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  • Title: Interaction between β-Lactoglobuline and Weak Polyelectrolyte Chains: A Study Using Monte Carlo Simulation.
    Author: Torres PB, Quiroga E, Ramirez-Pastor AJ, Boeris V, Narambuena CF.
    Journal: J Phys Chem B; 2019 Oct 17; 123(41):8617-8627. PubMed ID: 31557031.
    Abstract:
    Complexation between the β-lactoglobulin and a weak acid polyelectrolyte (PE) has been studied using Monte Carlo simulations. Different coarse-grained models were used to represent the system, and two different acidic constants were used on the PE model. The protein-PE interaction is quantified considering the average PE monomers adsorbed on the protein as a function of pH. A maximum in the interaction between macromolecules was found, which is explained as a function of the titration behavior of the β-lactoglobuline and weak PE. We also found that there was a direct relation between the pH range of monomers adsorbed and the change on dissociation profile of the protein and weak PE compared to isolated conditions. The complexation of protein-PE increased both the dissociation degree of the PE chain and the protein net charge. This benefits the monomer adsorption on the protein surface.
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