Heat transport model for the deliquescence kinetics of crystalline ingredients and mixtures

Li, Na; Taylor, Lynne S.; Mauer, Lisa J.

doi:10.1016/j.jfoodeng.2015.08.013

Cited by 4 publications

(3 citation statements)

References 22 publications

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“…In general, water can interact with solids via adsorption, absorption, capillary condensation, crystal hydration, and deliquescence. 39 In our experiments, the observed degradation was fastest when deliquescence occurred. Deliquescence, the adsorption of water onto the CA crystal and the subsequent partial dissolution of the crystal, is an effect that is able to generate a very close contact between the API and the excipient.…”

Section: Molecular Pharmaceuticssupporting

confidence: 50%

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Drug–Excipient Interactions in the Solid State: The Role of Different Stress Factors

et al. 2017

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Understanding properties and mechanisms that govern drug degradation in the solid state is of high importance to ensure drug stability and safety of solid dosage forms. In this study, we attempt to understand drug-excipient interactions in the solid state using both theoretical and experimental approaches. The model active pharmaceutical ingredients (APIs) under study are carvedilol (CAR) and codeine phosphate (COP), which are known to undergo esterification with citric acid (CA) in the solid state. Starting from the crystal structures of two different polymorphs of each compound, we calculated the exposure and accessibility of reactive hydroxyl groups for a number of relevant crystal surfaces, as well as descriptors that could be associated with surface stabilities using molecular simulations. Accelerated degradation experiments at elevated temperature and controlled humidity were conducted to assess the propensity of different solid forms of the model APIs to undergo chemical reactions with anhydrous CA or CA monohydrate. In addition, for CAR, we studied the solid state degradation at varying humidity levels and also under mechano-activation. Regarding the relative degradation propensities, we found that variations in the exposure and accessibility of molecules on the crystal surface play a minor role compared to the impact of molecular mobility due to different levels of moisture. We further studied drug-excipient interactions under mechano-activation (comilling of API and CA) and found that the reaction proceeded even faster than in physical powder mixtures kept at accelerated storage conditions.

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Section: Molecular Pharmaceuticssupporting

confidence: 50%

“…Our results clearly show, that a small amount of water is needed for the degradation to take place. In general, water can interact with solids via adsorption, absorption, capillary condensation, crystal hydration, and deliquescence . In our experiments, the observed degradation was fastest when deliquescence occurred.…”

Section: Discussionmentioning

confidence: 56%

Drug–Excipient Interactions in the Solid State: The Role of Different Stress Factors

et al. 2017

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“…Therefore, extensive investigations of the phase behavior are worthwhile. Li et al investigated the deliquescence kinetics of crystals and crystal mixtures and determined the DRH through the extrapolation vapor-sorption rate to 0, where the deliquescence is about to occur [ 11 ]. Recently, the DRH of deep eutectic systems was experimentally investigated, showing that deliquescence via RH leads to liquification, although the deep eutectic solvent would be solid without the presence of RH [ 12 ].…”

Section: Introductionmentioning

confidence: 99%

Predicting Deliquescence Relative Humidities of Crystals and Crystal Mixtures

2021

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The presence of water in the form of relative humidity (RH) may lead to deliquescence of crystalline components above a certain RH, the deliquescence RH (DRH). Knowing the DRH values is essential, e.g., for the agrochemical industry, food industry, and pharmaceutical industry to identify stability windows for their crystalline products. This work applies the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) to purely predict the DRH of single components (organic acids, sugars, artificial sweeteners, and amides) and multicomponent crystal mixtures thereof only based on aqueous solubility data of the pure components. The predicted DRH values very well agree with the experimental ones. In addition, the temperature influence on the DRH value could be successfully predicted with PC-SAFT. The DRH prediction also differentiates between formation of hydrates and anhydrates. PC-SAFT-predicted phase diagrams of hydrate-forming components illustrate the influence of additional components on the hydrate formation as a function of RH. The DRH prediction via PC-SAFT allows for the determining of the stability of crystals and crystal mixtures without the need for time-consuming experiments.

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Water–Solid Interactions in Food Ingredients and Systems

Mauer

2020

Water Activity in Foods

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Heat transport model for the deliquescence kinetics of crystalline ingredients and mixtures

Cited by 4 publications

References 22 publications

Drug–Excipient Interactions in the Solid State: The Role of Different Stress Factors

Drug–Excipient Interactions in the Solid State: The Role of Different Stress Factors

Predicting Deliquescence Relative Humidities of Crystals and Crystal Mixtures

Water–Solid Interactions in Food Ingredients and Systems

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