ArticleMacromolecules2022
Unraveling the Role of Charge Patterning in the Micellar Structure of Sequence-Defined Amphiphilic Peptoid Oligomers by Molecular Dynamics Simulations.
Article in Macromolecules, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
What it found
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Who cites it
7 citing papers in PubMed, 13 citations in OpenAlex.
- Customizing Ionic Micelles by Dynamic Coassembly of Sequence-Defined Peptoid Block Copolymers.Macromolecules · 2026Article
- Role of Acids in Stabilizing Reverse Micelles: Insights from Dodecyl Sulfate.Langmuir : the ACS journal of surfaces and colloids · 2026Article
- Programmable Electrostatics in Charge-Patterned Polypeptoid Micelles Probed by Small-Angle Neutron Scattering.Macromolecules · 2026Article
- Modulating the Aqueous Micellar Reorganization of Sequence-Defined Ionic Peptoid Block Copolymers by Ionizable Monomer Position and Solution pH.Macromolecules · 2025Article
- Minimal Peptoid Dynamics Inform Self-Assembly Propensity.The journal of physical chemistry. B · 2023Article
- pH-Dependent Solution Micellar Structure of Amphoteric Polypeptoid Block Copolymers with Positionally Controlled Ionizable Sites.Biomacromolecules · 2023Article
- Recent Experimental Advances in Characterizing the Self-Assembly and Phase Behavior of Polypeptoids.Materials (Basel, Switzerland) · 2023Review
Corrections and comments
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Authors and funding
9 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Electrostatic interactions play a significant role in regulating biological systems and have received increasing attention due to their usefulness in designing advanced stimulus-responsive materials. Polypeptoids are highly tunable N-substituted peptidomimetic polymers that lack backbone hydrogen bonding and chirality. Therefore, polypeptoids are suitable systems to study the effect of noncovalent interactions of substituents without complications of backbone intramolecular and intermolecular hydrogen bonding. In this study, all-atom molecular dynamics (MD) simulations were performed on micelles formed by a series of sequence-defined ionic polypeptoid block copolymers consisting of a hydrophobic segment and a hydrophilic segment in an aqueous solution. By combining the results from MD simulations and experimental small-angle neutron scattering data, further insights were gained into the internal structure of the formed polypeptoid micelles, which is not always directly accessible from experiments. In addition, information was gained into the physics of the noncovalent interactions responsible for the self-assembly of weakly charged polypeptoids in an aqueous solution. While the aggregation number is governed by electrostatic repulsion of the negatively charged carboxylate (COO
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.