A new approach to data evaluation in the non-target screening of organic trace substances in water analysis

Non-target screening via high performance liquid chromatography-mass spectrometry (HPLC-MS) has gained increasingly in importance for monitoring organic trace substances in water resources targeted for the production of drinking water. In this article a new approach for evaluating the data from non-target HPLC-MS screening in water is introduced and its advantages are demonstrated using the supply of drinking water as an example. The crucial difference between this and other approaches is the comparison of samples based on compounds (features) determined by their full scan data. In so doing, we take advantage of the temporal, spatial, or process-based relationships among the samples by applying the set operators, UNION, INTERSECT, and COMPLEMENT to the features of each sample. This approach regards all compounds, detectable by the used analytical method. That is the fundamental meaning of non-target screening, which includes all analytical information from the applied technique for further data evaluation. In the given example, in just one step, all detected features (1729) of a landfill leachate sample could be examined for their relevant influences on water purification respectively drinking water. This study shows that 1721 out of 1729 features were not relevant for the water purification. Only eight features could be determined in the untreated water and three of them were found in the final drinking water after ozonation. In so doing, it was possible to identify 1-adamantylamine as contamination of the landfill in the drinking water at a concentration in the range of 20 ng L⁻¹. To support the identification of relevant compounds and their transformation products, the DAIOS database (Database-Assisted Identification of Organic Substances) was used. This database concept includes some functions such as product ion search to increase the efficiency of the database query after the screening. To identify related transformation products the database function “transformation tree” was used.     

Estimating the contribution of industrial facilities to annual PM10 concentrations at industrially influenced sites

If measures to reduce the industrial discharge of PM10 shall be planned with high accuracy, a first step must be to estimate the contribution of single industrial facilities to the overall PM10 burden as accurately as possible. In northern Duisburg as an example, an area where iron and steel producing industry is concentrated, PM10 was measured at 4 sampling sites very close to an industrial complex of blast furnaces, a sinter plant, oxygen steel works and a coke oven plant for 9 months in 2006. At two sites metals in PM10 were determined. The results, together with analytical data of urban background sites in the region and data of wind direction and wind speed were used for an estimation of the contribution of single plants to the PM10 burden. A careful analysis of the data showed, that the data of PM10, calcium, iron and zinc measured at two sites close to the industrial area and information about the urban background aerosol were sufficient to calculate the PM10 contribution of the main single plants. The data could be compared with those of modelling.     

über die Notwendigkeit der wirkungsorientierten Analytik in einer umfassenden Wasserforschung

Ohne Zusammenfassung Verantwortliche Herausgeber: Jan Schwarzbauer · Peter Heininger · Evelyn Claus

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Climate change adaptation and sustainable regional development: a case study for the Federal State of Brandenburg, Germany

Located in a relatively dry region and characterized by mainly sandy soils, the German Federal State of Brandenburg (surrounding the capital city of Berlin) is especially vulnerable to climate change impacts (e.g., summer droughts) and cascading effects on ecological systems (e.g., decreasing ground water tables, water stress, fire risk, productivity losses) with socioeconomic implications. Furthermore, a complex interplay of unemployment, rural exodus, and an aging population challenges this structurally weak region. We discuss adaptation measures that are either implemented or planned, as well as research into adaptation strategies to climate change for the sectors forestry, agriculture, and water management as well as in nature conservation in light of socioeconomic and ecological challenges and benefits. In doing so, we adopt a systemic view of Brandenburg where the sectors discussed are seen as subsystems embedded in a larger regional system. This at least partially holarchical approach enables the identification of conflicts between adaptation measures, but also of synergies among the sectors that pertain to successful adaptation to climate change. The insights gained ultimately highlight the need for cross-sectoral, adaptive management practices that jointly target a sustainable regional development.     

Photolysis of flumequine: identification of the major phototransformation products and toxicity measures

Direct photolysis of flumequine (FLU, 20 mg L⁻¹) in different types of water (demineralised water (DW) and synthetic seawater (SW)), was conducted in a Suntest CPS + solar simulator to evaluate its persistence and toxicity, and to identify the major phototransformation products (PTPs) generated during photolysis in DW. It was observed that FLU is susceptible to transformation when subjected to direct solar radiation. The composition of the water affects the FLU degradation kinetics, which is slower in SW. Photolytic transformation products generated during direct photolysis were identified by liquid chromatography-time of flight-mass spectrometry (LC-TOF-MS). Fourteen PTPs generated in DW were identified. The transformation of FLU begins with the opening of the heterocyclic ring by oxidation of the double bond. Loss of the fluorine atom and the hydroxylation of the aromatic ring also appear as the majority, especially in the early stages. Comparative acute toxicity evaluation by Vibrio fischeri and Daphnia magna bioassays was performed for the first and last irradiated solutions in both matrices studied. These bioassays demonstrated that in the SW matrix, the most persistent PTPs are highly toxic to D. magna but less so to V. fischeri.     

Occurrence of perfluorinated organic acids in the North and Baltic Seas. Part 2: distribution in sediments

Purpose  

The distribution of polar perfluorinated compounds (PFCs) in sea water of the North and Baltic Seas has been described in part 1 of this study. In part 2, their occurrence in sediments is described in order to further investigate their distribution routes and possible sinks.     

Organochlorine compounds,nitro musks and perfluorinated substances in breast milk – Results from Bavarian Monitoring of Breast Milk 2007/8

The aim of the Bavarian Monitoring of Breast Milk (BAMBI) project was to examine 10 organochlorine pesticides (OPs), 3 nitro musks, 6 indicator polychlorinated biphenyls (PCBs), 7 polychlorinated dibenzo-p-dioxins (PCDDs), 10 polychlorinated dibenzofurans (PCDFs), 12 dioxin-like PCBs (dl-PCBs) and several perfluorinated alkyl compounds in breast milk samples. A total of 516 breast milk samples were collected from seven regions in Bavaria and were analyzed by means of GC/ECD, GC/HRMS, and LC/MS-MS.     

Robust trend tests with application to toxicology

In most real data situations in the one-way design both the underlying distribution and the shape of the dose-response curve are a priori unknown. The power of a trend test strongly depends on both. However, tests which are routinely used to analyze toxicological assays must be robust. We use nonparametric tests with different scores—powerful for different distributions—and different contrasts—powerful for different shapes—and use the maximum of all test statistics as a new test statistic. Simulation results indicate that this maximum test, which is a nonparametric multiple contrast test, stabilizes the power for various shapes and distributions. The investigated tests are applied to the data of a toxicological assay.     

Kombinationswirkungen von Umweltchemikalien in der Ökotoxikologie

Ecosystems and biocoenoses are exposed to multiple mixtures of environmental pollutants, but the usual risk assessment of chemical toxicities is focussed only on the judgement of single substance toxicity. With the two biometrical models concentration-addition and independent action known from pharmacology and toxicology, a pragmatic way for the analysis of combined effects is possible using the experimental knowledge of single substance toxicity. A short introduction to the models is given and an appropriate experimental design for mixture toxicity analysis is outlined. The principal suitability of the concepts was verifed in two different bioassays (green alga; luminescent bacterium) with the analysis of binary and multiple mixture toxicities of environmental chemicals. In this paper we present the results obtained with the green algae bioassay. Congruent results from the bioluminescence inhibition assay can be found in Grimme (1998). The results obtained indicate that the toxicities of mixtures of chemicals can be studied experimentally, even at low concentrations of the individual components. Mixture toxicities were detected at low, statistically non-significantly acting concentrations of the single compounds. These results force one to take mixture toxicities into account when environmental standards are established.     

A review of the PGM industry,deposit models and exploration practices: Implications for Australia's PGM potential

Australia is prospective for platinum group metal (PGM) mineralisation (in particular primary magmatic reef, primary magmatic by-product, late magmatic and hydrothermal, and alluvial placer type) but its known PGM endowment is negligible compared to that of South Africa, Russia, the USA and Canada. Most Australian PGM projects are operated by mid-cap or junior companies and form part of larger, more diverse project portfolios held by these explorers. Most projects were ‘hot’ while market conditions were favourable. However, as other metals became ‘fashionable’ and market conditions for PGM changed, so did the focus of these companies. Pure PGM companies are rare in Australia. The search for and development of PGM-only deposits in Australia are high risk business activities. No new primary PGM deposits have been discovered since the mid to late 1980s and none of the significant deposits that were discovered or evaluated in the 1980s have been mined. This review suggests that at least several A$10 million but more likely several A$100 million were sunk into PGM exploration and development projects but none advanced to the mining stage. The viability of Australian PGM projects is very sensitive to (1) metal prices, (2) the US$/A$ exchange rate, and (3) large capital expenditure requirements relative to the small size of Australian PGM-only deposits. Most PGM-only projects were initiated at times of high PGM prices. However, advanced exploration, feasibility studies and project development always lagged behind the price booms. South Africa, Russia and Canada contain approximately 98% of the known global PGM reserves. This situation has a very negative effect on the Australian PGM industry as the well-endowed nations continue to receive the lion's share of exploration spend and new projects.