ResearchPublié le 18.12.2023

Latest publication from the Kilbinger and Salentinig Research Groups!


Kilbinger Group and Salentinig Group have recently published an article in collaboration, in the Journal of American Chemical Society/ JACS entitled, "Solvent Dependent Folding of an Amphiphilic Polyaramid". 

for more information and to read the article: https://pubs.acs.org/doi/10.1021/jacs.3c11026

Abstract

A series of synthetic alternating and amphiphilic aromatic amide polymers were synthesized by a step growth polymerization. Alternating meta- and para-linkages were introduced to force the polymer chain into a helical shape in the highly polar solvent water. The polymers were analyzed by 1H NMR spectroscopy and SEC in polar aprotic solvents such as DMSO and DMF. However, the polymers also showed good solubility in water. 1H NMR spectroscopy, small-angle X-ray scattering, and dynamic light scattering provided clear evidence of polymer folding in water but not DMF. We employed parallel tempering metadynamics in the well-tempered ensemble (PTMetaD-WTE) to simulate the free energy surfaces of an analogous model polymer in DMF and water. The simulations gave a molecular model of an unfolded structure in DMF and a helically folded tubular structure in water.