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000904484 1001_ $$0P:(DE-Juel1)161191$$aKumar, Vijesh$$b0
000904484 245__ $$aRobust mechanistic modeling of protein ion-exchange chromatography
000904484 260__ $$aAmsterdam [u.a.]$$bElsevier$$c2021
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000904484 520__ $$aMechanistic models for ion-exchange chromatography of proteins are well-established and a broad consensus exists on most aspects of the detailed mathematical and physical description. A variety of specializations of these models can typically capture the general locations of elution peaks, but discrepancies are often observed in peak position and shape, especially if the column load level is in the non-linear range. These discrepancies may prevent the use of models for high-fidelity predictive applications such as process characterization and development of high-purity and -productivity process steps. Our objective is to develop a sufficiently robust mechanistic framework to make both conventional and anomalous phenomena more readily predictable using model parameters that can be evaluated based on independent measurements or well-accepted correlations. This work demonstrates the implementation of this approach for industry-relevant case studies using both a model protein, lysozyme, and biopharmaceutical product monoclonal antibodies, using cation-exchange resins with a variety of architectures (SP Sepharose FF, Fractogel EMD SO3−, Capto S and Toyopearl SP650M). The modeling employs the general rate model with the extension of the surface diffusivity to be variable, as a function of ionic strength or binding affinity. A colloidal isotherm that accounts for protein-surface and protein-protein interactions independently was used, with each characterized by a parameter determined as a function of ionic strength and pH. Both of these isotherm parameters, along with the variable surface diffusivity, were successfully estimated using breakthrough data at different ionic strengths and pH. The model developed was used to predict overloads and elution curves with high accuracy for a wide variety of gradients and different flow rates and protein loads. The in-silico methodology used in this work for parameter estimation, along with a minimal amount of experimental data, can help the industry adopt model-based optimization and control of preparative ion-exchange chromatography with high accuracy.
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000904484 7001_ $$0P:(DE-Juel1)139548$$aLeweke, Samuel$$b1
000904484 7001_ $$0P:(DE-Juel1)165915$$aHeymann, William$$b2
000904484 7001_ $$0P:(DE-Juel1)129081$$avon Lieres, Eric$$b3
000904484 7001_ $$0P:(DE-HGF)0$$aSchlegel, Fabrice$$b4
000904484 7001_ $$0P:(DE-HGF)0$$aWesterberg, Karin$$b5
000904484 7001_ $$0P:(DE-HGF)0$$aLenhoff, Abraham M.$$b6$$eCorresponding author
000904484 77318 $$2Crossref$$3journal-article$$a10.1016/j.chroma.2021.462669$$bElsevier BV$$d2021-12-01$$p462669$$tJournal of Chromatography A$$v1660$$x0021-9673$$y2021
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