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.     

Evaluation of environmental magnetic pollution screening in soils of basaltic origin: results from Nashik Thermal Power Station, Maharashtra, India

Background, aim, and scope

Soils of basaltic origin cause difficulties in environmental magnetic screening for heavy metal pollution due to their natural high background values. Magnetic parameters and heavy metal content of highly magnetic topsoils from the Deccan Trap basalts are investigated to assess their potential for use in environmental magnetic pollution screening. This work extends the fast and cost-effective magnetic pollution screening techniques into soils with high natural magnetic signals.

Materials and methods

Fifty-five topsoil samples from N?CS and W?CE transects were collected and subdivided according to grain size using wet sieving technique. Magnetic susceptibility, soft isothermal remanent magnetization (Soft IRM), thermomagnetic analysis, scanning electron microscopy (SEM), and heavy metal analysis were performed on the samples.

Results

Magnetic analyses reveal a significant input of anthropogenic magnetic particulate matter within 6 km of the power plant and the adjacent ash pond. Results depend strongly on the stage of soil development and vary spatially. While results in the W, E, and S directions are easily interpretable, in the N direction, the contribution of the anthropogenic magnetic matter is difficult to assess due to high magnetic background values, less developed soils, and a more limited contribution from the fly ash sources. Prevailing winds towards directions with more enhanced values seem to have a certain effect on particulate matter accumulation in the topsoil. Thermomagnetic measurements show Verwey transition and Hopkinson peak, thus proving the presence of ferrimagnetic mineral phases close to the pollution source. A quantitative decrease of the anthropogenic ferrimagnetic mineral concentration with increased distance is evident in Soft IRM measurements. SEM investigations of quantitatively extracted magnetic particles confirm the fly ash distribution pattern obtained from the magnetic and heavy metal analyses. Evaluation of magnetic and chemical data in concert with the Pollution Load IndiceS (PLIS) of Pb, Zn, and Cu reveals a good relationship between magnetic susceptibility and the metal content.

Conclusions

Integrated approaches in data acquisition of magnetic and chemical parameters enable the application of magnetic screening methods in highly magnetic soils. Combined data evaluation allows identification of sampling sites that are affected by human activity, through the deviation of the magnetic and chemical data from the general trend. It is shown that integrative analysis of magnetic parameters and a limited metal concentration dataset can enhance the quality of the output of environmental magnetic pollution screening significantly.     

Measuring atmospheric composition change

Scientific findings from the last decades have clearly highlighted the need for a more comprehensive approach to atmospheric change processes. In fact, observation of atmospheric composition variables has been an important activity of atmospheric research that has developed instrumental tools (advanced analytical techniques) and platforms (instrumented passenger aircrafts, ground-based in situ and remote sensing stations, earth observation satellite instruments) providing essential information on the composition of the atmosphere. The variability of the atmospheric system and the extreme complexity of the atmospheric cycles for short-lived gaseous and aerosol species have led to the development of complex models to interpret observations, test our theoretical understanding of atmospheric chemistry and predict future atmospheric composition. The validation of numerical models requires accurate information concerning the variability of atmospheric composition for targeted species via comparison with observations and measurements.In this paper, we provide an overview of recent advances in instrumentation and methodologies for measuring atmospheric composition changes from space, aircraft and the surface as well as recent improvements in laboratory techniques that permitted scientific advance in the field of atmospheric chemistry. Emphasis is given to the most promising and innovative technologies that will become operational in the near future to improve knowledge of atmospheric composition. Our current observation capacity, however, is not satisfactory to understand and predict future atmospheric composition changes, in relation to predicted climate warming. Based on the limitation of the current European observing system, we address the major gaps in a second part of the paper to explain why further developments in current observation strategies are still needed to strengthen and optimise an observing system not only capable of responding to the requirements of atmospheric services but also to newly open scientific questions.     

The Development of a Sampling System for the Determination of Odor Emission Rates from Areal Surfaces: Part II. Mathematical Model

Abstract

An improved design for an odor emission hood was examined in the laboratory using ammonia emission from a water surface. The experimental ammonia convective mass transfer coefficients from a diluted ammonia solution were determined at velocities of 0.3 m/s to 0.8 m/s using the odor emission hood. The theoretical ammonia convective mass transfer coefficients were also predicted by boundary layer theory under laminar flow conditions. It was found that experimental data were only 10% below theoretical predictions at an air velocity of 0.3 m/s to 0.6 m/s. The maximum velocity was limited to 0.6 m/s by the geometric size, shape and aerodynamic stability of the hood. At 0.33 m/s, the smallest variation of mass transfer coefficients was measured. The odor emission rate was found to be a function of air velocity to the power 0.5 in accordance with boundary layer theory. An odor sampling system based upon the odor emission hood provides a way to quantify the potential odor emission strength in sewage treatment plants, for odor dispersion modeling and odor control.     

Inhibition of rainbow trout acetylcholinesterase by aqueous and suspended particle-associated organophosphorous insecticides

Cadmium (Cd) adsorption on 14 non-calcareous New Jersey soils was investigated with a batch method. Both adsorption edge and isotherm experiments were conducted covering a wide range of soil composition, e.g. soil organic carbon (SOC) concentration ranging from 0.18% to 7.15%, and varying Cd concentrations and solution pH. The SOC and solution pH were the most important parameters controlling Cd partition equilibrium between soils and solutions in our experimental conditions. The Windermere humic aqueous model (WHAM) was used to calculate Cd adsorption on soils. The effect of solution chemistry (various pH and Cd concentrations) on Cd adsorption can be well accounted for by WHAM. For different soil compositions, SOC concentration is the most important parameter for Cd binding. Only a fraction of SOC, the so-called active organic carbon (AOC), is responsible for Cd binding. We found a linear relationship between SOC and AOC based on the adsorption edge data. The linear relationship was validated by the independent data sets: adsorption isotherm data, which presumably can be used to predict Cd partition equilibrium across a wide range of soil compositions. The modeling approach presented in this study helps to quantitatively predict Cd behavior in the environment.     

Modelling heavy metal fluxes from traffic into the environment

A new method is presented which allows emissions of traffic into the environment to be described as a function of road distance. The method distinguishes different types of emissions (runoff, spray and drift), which are determined by measurements and mass balances of a specified road section. The measurement of two-dimensional pollutant concentrations in the road shoulder is an important part of the method. In a case study performed at Burgdorf, Switzerland, the method was applied to the determination of the spatial distribution of heavy metal emissions. The results show that between 36 and 65% of the heavy metals Cd, Cr, Cu, Pb and Zn are present in runoff and spray and between 35 and 64% are dispersed diffusely in the environment (defined as drift). The runoff infiltrates into the vegetated road shoulder up to a distance of approx. 1 m from the road. The distribution of spray shows a maximum at 1 m and decreases steadily up to a distance of 5 m. This information can serve as a basis for the quantitative evaluation of road-runoff treatment scenarios. Although the results of the Burgdorf study are case-specific, several general guidelines for the reduction of traffic-related emissions can be derived from it.     

Formation of oxidation by-products of the iodinated X-ray contrast medium iomeprol during ozonation

The present work describes the investigation of the formation of oxidation by-products of the iodinated X-ray contrast medium (ICM) iomeprol during ozonation in water treatment. Bench-scale investigations revealed that ICM can be partly oxidized during ozonation processes, whereas the ionic diatrizoic acid showed the lowest reactivity. Iomeprol, as a representative of ICM, was not fully mineralized during ozonation. Thus, unknown oxidation by-products were formed. Aqueous solutions of iomeprol were treated by ozonation in order to assess the formation of oxidation by-products. The by-products were characterized by different liquid chromatography methods including detection of single-stage mass spectra, product ion mass spectra, and induced in-source fragmentation for analysis of iodine containing oxidation by-products. Aldehyde and carbonyl containing compounds were proposed to be among the stable by-products. A derivatization step confirms that the aldehyde and carbonyl moieties are major functional groups in oxidation by-products of iomeprol. Furthermore, oxidation by-products of iomeprol were detected at the outlet of an ozone reactor at a full-scale waterworks. However, the toxicological relevance of the by-products is a major future research tasks.     

In their words: How Detroit residents perceive the effects of their physical environment

Abstract

This article examines results from in-depth interviews conducted with parents of children with asthma living in an urban environment. We examine themes from the in-depth interviews related to participants' perceptions of the influence of their physical environment on their mental and physical health, and the actions that they take in an effort to protect their health within this context. The findings from this study suggest several implications for understanding the interface between the physical environment of urban communities and residents' health, as well as for the policy and practice of risk assessment strategies.     

Pesticide risk mitigation by vegetated treatment systems: a meta-analysis

Pesticides entering agricultural surface waters threaten water quality and aquatic communities. Recently, vegetated treatment systems (VTSs) (e.g., constructed wetlands and vegetated ditches) have been proposed as pesticide risk mitigation measures. However, little is known about the effectiveness of VTSs in controlling nonpoint source pesticide pollution and factors relevant for pesticide retention within these systems. Here, we conducted a meta-analysis on pesticide mitigation by VTSs using data from the scientific literature and the European LIFE ArtWET project. Overall, VTSs effectively reduced pesticide exposure levels (i.e., the majority of pesticide retention performances was >70%). A multiple linear regression analysis of 188 retention performance cases identified the two pesticide properties, organic carbon sorption coefficient value and water-phase 50% dissipation time, as well as the VTS characteristics overall plant coverage and hydraulic retention time for targeting high efficacy of pesticide retention. The application of a Tier I risk assessment (EU Uniform Principle) revealed a higher toxicity reduction for hydrophobic and nonpersistent insecticides compared with less sorptive and not readily degradable herbicides and fungicides. Overall, nearly half (48.5%) of all pesticide field concentrations ( = 130) failed Tier I standard risk assessment at the inlet of VTSs, and 29.2% of all outlet concentrations exceeded conservative acute threshold levels. We conclude that VTSs are a suitable and effective risk mitigation strategy for agricultural nonpoint source pesticide pollution of surface waters. Further research is needed to improve their overall efficacy in retaining pesticides.     

LIMPACT: Ein Expertensystem zur Abschätzung der Pflanzenschutzmittel-Belastung kleiner Fließgewässer mittels der Makroinvertebraten-Fauna

The development and the evaluation of a biological indicator system for pesticide pollution in streams are presented. For small headwater streams with an agricultural catchment area, the expert system LIMPACT estimates the pesticide contamination according to the four classes of Not Detected, Low, Moderate and High contamination without any specification of the chemical agents. The input parameters are the abundance data of benthic macroinvertebrate taxa within four time frames in a year (March/April; May/June; July/August; September/October) and 9 basic water-quality and morphological parameters. The heuristic knowledge base was developed with the shell-kit D3 and contains diagnostic rules with scores to either establish or de-establish a contamination class. We differentiate between positive indicator taxa, which indicate contamination by high abundance values and positive abundance dynamics, and negative indicator taxa, a high abundance of which rules out contamination and indicates an uncontaminated site. We analysed 39 taxa and found 13 positive and 24 negative indicators. The database is comprised of 157 investigations per stream and year. For the evaluation of LIMPACT, we used the same cases. The correct diagnosis for the 157 investigations per stream and year is established by LIMPACT in 66.7 to 85.5% of the cases, with better results for uncontaminated sites. In most of the remaining cases no diagnosis is established instead of an incorrect one.