.
dc.date.accessioned2021-01-12T08:53:55Z
dc.date.accessioned2021-01-13T07:58:02Z
dc.date.available2021-01-12T08:53:55Z
dc.date.available2021-01-13T07:58:02Z
dc.date.issued2020-12-02
dc.identifier.citationAlsirawan MB, Lai X, Prohens R et al (2020) Solid-State Competitive Destabilization of Caffeine Malonic Acid cocrystal: Mechanistic and Kinetic Investigation. Crystal Growth and Design. 20(12): 7598-7605.en_US
dc.identifier.urihttp://hdl.handle.net/10454/18305
dc.descriptionYesen_US
dc.description.abstractThe main objective of this research is to investigate solid-state destabilization mechanism and kinetics of the model cocrystal caffeine : malonic acid (CA:MO) in presence of oxalic acid (OX) as a structural competitor. Competitive destabilization of CA:MO and subsequent formation of CA:OX takes place at temperatures significantly below its melting point. Destabilization mechanism was found to be mediated by sublimation of both CA:MO and OX. During CA:MO destabilization, free CA could not be detected and direct transformation to CA:OX cocrystal was observed. The destabilization kinetics follow Prout-Tompkins nucleation and crystal growth model with activation energy of 133.91 kJ/mol and subsequent CA:OX growth kinetic follow Ginstling – Brounshtien diffusion model with activation energy of kJ/mol.en_US
dc.language.isoenen_US
dc.publisherAmerican Chemical Society
dc.relation.isreferencedbyhttps://doi.org/10.1021/acs.cgd.0c01246en_US
dc.rights(c) 2020 ACS. Full-text reproduced in accordance with the publisher's self-archiving policy.en_US
dc.subjectCocrystal, destabilisation kinetics, model fittingen_US
dc.subjectCocrystalen_US
dc.subjectDestabilisation kineticsen_US
dc.subjectModel fittingen_US
dc.titleSolid-State Competitive Destabilization of Caffeine Malonic Acid cocrystal: Mechanistic and Kinetic Investigationen_US
dc.status.refereedYesen_US
dc.date.Accepted2020-10-27
dc.date.application2020-10-27
dc.typeArticleen_US
dc.date.EndofEmbargo2021-10-28
dc.type.versionAccepted manuscripten_US
dc.description.publicnotesThe full-text of this article will be released for public view at the end of the publisher embargo on 28 Oct 2021.en_US
dc.date.updated2021-01-12T08:53:59Z
refterms.dateFOA2021-01-13T08:44:48Z
dc.openaccess.statusGreenen_US


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