The behavior of micropollutants in water treatment is an important aspect in terms of water quality. Nontarget screening by liquid chromatography coupled to high-resolution mass spectrometry (LC-HRMS) offers the opportunity to comprehensively assess water treatment processes by comparing the signal heights of all detectable compounds before and after treatment. Without preselection of known target compounds, all accessible information is used to describe changes across processes and thus serves as a measure for the treatment efficiency. In this study, we introduce a novel LC-HRMS data processing strategy for the reliable classification of signals based on the observed fold changes. An approach for filtering detected features was developed and, after parameter adjustment, validated for its recall and precision. As proof of concept, the fate of 411 target compounds in a 0.1 μg/L standard mix was tracked throughout the data processing stages, where 406 targets were successfully recognized and retained during filtering. Potential pitfalls in signal classification were addressed. We found the recursive peak integration to be a key point for the reliable classification of signal changes across a process. For evaluating the repeatability, a combinatorial approach was conducted to verify the consistency of the final outcome using technical replicates of influent and effluent samples taken from an ozonation process during drinking water treatment. The results showed sufficient repeatability and thus emphasized the applicability of nontarget screening for the assessment of water treatment processes. The developed data processing strategies may be transferred to other research fields where sample comparisons are conducted.

A comprehensive monitoring programme of trace organic chemicals (TOrC) was conducted for a German water protection area in karstic ground. The aim of this survey was to detect the potential anthropogenic influences of point sources such as wastewater treatment plants and diffuse pollution such as runoff water from roads on the raw water used for drinking water treatment. The programme comprised seven sampling campaigns within 2 years each with up to 20 sampling sites. In total, the programme included 84 anthropogenic compounds from pharmaceuticals, iodinated X-ray contrast media, sweeteners, industrial chemicals (benzotriazoles, melamines and benzothiazoles) and pesticide metabolites. Cyclamate occurred with the highest median concentration of 44 μg l in untreated wastewater and acesulfame occurred with a concentration of 20 μg l in treated wastewater. In runoff water from roads, the most relevant compounds were tolyltriazole with 2.3 μg l and the desphenyl-chloridazon with 1.2 μg l. In the stream waters, the highest median concentrations were found for melamine and acesulfame both at 0.61 μg l. High elimination during conventional wastewater treatment was observed for 5 out of 49 compounds. These are acetyl-sulfamethoxazole, aciclovir, cyclamate, ibuprofen and saccharin. Based on the survey results, we propose a set of nine compounds to be used as indicators for wastewater, untreated wastewater and runoff water from roads for an efficient surveillance. The indicators are intended to detect anthropogenic influences in surface, ground and drinking water.

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The laser‐induced breakdown detection (LIBD) is a very sensitive method for the direct detection of colloids based on the plasma generation on single particles by a focused, pulsed laser beam and the detection of the produced shock wave or plasma light emission. For the determination of colloid sizes the light emission of single plasmas is detected by a microscope CCD‐camera system. With known mean particle diameter and breakdown probability the particle concentration can be calculated. The application of the LIBD to monitor the change of colloid concentration and size during the purification steps of drinking water at the Bodensee (Lake Constance, Germany) water purification plant is shown. The breakdown probability, correlating to colloid number density, decreases with every purification step. By addition of FeCl3 as a precipitating agent and with an additional filtration step, not only suspended matter, but also colloids are effectively removed. After this process a remaining particle concentration of 50 ng/L and a mean particle diameter of 27 nm are found.