Chair of Chemical Materials Science, Department of Chemistry, University of Konstanz, Germany Introduction Poly(p-phenylene vinylene) (PPV) and its derivatives are amongst the most widely studied class of conjugated polymers since the discovery of their electroluminescent properties in 1990. These polymers are studied for applications in numerous photonic devices such as organic solar cells, or...

Family X DNA polymerases (PolXs) are involved in DNA repair. Their binding to gapped DNAs relies on two conserved helix-hairpin-helix motifs, one located at the 8-kDa domain and the other at the fingers subdomain. Bacterial/archaeal PolXs have a specifically conserved third helix-hairpin-helix motif (GFGxK) at the fingers subdomain whose putative role in DNA binding had not been established. He...

Polymerization of â-butyrolactone (BBL) and â-valerolactone (BVL) using the zinc alkoxide initiator (BDI-1)ZnOiPr [(BDI-1) ) 2-((2,6-diisopropylphenyl)amido)-4-((2,6-diisopropylphenyl)imino)-2-pentene] proceeds very rapidly under mild conditions to produce poly(3-hydroxybutyrate) (PHB) and poly(3hydroxyvalerate) (PHV), respectively. For the monomer-to-initiator ratio 200:1, PHB number-average m...

We assess the performance of six density functionals, each paired with one of five basis sets (a total of 30 model chemistries) for the prediction of geometrical parameters in the coordination sphere of nine vanadium complexes (for a total of 270 structural analyses). We find that results are generally consistent over the range of functionals tested and that none fail drastically. For bond leng...

atom transfer radical polymerization (atrp) of styrene was carried out at 105°c and a monte carlo simulation was employed to model the system. the variations of monomer conversion, the initiator concentration, average molecular weight, and molecular weight distribution were evaluated as the reaction proceeded. according to the results obtained, for similar reaction time, monomer conversion is h...