PubMed · 13993335
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D TARGOWLA. 1963. [Chlorine].. https://pubmed.ncbi.nlm.nih.gov/13993335/
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Solid-phase extraction (SPE) and solid-phase microextraction (SPME) were evaluated for the analysis of short-chain chlorinated paraffins (SCCPs) in water samples using gas chromatography coupled to negative chemical ionisation mass spectrometry (GC-NCI-MS). For SPE optimisation, four commercially available SPE cartridges were tested and several SPE parameters, such as the elution solvent, elution volume and breakthrough volume were studied. The best results were obtained with Varian Bond Elut-C18. In order to achieve a high selectivity in the determination of SCCPs, GC-NCI-MS was used. Quality parameters of the optimised SPE and SPME procedures were determined, and the best results were obtained for the SPE/GC-NCI-MS method with LODs of 5 and 20 ng l(-1) for tap and river water, respectively. This method was successfully applied to the analysis of SCCPs in river water samples at concentrations below the microg l(-1) level.
The normal mode frequencies and corresponding vibrational assignments of tetrachlorobutatriene in D2h symmetry are examined theoretically using the Gaussian 98 set of quantum chemistry codes. All normal modes were successfully assigned to one of the six types of motion (C=C stretch, CCl2 scissors, CCl2 twist, CCl2 wag, CCl2 rock, and C=C=C bend) predicted by a group theoretical analysis. By comparing the vibrational frequencies with IR and Raman spectra available in the literature, a set of scaling factors is derived.
AIMS: To assess spatial fluctuations, temporal variability, and errors due to sampling and analysis in levels of disinfection by-products in routine monitoring tap water samples and in water samples collected in households within the same distribution system for an exposure assessment study. METHODS: Mixed effects models were applied to quantify seasonal effects and the degree to which trihalomethane (THM) levels vary among households or locations relative to variation over time within seasons for any given location. In a separate analysis, the proportion of total variation due to measurement error arising from sampling and analysis was also quantified. RESULTS: THM levels were higher in the summer relative to other seasons. Differences in the relative magnitude of the intra- and inter-household components of variation were observed between the two sets of THM measurements, with a greater proportion of the variation due to differences within seasons for the routine monitoring data and a greater proportion of the variation due to differences across locations for the exposure assessment study data. Such differences likely arose due to differences in the strategies used to select sites for sampling and in the time periods over which the data were collected. With the exception of bromodichloromethane, measurement errors due to sampling and analysis contributed a small proportion of the total variation in THM levels. CONCLUSIONS: The utility of routine monitoring data in assigning exposure in epidemiological studies is limited because such data may not represent the magnitude of spatial variability in levels of disinfection by-products across the distribution system. Measurement error contributes a relatively small proportion to the total variation in THM levels, which suggests that gathering a greater number of samples over time with fewer replicates collected at each sampling location is more efficient and would likely yield improved estimates of household exposure.