Abstract

The adsorption of a single collapsed homopolymer onto a planar smooth surface in shear flow is investigated by means of Brownian hydrodynamics simulation. While cohesive intra-polymer forces are modeled by Lennard-Jones potentials, surface-monomer interactions are described by stochastic bonds whose two-state kinetics is characterized by three parameters: bond formation rate, bond dissociation rate and an effective catch bond parameter that describes how the force acting on a surface-monomer bond influences the dissociation rate. We construct adsorption state diagrams as a function of shear rate and all three surface-monomer bond parameters. We find shear-induced adsorption in a small range of parameters for low dissociation and association rates and only when the surface-monomer bond is near the transition between slip and catch bond behavior. By mapping on a simple surface-monomer interaction model with conservative pair potentials we try to estimate the conservative potential parameters necessary to observe shear-induced surface adsorption phenomena.

Highlights

  • Some biological bonds exhibit prolonged lifetimes in the presence of tensile forces, a counter-intuitive phenomenon referred to as catch bond behavior [1,2]

  • While cohesive intra-polymer forces are modeled by Lennard-Jones potentials, surface-monomer interactions are described by stochastic bonds whose two-state kinetics is characterized by three parameters: bond formation rate, bond dissociation rate and an effective catch bond parameter that describes how the force acting on a surface-monomer bond influences the dissociation rate

  • The present study is motivated by the blood protein von Willebrand Factor (VWF), which plays a key role in hemostasis [11] by unfolding and activation at elevated shear rates and subsequent binding to the vessel wall [11,12,13]

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Summary

Introduction

Some biological bonds exhibit prolonged lifetimes in the presence of tensile forces, a counter-intuitive phenomenon referred to as catch bond behavior [1,2]. We study the adsorption of globular polymers by stochastic two-state surface-monomer bonds, which is a model that for particular parameter values was previously shown to lead to shear-induced adsorption [17]. Similar models with simple two-state kinetics have proven useful in a number of studies since it is relatively straightforward to include the force-dependent bond stability in a heuristic manner so that either slip or catch bond behavior is obtained [17,18,19,20,21]. We present adsorption state diagrams as a function of shear rate, the surface-monomer bond dissociation and association rates and an effective catch bond parameter that describes the continuous change from slip to catch bond behavior.

Simulation method
Results
Varying catch bond parameter at fixed adsorption and desorption rates
Varying adsorption and desorption rates at fixed catch bond parameter
Initial condition and reversibility
Mapping between stochastic two-state models and conservative potential models
Dissociation rate in a one-dimensional corrugated potential
Mobility in a one-dimensional corrugated potential
Summary and conclusion
Full Text
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