We present an implementation of the Frenkel exciton model into the OpenMolcas program package enabling calculations of collective electronic excited states of molecular aggregates based on a multiconfigurational wave function description of the individual ...
In this paper the loaded polymer transport and its escape via a nanometer size aperture, virtually by nanomembrane, the polymer being moved by an exterior electrostatic field, has been studied. Assuming a linear dependency of the friction coefficient on th ...
Aerolysin polypeptides and/or mutant aerolysin monomers include modified amino acid sequences that could have improved substrate analyte, such as (poly)nucleotide and peptide, improved reading properties such as enhanced substrate analyte capture and impro ...
Lignin is a renewable aromatic polymer that due to its abundance and unique chemical structure is a promising candidate to replace aromatic materials that are currently sourced from fossil oil. The same structure of lignin poses however drawbacks for its v ...
Pressure-sensitive adhesives (PSAs) are polymeric films that can be adhered to and detached from surfaces without leaving residue. Researchers are looking to enhance the bond strength between PSAs and different substrates. It can be achieved by tuning PSA' ...
Gene therapy offers the possibility to treat or even cure diseases originating from genetic defects by introducing a therapeutic gene in target cells or correcting the initial defective gene. Amongst different options, non-viral vectors rely on the deliver ...
Generating value, in the form of functional chemicals, from biomass is a critical need of today. It is expected that replacing petroleum with biomass as the source of many commodity and fine chemicals can lead the transition away from a fossil-fuel based e ...
In this work we study microwimmers, whether colloids or polymers, embedded in bulk or in confinement. We explicitly consider hydrodynamic interactions and simulate the swimmers via an implementation inspired by the squirmer model. Concerning the surroundin ...
Elastomer composites are prepared by infiltrating polydimethylsiloxane (PDMS) into a porous ceramic structure of nanoparticles. This method differs from the conventional approach, where particles are dispersed into the polymer matrix, since here, the polym ...
Polymers with high surface electric insulation capability are greatly demanded in various electrical devices operating in vacuum ambient. Low secondary electron emission (SEE) is favorable to mitigate vacuum flashover by inhibiting the SEE avalanche across ...
In this study, three novel thermoplastic impregnation processes were analyzed towards automotive applications. The first process is thermoplastic compression resin transfer molding in which a glass fiber mat is impregnated in through thickness by a thermop ...
Polymer brushes are a specific class of polymer thin films in which each chain is tethered to the underlying substrate via one chain end. In sufficiently densely grafted assemblies, the individual polymer chains are forced into an extended chain conformati ...
