Double helical conformation and extreme rigidity in a rodlike polyelectrolyte

Ying Wang, Yadong He, Zhou Yu, Jianwei Gao, Stephanie Brinck, Carla Slebodnick, Gregory B. Fahs, Curt J. Zanelotti, Maruti Hegde, Robert B. Moore, Bernd Ensing, Theo J. Dingemans, Rui Qiao () and Louis A. Madsen ()
Additional contact information
Ying Wang: Virginia Tech
Yadong He: Virginia Tech
Zhou Yu: Virginia Tech
Jianwei Gao: Delft University of Technology
Stephanie Brinck: University of Amsterdam
Carla Slebodnick: Virginia Tech
Gregory B. Fahs: Virginia Tech
Curt J. Zanelotti: Virginia Tech
Maruti Hegde: Delft University of Technology
Robert B. Moore: Virginia Tech
Bernd Ensing: University of Amsterdam
Theo J. Dingemans: Delft University of Technology
Rui Qiao: Virginia Tech
Louis A. Madsen: Virginia Tech

Nature Communications, 2019, vol. 10, issue 1, 1-8

Abstract: Abstract The ubiquitous biomacromolecule DNA has an axial rigidity persistence length of ~50 nm, driven by its elegant double helical structure. While double and multiple helix structures appear widely in nature, only rarely are these found in synthetic non-chiral macromolecules. Here we report a double helical conformation in the densely charged aromatic polyamide poly(2,2′-disulfonyl-4,4′-benzidine terephthalamide) or PBDT. This double helix macromolecule represents one of the most rigid simple molecular structures known, exhibiting an extremely high axial persistence length (~1 micrometer). We present X-ray diffraction, NMR spectroscopy, and molecular dynamics (MD) simulations that reveal and confirm the double helical conformation. The discovery of this extreme rigidity in combination with high charge density gives insight into the self-assembly of molecular ionic composites with high mechanical modulus (~ 1 GPa) yet with liquid-like ion motions inside, and provides fodder for formation of other 1D-reinforced composites.

Date: 2019
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DOI: 10.1038/s41467-019-08756-3

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