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April 3, 2026SHILAP Revista de lepidopterología0 citationsOpen Access

Behaviour of the model antibody fluid constrained by rigid spherical obstacles: effects of the obstacle-antibody binding

YKYu. KalyuzhnyiTPT. Patsahan

Key Points

  • This research aims to understand how monoclonal antibodies behave in a crowded, porous medium influenced by adhesive obstacles.
  • Developed a model representing antibodies as Y-shaped particles with hard spheres and attractive patches.
  • Applied Wertheim’s multidensity thermodynamic perturbation theory and scaled particle theory.
  • Analyzed thermodynamic properties, percolation thresholds, and phase behavior using computer simulations.
  • Observed complex phase behavior including re-entrant phase separation at higher temperatures.
  • Identified conventional liquid-gas separation at lower temperatures.
  • Found that antibody-antibody and antibody-matrix interactions significantly influence phase formation.

Abstract

We study a simplified model of monoclonal antibodies confined in a patchy random porous medium. Antibodies are represented as Y-shaped particles composed of seven tangential hard spheres with attractive patches on the terminal beads, while the matrix consists of randomly distributed hard-sphere obstacles bearing adhesive sites. The model captures antibody behavior in crowded biological environments with strong short-range antibodymatrix attractions. The theoretical approach combines Wertheim’s multidensity thermodynamic perturbation theory, the Flory-Stockmayer theory of polymerization, and scaled particle theory for fluids in porous media. We analyze thermodynamic properties, percolation thresholds, and phase behavior, and compare the selected results with new computer simulations. The interplay between antibody-antibody and antibody-matrix interactions produces a complex phase behavior, including re-entrant phase separation with a closed-loop coexistence region at higher temperatures and conventional liqui-gas separation at lower temperatures.

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Cite This Study

Kalyuzhnyi et al. (2026) studied this question.

synapsesocial.com/papers/69cf588f5a333a82146097dahttps://doi.org/10.5488/cmp.29.13403
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