The polaronic and bipolaronic forms of polyaniline emeraldine salt (PAni-ES) in the amorphous solid state have been simulated using classical molecular dynamics (MD) and hybrid quantum mechanical/molecular mechanical-molecular ...

In this work, we present a successful strategy to convert recycled LDPE films, which usually end up in landfills or leak into the environment, into an advanced biomedical product. More specifically, LDPE films for food ...

We report the noticeable control exerted by the surface in the self-assembly of a highly hydrophobic triphenylalanine peptide with fluorenyl functionalities blocking the two ends. The remarkable differences observed among ...

Interactions, in terms of both binding energies and microscopic organization, of water molecules absorbed by hydrophilic polyaniline emeraldine base have been investigated using quantum mechanical calculations, molecular ...