Atomistic Study of Zwitterionic Peptoid Antifouling Brushes

Langmuir : the ACS Journal of Surfaces and Colloids
David L Cheung, King Hang Aaron Lau

Abstract

Using molecular dynamics (MD) simulations, we study the molecular behavior and hydration properties of a set of zwitterionic "peptoid" brushes, grafted on a rutile surface, that has been previously reported to exhibit excellent resistance against protein adsorption and cell attachment. Peptoids are novel poly( N-substituted glycine) peptide mimics with the side chains attached to amide nitrogens. They constitute a unique model polymer system because hundreds of side chains have been demonstrated, and the exact chain length and sequence order of the residues/monomers may be specified in experiments. In this report, we vary the brush grafting density as well as the side chain/polymer molecular volume. We include in our study polysarcosine as an uncharged comparison with a small polymer chain cross-section. Sarcosine is the simplest peptoid residue with only a nominally hydrophobic methyl group as side chain, but is also reported to exhibit high antifouling performance. Overall, we show in detail how molecular volume and hydration effects are intertwined in a zwitterionic polymer brush. For example, the zwitterionic design significantly promotes extended chain conformations and could actually lower the overall electrostatic potent...Continue Reading

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Citations

Apr 1, 2020·Journal of Materials Chemistry. B, Materials for Biology and Medicine·Yonglan LiuJie Zheng
May 16, 2020·Journal of Materials Chemistry. B, Materials for Biology and Medicine·Sunting Xuan, Ronald N Zuckermann
Apr 13, 2021·Journal of Biomechanics·Mohan YasodharababuArun K Nair
Mar 3, 2020·Langmuir : the ACS Journal of Surfaces and Colloids·Yonglan LiuJie Zheng
Sep 25, 2020·Langmuir : the ACS Journal of Surfaces and Colloids·Fang PanXiubo Zhao
Apr 28, 2020·ACS Macro Letters·Valeria CastellettoKing Hang Aaron Lau
Oct 7, 2021·Chemical Communications : Chem Comm·Claudine Nicole HerlanStefan Bräse

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