67 research outputs found
Fingerprints for Structural Defects in Poly(thienylene vinylene) (PTV): A Joint TheoreticalâExperimental NMR Study on Model Molecules
In the field of plastic electronics, low band gap conjugated polymers like poly(thienylene vinylene) (PTV) and its derivatives are a promising class of materials that can be obtained with high molecular weight via the so-called dithiocarbamate precursor route. We have performed a joint experimental- theoretical study of the full NMR chemical shift assignment in a series of thiophene-based model compounds, which aims at (i) benchmarking the quantum-chemical calculations against experiments, (ii) identifying the signature of possible structural defects that can appear during the polymerization of PTV's, namely head-to-head and tail-to-tail defects, and (iii) defining a criterion regarding regioregularity
The perfluoroalkyl carboxylic acids (PFCAs) and perfluoroalkane sulfonates (PFSAs) contamination level in spices
Chronic occupational exposures can influence the rate of PTSD and depressive disorders in first responders and military personnel
A simple and rapid chromatographic method to determine unauthorized basic colorants (rhodamine B, auramine O, and pararosaniline) in processed foods
Influence of fertilisation on furanocoumarins content in two celeriac varieties
The aim of this study was to investigate the effect of the way of celeriac cultivation on the content of naturally occurring toxicants - furanocoumarins. Their levels have been shown to be strongly affected by an individual variety and also fertilization method. Organic farming using anaerobically fermented pig slurry was compared with mineral, combined, and non-fertilized farming. The climatic conditions in particular crop years play an important role in the furanocoumarins occurrence
Density functional theory investigation of the stereochemistry effects on H-1 and C-13 NMR chemical shifts of poly(vinyl chloride) oligomers
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