Distinct Antifouling Mechanisms on Different Chain Densities of Zwitterionic Polymers

Abstract

Antifouling polymer coating surfaces are used in widespread industries applications. Zwitterionic polymers have been identified as promising materials in developing polymer coating surfaces. Importantly, the density of the polymer chains is crucial for acquiring superior antifouling performance. This study introduces two different zwitterionic polymer density surfaces by applying molecular modeling tools. To assess the antifouling performance, we mimic static adsorption test, by placing the foulant model bovine serum albumin (BSA) on the surfaces. Our findings show that not only the density of the polymer chain affect antifouling performance, but also the initial orientation of the BSA on the surface. Moreover, at a high-density surface, the foulant either detaches from the surface or anchor on the surface. At low-density surface, the foulant does not detach from the surface, but either penetrates or anchors on the surface. The anchoring and the penetrating mechanisms are elucidated by the electrostatic interactions between the foulant and the surface. While the positively charged ammonium groups of the polymer play major role in the interactions with the negatively charged amino acids of the BSA, in the penetrating mechanism the ammonium groups play minor role in the interactions with the contact with the foulant. The sulfonate groups of the polymer pull the foulant in the penetrating mechanism. Our work supports the design of a high-density polymer chain surface coating to prevent fouling phenomenon. Our study provides for the first-time insights into the molecular mechanism by probing the interactions between BSA and the zwitterion surface, while testing high- and low-densities polymer chains.

A Pure Zwitterionic PSBMA Coating With Ultra‐Low Friction, Anti‐Adhesion and High Stability for Blood‐Contacting Catheters

“…In summary, prolonging the UV irradiation time increases the coating thickness, thereby forming a smoother and more stable hydration layer. This highly dense zwitterionic polymer coating structure has strong hydration capacity [ 47 ], which enhances surface hydration repulsion and weakens salt-bridge and hydrophobic interactions between proteins and the surface [ 48 ]. This prevents protein molecules from approaching the coating surface, effectively inhibiting non-specific adsorption.…”

A Pure Zwitterionic PSBMA Coating With Ultra‐Low Friction, Anti‐Adhesion and High Stability for Blood‐Contacting Catheters

“…In summary, prolonging the UV irradiation time increases the coating thickness, thereby forming a smoother and more stable hydration layer. This highly dense zwitterionic polymer coating structure has strong hydration capacity [ 47 ], which enhances surface hydration repulsion and weakens salt-bridge and hydrophobic interactions between proteins and the surface [ 48 ]. This prevents protein molecules from approaching the coating surface, effectively inhibiting non-specific adsorption.…”

Multiscale Modeling and Simulation of Zwitterionic Anti-fouling Materials

“…The influence of chain density on the anti-fouling performance was also explored by MD simulations. 151 Based on a model of bovine serum albumin (BSA) foulant and a poly-3-[2-(N-methacryloylethyl)-N,N-dimethylammonio]propanesulfonate (PSPE) surface, researchers compared desorption, adsorption, and penetration behaviors in terms of high/low PSPE chain densities. They found that the different behaviors of BSA were related to the electrostatic interactions between the foulant and the zwitterionic surface.…”

“…The results indicated that the low chain density was unfavorable for the construction of an anti-fouling surface. 151 Choi et al 139 explored the influence of the APE and hydration on their in vivo anti-fouling. The experimental and MD simulation results indicated that the interesting ionresponsive behavior of APE ZPs effectively maximized the antifouling efficiency in biological environments.…”

A Pure Zwitterionic PSBMA Coating With Ultra‐Low Friction, Anti‐Adhesion and High Stability for Blood‐Contacting Catheters

“…In summary, prolonging the UV irradiation time increases the coating thickness, thereby forming a smoother and more stable hydration layer. This highly dense zwitterionic polymer coating structure has strong hydration capacity [ 47 ], which enhances surface hydration repulsion and weakens salt-bridge and hydrophobic interactions between proteins and the surface [ 48 ]. This prevents protein molecules from approaching the coating surface, effectively inhibiting non-specific adsorption.…”

Multiscale Modeling and Simulation of Zwitterionic Anti-fouling Materials

“…The influence of chain density on the anti-fouling performance was also explored by MD simulations. 151 Based on a model of bovine serum albumin (BSA) foulant and a poly-3-[2-(N-methacryloylethyl)-N,N-dimethylammonio]propanesulfonate (PSPE) surface, researchers compared desorption, adsorption, and penetration behaviors in terms of high/low PSPE chain densities. They found that the different behaviors of BSA were related to the electrostatic interactions between the foulant and the zwitterionic surface.…”

“…The results indicated that the low chain density was unfavorable for the construction of an anti-fouling surface. 151 Choi et al 139 explored the influence of the APE and hydration on their in vivo anti-fouling. The experimental and MD simulation results indicated that the interesting ionresponsive behavior of APE ZPs effectively maximized the antifouling efficiency in biological environments.…”

A Pure Zwitterionic PSBMA Coating With Ultra‐Low Friction, Anti‐Adhesion and High Stability for Blood‐Contacting Catheters

“…In summary, prolonging the UV irradiation time increases the coating thickness, thereby forming a smoother and more stable hydration layer. This highly dense zwitterionic polymer coating structure has strong hydration capacity [ 47 ], which enhances surface hydration repulsion and weakens salt-bridge and hydrophobic interactions between proteins and the surface [ 48 ]. This prevents protein molecules from approaching the coating surface, effectively inhibiting non-specific adsorption.…”

Multiscale Modeling and Simulation of Zwitterionic Anti-fouling Materials

“…The influence of chain density on the anti-fouling performance was also explored by MD simulations. 151 Based on a model of bovine serum albumin (BSA) foulant and a poly-3-[2-(N-methacryloylethyl)-N,N-dimethylammonio]propanesulfonate (PSPE) surface, researchers compared desorption, adsorption, and penetration behaviors in terms of high/low PSPE chain densities. They found that the different behaviors of BSA were related to the electrostatic interactions between the foulant and the zwitterionic surface.…”

“…The results indicated that the low chain density was unfavorable for the construction of an anti-fouling surface. 151 Choi et al 139 explored the influence of the APE and hydration on their in vivo anti-fouling. The experimental and MD simulation results indicated that the interesting ionresponsive behavior of APE ZPs effectively maximized the antifouling efficiency in biological environments.…”