ISIS Neutron and Muon Source Data Journal

This is a page describing data taken during an experiment at the ISIS Neutron and Muon Source. Information about the ISIS Neutron and Muon Source can be found at https://www.isis.stfc.ac.uk.


Engineering Adaptive Supramolecular Polymers: The Role of Palisade Domain Sequence and Alkyl Tail Modulation in Lipopeptide Self-Assembly

Abstract: Lipopeptides, nature-inspired amphiphiles with modular architectures, derive their functional versatility from the dynamic interplay between hydrophobic and hydrophilic domains. Central to their self-assembly is the interfacial ?palisade region?: a structural nexus where molecular packing, flexibility, and supramolecular order are governed by sequence-dependent interactions. In this study, we interrogate how sequence engineering of the palisade domain in peptide amphiphiles dictates the structural dynamics of nanofiber-shaped supramolecular polymers. By systematically modulating the amino acid composition (alanine/glycine ratios) and alkyl tail length (C8 vs. C12), how these molecular ?tuning knobs? control secondary structure transitions (beta-sheet/alpha-helix) and intermolecular cohesion was investigated. It was hypothesize that alanine-rich sequences, with their propensity for beta-sheet formation and rigid hydrogen-bonded networks, will stabilize fibrillar rigidity, whereas glycine?s conformational flexibility will enhance molecular mobility, yielding softer, adaptive assemblies. To resolve these structural and dynamic effects, small-angle neutron scattering (SANS) with contrast-matching strategies (H2O/D2O solvents, deuterated lipopeptides), would enable real-time, solvent-visible interrogation of self-assembly pathways in physiologically relevant environments.

Principal Investigator: Dr Mingrui Liao
Experimenter: Mr kangcheng shen
Experimenter: Mr Shenghui Tu
Experimenter: Miss Yingyu Wang
Experimenter: Professor Jian Lu
Local Contact: Dr Diego Alba Venero

DOI: 10.5286/ISIS.E.RB2520254

ISIS Experiment Number: RB2520254

Part DOI Instrument Public release date Download Link
10.5286/ISIS.E.RB2520254-1 ZOOM 21 November 2028 Download

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
Select the data format above to find out more about it.

Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr Mingrui Liao et al; (2025): Engineering Adaptive Supramolecular Polymers: The Role of Palisade Domain Sequence and Alkyl Tail Modulation in Lipopeptide Self-Assembly, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2520254

Data is released under the CC-BY-4.0 license.



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