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Molecular Shapes

Molecular Shapes

Molecules have characteristic shapes that are crucial for their function. The arrangement of various electron groups around the central atom dictates their molecular geometry. Electron pairs in the valence shell of a central atom will adopt an arrangement that minimizes repulsions between the electron pairs by maximizing the distance between them. The valence electrons form either bonding pairs, located primarily between bonded atoms, or lone pairs.
Two regions of electron density in a diatomic...

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Programmable Host-Guest Recognition for Shape-Shifting Supramolecular Nanostructure States.

Bo Su¹, Dongping Liu¹, Teng Chi¹

¹Department of Chemical & Biomolecular Engineering, University of Notre Dame, Notre Dame, Indiana 46556 United States.

|June 18, 2025

Summary

This summary is machine-generated.

Researchers developed a pH-sensitive supramolecular system for dynamic nanostructure transformations. This peptide amphiphile and cucurbit[7]uril system allows programmable, reversible changes between nanofibers, micelles, and aggregates, advancing functional biomaterials.

Keywords:

Bio-inspired Materials Host−Guest Chemistry Nanotechnology Peptide Self-Assembly Switchable Nanostructures

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Area of Science:

Supramolecular Chemistry
Materials Science
Nanotechnology

Background:

Designing nanostructures with controllable transformations is key for functional biomaterials.
Supramolecular chemistry offers tools for creating dynamic molecular assemblies.
Existing systems often lack precise control over morphological changes.

Purpose of the Study:

To develop a pH-sensitive supramolecular system for programmable and reversible nanostructure transformations.
To demonstrate control over nanostructure states by modulating pH and component ratios.
To explore autonomous triggering of morphological changes using enzymatic pH control.

Main Methods:

Functionalization of peptide amphiphiles with bicyclo[2.2.2]octane (BO) guest molecules.
Modification of cucurbit[7]uril (CB[7]) with a pendant PEG chain.
Utilizing pH-dependent CB[7]-BO complexation to control self-assembly.

Main Results:

Demonstrated dynamic transitions among filamentous nanofibers, spherical micelles, and nanoscale aggregates.
Showcased reversible nanostructure transformations controlled by pH and component mixing.
Achieved autonomous, transient morphological changes via enzymatic pH control.

Conclusions:

The developed supramolecular system enables programmable and switchable nanomaterials.
This approach integrates multiple supramolecular motifs for life-like structural transience.
Highlights potential for advanced functional biomaterials with dynamic properties.