Related Experiment Video
Updated: Jun 1, 2026

In vitro Digestion of Emulsions in a Single Droplet via Multi Subphase Exchange of Simulated Gastrointestinal Fluids
Published on: November 18, 2022
Intermolecular interaction of coreopsin with β-lactoglobulin at varied pH values: Experiment, dynamics simulation and
Xue Zhang1, Zihan Qu1, Yuxin Cui1
1The College of Chemistry, Changchun Normal University, Changchun 130032, China.
None:
In this investigation, underlying intermolecular interaction of coreopsin and β-Lactoglobulin (β-Lg) under various pH values were explored using multiexperiments, dynamics simulation and independent gradient model (IGM). Fluorescence analysis indicated that coreopsin interacted with β-Lg mainly through hydrogen bonds and van der Waals forces, which were validated by IGM, and molecular mechanics poisson boltzmann surface area (mm-PBSA) results. Based on multispectral and zeta potential-particle size analyses, the binding of coreopsin to β-Lg induced significant alterations in the conformation, crystallinity, charge distribution and particle size. Molecular simulations revealed obvious differences in the binding sites of coreopsin toward monomer, dimer and tetramer, thereby resulting in diverse dynamics behaviors. The mm-PBSA analysis indicated that residues PRO38, GLN59 and LYS138 contributed greatly to electrostatic energy during the binding of coreopsin with monomer, dimer, and tetramer, respectively. Several amino acid residues maintained the stability of complexes by providing van der Waals energy.
Related Concept Videos
Intermolecular Forces in Solutions
When the strengths of the intermolecular forces of attraction between solute and solvent species in a solution are no different than those present in the separated components, the solution is formed with no accompanying energy change. Such a solution is called an ideal solution. A mixture of ideal gases (or gases such as helium and argon,...
Chemical and Solubility Equilibria
Intermolecular Forces
Intermolecular Forces
Comparing Intermolecular Forces: Melting Point, Boiling Point, and Miscibility
Temporary attractive forces like dispersion are present in all molecules, whether they are polar or nonpolar. They...
Energetics of Solution Formation
When the strengths of the intermolecular forces of attraction between solute and solvent species in a solution are no different than those present in the separated components, the solution is formed with no accompanying energy change. Formation of the solution requires the solute–solute and solvent–solvent electrostatic forces to...

