Search results for "Polychlorinated diphenyl ethers"
showing 10 items of 11 documents
Substituent effects on13C NMR parameters of chlorinated diphenyl ethers. A multiple linear regression analysis
1995
13C NMR chemical shifts and nJ(C,H) coupling constants of polychlorinated diphenyl ethers (PCDEs) were measured and analysed. The chlorine substituent effects on the chemical shifts and the coupling constants were determined by a multiple linear regression analysis. The 13C NMR chemical shifts depend on the conformational preferences in PCDEs. In addition to single substituent effects, corrective terms reflecting the conformational state of the molecule and the mutual steric interactions of two chlorine atoms had to be taken into account for the reliable prediction of the 13C chemical shifts. In contrast to chemical shifts, conformational effects play a minor role in the substituent effects…
Substituent effects of1H NMR parameters of chlorinated diphenyl ethers. A statistical approach
1994
The 1H NMR spectra of 64 polychlorinated diphenyl ethers (PCDEs) were measured and assigned. Multiple linear regression analysis was used to estimate the effects of chlorine atoms on the 1H NMR chemical shifts and coupling constants. The ‘simple sum rules’ were found to be inadequate for the prediction of 1H NMR chemical shifts of PCDEs. Therefore, corrective terms of two chlorine atoms were taken into account. The most important effects on chemical shifts were shown to be the steric interactions of two adjacent chlorine atoms and the intramolecular ring current effect observed in the ortho-proton of tri-ortho-substituted PCDEs. The substituent effects on J(HH) coupling constants were found…
New qsar models for polyhalogenated aromatics
1994
Electronic properties of polychlorinated dibenzo p dioxins (PCDDs), polychlorinated dibenzofurans (PCDFs), polychlorinated biphenyls (PCBs), and polychlorinated diphenyl ethers (PCDEs) were calculated using the semi-empirical AM1 method The calculated electronic descriptors — the energy of the lowest unoccupied molecular orbital (ELUMO), the energy of the highest occupied molecular orbital (EHOMO), the ELUMO-EHOMO gap (dE), and molecular polarizability — are related to the Ah receptor binding affinity values of PCDDs, PCDFs, and PCBs and immunotoxicity values for PCDEs The quantitative structure activity relationships (QSARs) based on chlorine substitution patterns were also constructed, an…
Polychlorinated diphenyl ethers, dibenzo-p-dioxins and dibenzofurans in finnish human tissues compared to environmental samples
1995
Finnish human samples from the Helsinki area and Arctic cod samples from Vestertana Fjord (Norway) were analyzed for polychlorinated diphenyl ethers (PCDE) and 2,3,7,8-chloro substituted dibenzo-p-dioxins (PCDD) and dibenzofurans (PCDF). The PCDE, PCDD and PCDF contents in human and animal samples from Finland and elsewhere were briefly reviewed. PCDEs were non-detectable in human liver and testis, but some PCDE congeners were identified in human adipose tissue and fat of boiled Arctic cod liver composite. The contents of PCDEs in Finnish human samples were similar to those reported in the literature for human tissues from North America. The estimated concentrations of PCDEs 99, 147 + 153 (…
Bioaccumulation of dioxins, coplanar PCBs, PCDEs, HxCNs, R-PCNs, R-PCPHs and R-PCBBs in fish from a pulp-mill recipient watercourse
1993
Abstract Pike, perch and lake bream from the river Kymijoki were analyzed by gas chromatography/mass spectrometry (GC/MS) for toxic polychlorinated dibenzo-p-dioxins (PCDDs) and dibenzofurans (PCDFs), hexachlorinated naphthalenes (HxCNs), non-ortho substituted polychlorinated biphenyls (coplanar PCBs) and alkylchloroaromatics of pulp mill origin. In most fish, the only congener of PCDD/PCDFs found was 2,3,7,8-TeCDF (
SIMILARITIES IN BIOACCUMULATION PATTERNS OF POLYCHLORINATED DIBENZO-p-DIOXINS AND FURANS AND POLYCHLORINATED DIPHENYL ETHERS IN LABORATORY-EXPOSED OL…
2003
Sediment and chironomid samples were collected from a river in the vicinity of and downstream from a closed chlorophenol production plant, and they were analyzed for polychlorinated dibenzo-p-dioxins and furans (PCDD/F) and polychlorinated diphenyl ethers (PCDE). Bioaccumulation of these compounds from the sediments by the oligochaeta, Lumbriculus variegatus, and semipermeable membrane devices (SPMDs) was studied in a 28-d bioaccumulation test. The sum concentrations of PCDD/Fs and PCDEs in sediments varied spatially, peaking at the site below the production plant, but the congener composition remained fairly constant throughout the river. The sum concentrations of chironomids, oligochaetes…
Polychlorinated diphenyl ethers, dibenzo-p-dioxins, dibenzofurans and biphenyls in seals and sediment from the Gulf of Finland.
1997
Polychlorinated diphenyl ethers (PCDEs), 2,3,7,8-substituted polychlorinated dibenzo-p-dioxins (PCDDs) and dibenzofurans (PCDFs), and polychlorinated biphenyls (PCBs) were analyzed in seals from the Gulf of Finland and in sediments from the Gulf of Finland and near Gotland. The sediments included one surface core from both sampling sites. The seal material consisted of 14 ringed seals and 6 grey seals that all were found dead and examined for pathology. The main aims were to scrutinize levels and patterns of PCDEs for the first time in seals from the Baltic Sea and to estimate whether chlorinated compounds mentioned have an influence on an exceptional high mortality that occurred among ring…
EXPERIENCES OF STRUCTURE ANALYSES OF CHLOROPHENOL DIMERS AND TRIMERS FOUND IN DIFFERENT SAMPLES
1982
ABSTRACT Chlorophenol formulations (Kymi/Kymmene Co., wood preservatives), sawmill wood waste samples and different waste treatment product samples were analyzed for oligomeric by-products of the polychlorinated phenols. Structure types for 26 phenolic dimers, 45 neutral dimers and 13 phenolic trimers were determined by GC/MS. Types of one tetrachloro and one hexachloro compound detected remained unknown. Contents of by-products in chlorophenol formulations varied greatly depending on their production method. Chemical treatment of wastes with NaClO and NaOH lowered their contents of chlorophenols and phenolic dimers, but did not change (NaOH) or increased (NaClO) the contents of neutral dim…
13C NMR spectroscopic study of diphenyl ether and 28 of its polychlorinated derivatives
1993
The 13 C NMR chemical shifts and coupling constants for diphenyl ether and 28 environmentally interesting polychlorinated diphenyl ethers were measured and analysed
Ethoxyresorufin-O-deethylase induction potency of polychlorinated diphenyl ethers in H4IIE rat hepatoma cells
1996
Polychlorinated diphenyl ethers (PCDEs) are structurally similar to polychlorinated biphenyls (PCBs), and some PCDE congeners have been reported to cause toxic responses similar to those caused by some of the non-ortho-substituted PCBs, which are mediated by the aryl hydrocarbon receptor (AhR). Twenty-nine PCDEs were tested for their potency as AhR agonists relative to 2,3,7,8-tetrachlorodibenzo-p-dioxin (2,3,7,8-TCDD) by measuring their ability to induce the cytochrome P-450 1A1-associated enzyme activity, ethoxyresorufin-O-deethylase (EROD), in the H4IIE rat hepatoma cell bioassay. All PCDE congeners tested were found to be inactive as EROD inducers except for PCDE 156, which was a weak E…