Atomistic Study of Zwitterionic Peptoid Antifouling Brushes Article Swipe
David L. Cheung
,
King Hang Aaron Lau
·
YOU?
·
· 2018
· Open Access
·
· DOI: https://doi.org/10.1021/acs.langmuir.8b01939
YOU?
·
· 2018
· Open Access
·
· DOI: https://doi.org/10.1021/acs.langmuir.8b01939
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 potential. Some properties promoted by the balanced charges, such as chain flexibility and hydration, increase more prominently at "low" to "intermediate" chain densities. These and other observations should provide insight on the molecular behavior of peptoids and inform the design of zwitterionic antifouling polymer brushes.
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Metadata
- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.1021/acs.langmuir.8b01939
- OA Status
- green
- Cited By
- 37
- References
- 75
- Related Works
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- OpenAlex ID
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All OpenAlex metadata
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https://openalex.org/W2888542706Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.1021/acs.langmuir.8b01939Digital Object Identifier
- Title
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Atomistic Study of Zwitterionic Peptoid Antifouling BrushesWork title
- Type
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articleOpenAlex work type
- Language
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enPrimary language
- Publication year
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2018Year of publication
- Publication date
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2018-08-24Full publication date if available
- Authors
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David L. Cheung, King Hang Aaron LauList of authors in order
- Landing page
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https://doi.org/10.1021/acs.langmuir.8b01939Publisher landing page
- Open access
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YesWhether a free full text is available
- OA status
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greenOpen access status per OpenAlex
- OA URL
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https://hdl.handle.net/10379/10012Direct OA link when available
- Concepts
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Peptoid, Biofouling, Chemistry, Nanotechnology, Chemical engineering, Polymer chemistry, Materials science, Membrane, Peptide, Engineering, BiochemistryTop concepts (fields/topics) attached by OpenAlex
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37Total citation count in OpenAlex
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2025: 4, 2024: 3, 2023: 9, 2022: 5, 2021: 8Per-year citation counts (last 5 years)
- References (count)
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75Number of works referenced by this work
- Related works (count)
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10Other works algorithmically related by OpenAlex
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| referenced_works | https://openalex.org/W2034529942, https://openalex.org/W2047857670, https://openalex.org/W2044000481, https://openalex.org/W1989913459, https://openalex.org/W2080921714, https://openalex.org/W2018605111, https://openalex.org/W2045260522, https://openalex.org/W2064909929, https://openalex.org/W2026101163, https://openalex.org/W2399715308, https://openalex.org/W1973070678, https://openalex.org/W2074880818, https://openalex.org/W2165268405, https://openalex.org/W2041233437, https://openalex.org/W2130030966, https://openalex.org/W1980537715, https://openalex.org/W2011319932, https://openalex.org/W1969375854, https://openalex.org/W2050445499, https://openalex.org/W2034520377, https://openalex.org/W2081116099, https://openalex.org/W2330010152, https://openalex.org/W2791372983, https://openalex.org/W2756797184, https://openalex.org/W2766955217, https://openalex.org/W2412994515, https://openalex.org/W2213963057, https://openalex.org/W2746064722, https://openalex.org/W2653264077, https://openalex.org/W1992528022, https://openalex.org/W2048808551, https://openalex.org/W2124830001, https://openalex.org/W2067295330, https://openalex.org/W2057685514, https://openalex.org/W2773513547, https://openalex.org/W1865481174, https://openalex.org/W1988824660, https://openalex.org/W2014717165, https://openalex.org/W2119370587, https://openalex.org/W2802201344, https://openalex.org/W2109062556, https://openalex.org/W2058289726, https://openalex.org/W2145656960, https://openalex.org/W2791679819, https://openalex.org/W2094056490, https://openalex.org/W2120174285, https://openalex.org/W4229821970, https://openalex.org/W1966100197, https://openalex.org/W2055162945, https://openalex.org/W2277706193, https://openalex.org/W1902334105, https://openalex.org/W1971813255, https://openalex.org/W2331672305, https://openalex.org/W2027408247, https://openalex.org/W2072953968, https://openalex.org/W2060079863, https://openalex.org/W2099606293, https://openalex.org/W2035687084, https://openalex.org/W2171268876, https://openalex.org/W1966078827, https://openalex.org/W2057477511, https://openalex.org/W2170711116, https://openalex.org/W2029667189, https://openalex.org/W2009826592, https://openalex.org/W1971237107, https://openalex.org/W2104056229, https://openalex.org/W2079347827, https://openalex.org/W1978161967, https://openalex.org/W2090181406, https://openalex.org/W2124444208, https://openalex.org/W2059651386, https://openalex.org/W2581986435, https://openalex.org/W2736494476, https://openalex.org/W2551101811, https://openalex.org/W2003448893 |
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