Linear growth of self-assembled alternating oligopeptide nanotubes with self-locking building blocks
| Autor: | Michael A. Whitehead, Theo G. M. van de Ven, Kevin Conley |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
MECHANISM
Nanotube Nanostructure Materials science STYRENE General Chemical Engineering Peptide 02 engineering and technology Nanotube assembly Ring (chemistry) NANOSTRUCTURES 01 natural sciences 0103 physical sciences Copolymer General Materials Science chemistry.chemical_classification MALEIC-ANHYDRIDE Oligopeptide ta114 010304 chemical physics Hydrogen bond PEPTIDES ASSOCIATION General Chemistry Glutamic acid 021001 nanoscience & nanotechnology Condensed Matter Physics computational chemistry COPOLYMERS Crystallography chemistry Modeling and Simulation oligopeptides 0210 nano-technology FORM biomaterials Information Systems |
| Zdroj: | Molecular Simulation. 45:549-555 |
| ISSN: | 1029-0435 0892-7022 |
| DOI: | 10.1080/08927022.2018.1563698 |
| Popis: | An oligopeptide was designed using molecular modelling to self-assemble into nanotubes without forming bundles. An alternating peptide of two glutamic acids (E) and one phenylalanine (F) forms a linear, rigid backbone with phenyl groups sticking out in a propeller-like conformation. At neutral pH, a hydrogen bond forms between two adjacent glutamic acid moieties, forming a closed ring, allowing 32 (EEF)8 oligopeptides to self-associate by π-stacking into short nanotube segments with an inner diameter of 4.2 nm and an outer diameter of 8.9 nm. The computational models predict that the nanotubes grow longitudinally by joining the LEGO block-like segments together, in principle to any length. The protruding glutamic acid ring prevents nanotube bundling, guaranteeing long nanotubes of the same diameter as the individual segments. Changing the pH introduces flexibility in the backbone and inhibits self-assembly. The computationally predicted structures are validated experimentally, and rod-like particl... |
| Databáze: | OpenAIRE |
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