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Article Dans Une Revue Journal of Chromatography A Année : 2021

Surface charge distribution: a key parameter for understanding protein behavior in chromatographic processes

Stéphane Mathé
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Isabelle André
Maria Aurora Fernandez
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Résumé

Multi-component adsorption of proteins still requires a better understanding of local phenomena to improve the development of predictive models. In this work, all-atom Molecular Dynamics (MD) simulations were used to investigate the influence of protein charge distribution on the adsorption capacity. The simultaneous adsorption of alpha-chymotrypsin and lysozyme on a cation exchanger, SP Sepharose FF, was studied through MD simulations and compared to macroscopic isotherm experiments. It appears that the charge distribution is a relevant information to better understand specific phenomena, such as a multilayer adsorption caused by the particular electrostatic profile of alpha-chymotrypsin. Therefore, MD simulations seem to be an interesting way to visualize and highlight these behaviors.
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Dates et versions

hal-03269416 , version 1 (18-10-2021)

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Marine Tournois, Stéphane Mathé, Isabelle André, Maria Aurora Fernandez. Surface charge distribution: a key parameter for understanding protein behavior in chromatographic processes. Journal of Chromatography A, 2021, 1648, ⟨10.1016/j.chroma.2021.462151⟩. ⟨hal-03269416⟩
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