Protein-polyelectrolyte cluster formation and redissolution: A Monte Carlo study

• Aqueous solutions of proteins and oppositely charged polyelectrolytes were studied at different polyelectrolyte chain length, ionic strength, and protein-protein interaction potential as a function of the polyelectrolyte concentration. One of the protein models used represented lysozyme in aqueous environment. The model systems were solved by Monte Carlo simulations, and their properties were analyzed in terms of radial distribution functions, structure factors, and cluster composition probabilities. In the system with the strongest electrostatic protein-polyelectrolyte interaction the largest clusters were formed near or at equivalent amount of net protein charge and polyelectrolyte charge, whereas in excess of polyelectrolyte a redissolution appeared. Shorter polyelectrolyte chains and increased ionic strength lead to weaker cluster formation. An inclusion of nonelectrostatic protein-protein attraction promoted the protein-polyelectrolyte cluster formation.

Ämnesord

NATURVETENSKAP  -- Kemi -- Fysikalisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Physical Chemistry (hsv//eng)

Nyckelord

LINEAR CHARGE-DENSITY

CATIONIC POLYELECTROLYTES

BRIDGING FLOCCULATION

MACROION COMPLEXATION

CHAIN FLEXIBILITY

SIMULATIONS

LYSOZYME

MICELLES

ADSORPTION

PARTICLES

Publikations- och innehållstyp

ref (ämneskategori)

art (ämneskategori)