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    Solid-State Competitive Destabilization of Caffeine Malonic Acid cocrystal: Mechanistic and Kinetic Investigation

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    Publication date
    2020-12-02
    Author
    Alsirawan, M.B.
    Lai, X.
    Prohens, R.
    Vangala, Venu R.
    Pagire, Sudhir K.
    Petroc, S.
    Bannan, T.J.
    Topping, D.O.
    Paradkar, Anant R.
    Keyword
    Cocrystal, destabilisation kinetics, model fitting
    Cocrystal
    Destabilisation kinetics
    Model fitting
    Rights
    (c) 2020 ACS. Full-text reproduced in accordance with the publisher's self-archiving policy.
    Peer-Reviewed
    Yes
    Open Access status
    Green
    
    Metadata
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    Abstract
    The 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.
    URI
    http://hdl.handle.net/10454/18305
    Version
    Accepted manuscript
    Citation
    Alsirawan 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.
    Link to publisher’s version
    https://doi.org/10.1021/acs.cgd.0c01246
    Type
    Article
    Collections
    Engineering and Digital Technology Publications

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