Geo-referenced simulations of E. coli in a sub-catchment of the Vecht River using a probabilistic approach.

The proportion of wild swimmers at non-official bathing sites has increased during the Covid-19 pandemic. Bathing water quality at designated sites is monitored through analysis of the concentration of fecal indicator bacteria such as E. coli.

(Antibiotic-Resistant) in the Dutch-German Vecht Catchment─Monitoring and Modeling.

Fecally contaminated waters can be a source for human infections. We investigated the occurrence of fecal indicator bacteria () and antibiotic-resistant , namely, extended spectrum beta-lactamase (ESBL)-producing (ESBL-EC) and carbapenemase-producing (CP-EC) in the Dutch-German transboundary catchment of the Vecht River. Over the course of one year, bacterial concentrations were monitored in wastewater treatment plant (WWTP) influents and effluents and in surface waters with and without WWTP influence.

Ecological Risk Assessment of Pharmaceuticals in the Transboundary Vecht River (Germany and The Netherlands).

Millions of people rely on active pharmaceutical ingredients (APIs) to prevent and cure a wide variety of illnesses in humans and animals, which has led to a steadily increasing consumption of APIs across the globe and concurrent releases of APIs into the environment. In the environment, APIs can have a detrimental impact on wildlife, particularly aquatic wildlife. Therefore, it is essential to assess their potential adverse effects to aquatic ecosystems.

Geo-referenced simulation of pharmaceuticals in whole watersheds: application of GREAT-ER 4.1 in Germany.

The geo-referenced regional exposure assessment tool for European rivers (GREAT-ER) is designed to support river basin management or the implementation process within the EU Water Framework Directive by predicting spatially resolved exposure concentrations in whole watersheds. The usefulness of the complimentary application of targeted monitoring and GREAT-ER simulations is demonstrated with case studies for three pharmaceuticals in selected German watersheds. Comparison with monitoring data corroborates the capability of the probabilistic model approach to predict the expected range of spatial surface water concentrations.

Numerical evaluation of bioaccumulation and depuration kinetics of PAHs in Mytilus galloprovincialis.

Polycyclic aromatic hydrocarbons (PAHs) are important organic pollutants in the aquatic environment due to their persistence and bioaccumulation potential both in organisms and in sediments. Benzo(a)anthracene (BaA) and phenanthrene (PHE), which are in the priority pollutant list of the U.S.

Occurrence and spatial distribution of microplastics in sediments from Norderney.

The spatial distribution of small potential microplastics (SPM) (<1 mm) in beach sediments was studied on a 500 m stretch of the North Sea island of Norderney. Their correlation with visible plastic debris (VPD) (>1 mm) was also examined. Small microparticles were extracted from 36 one kg sediment samples and analysed by visual microscopic inspection and partly by thermal desorption pyrolysis gas chromatography/mass spectrometry.

Microplastics in freshwater ecosystems: what we know and what we need to know.

Background: While the use of plastic materials has generated huge societal benefits, the 'plastic age' comes with downsides: One issue of emerging concern is the accumulation of plastics in the aquatic environment. Here, so-called microplastics (MP), fragments smaller than 5 mm, are of special concern because they can be ingested throughout the food web more readily than larger particles. Focusing on freshwater MP, we briefly review the state of the science to identify gaps of knowledge and deduce research needs.

Short-term extractability of sulfadiazine after application to soils.

The long-term environmental fate of the veterinary antibiotic sulfadiazine (SDZ) in soils is determined by a reversible sequestration into a residual fraction and an irreversible formation of non-extractable residues (NER), which can be described as first-order rate processes. However, the concentration dynamics of the resulting fractions of SDZ in soil show an unexplained rapid reduction of extractability during the first 24 h. We therefore investigated the short-term extractability of SDZ in two different soils under different SDZ application procedures over 24 h: with and without manure, for air-dried and for moist soils.

Occurrence and distribution of benzothiazole in the Schwarzbach watershed (Germany).

This study quantifies the regional distribution of the micropollutant benzothiazole (BT) in river water by sampling 15 river sites in the Schwarzbach watershed (about 400 km(2)) from November 2008 to February 2010. Additionally, wastewater samples from three municipal wastewater treatment plants (WWTPs) in Germany were analyzed. BT was detected in all wastewater influent and effluent samples as well as in all river water samples collected downstream of wastewater discharge.

Mechanistic link between uptake of sulfonamides and bacteriostatic effect: model development and application to experimental data from two soil microorganisms.

Sulfonamides (SA) are antibiotic compounds that are widely used as human and veterinary pharmaceuticals. They are not rapidly biodegradable and have been detected in various environmental compartments. Effects of sulfonamides on microbial endpoints in soil have been reported from laboratory incubation studies.

Measurement and modeling of bentazone in the river Main (Germany) originating from point and non-point sources.

A Water Framework Directive pilot project combines measured data and model approaches to calculate fluxes and mass balance of the pesticide bentazone in an 81 km section of the river Main (Germany). During the study period (six weeks in spring 2004) the observed bentazone inflow and outflow in the river section amounted to 52.8 and 53.

Assessing persistence and long-range transport potential of current-use pesticides.

Despite the fact that current-use pesticides (CUP) have different chemical properties to first-generation organochlorine products, the long-term and long-range environmental behavior of these chemicals is still unclear. Data for 45 active ingredients of CUPs were collected, most of which originate from the results of simulation tests submitted for authorization. According to the Stockholm Convention on persistent organic pollutants (POPs), two of the 45 CUPs exceed both screening level criteria for persistence and long-range transport potential (LRTP).

Fate of beta-blocker human pharmaceuticals in surface water: comparison of measured and simulated concentrations in the Glatt Valley Watershed, Switzerland.

This study focused on the occurrence and fate of four beta-blockers (atenolol, sotalol, metoprolol, propranolol) in wastewater and surface water. Measured concentrations were compared with predicted concentrations using an implementation of the geo-referenced model GREAT-ER for the Glatt Valley Watershed (Switzerland). Particularly, the question was addressed how measured and simulated data could complement each other for the exposure assessment of human pharmaceuticals and other micropollutants entering surface water through wastewater treatment plants (WWTP).

A conceptual model describing the fate of sulfadiazine and its metabolites observed in manure-amended soils.

Sulfadiazine (SDZ) belongs to the chemical class of sulfonamides, one of the most important groups of antibiotics applied in animal husbandry in Europe. These antibiotics end up in the soil after manure from treated animals is applied as fertilizer. They can inhibit soil microbial functions and enhance the spread of resistance genes among soil microorganisms.

Geo-referenced modeling of zinc concentrations in the Ruhr river basin (Germany) using the model GREAT-ER.

Zinc enters surface waters from a variety of different emission sources. The geo-referenced model GREAT-ER (Geo-referenced Regional Exposure Assessment Tool for European Rivers) was applied to simulate spatially resolved zinc concentrations in the Ruhr river basin. The model links geo-referenced emissions (loads) to concentrations at local and regional scales and allows for evaluating the relative importance of emission sources.

Analysis of potassium formate in airport storm water runoff by headspace solid-phase microextraction and gas chromatography-mass spectrometry.

Potassium formate was extracted from airport storm water runoff by headspace solid-phase microextraction (HS-SPME) and analyzed by GC-MS. Formate was transformed to formic acid by adding phosphoric acid. Subsequently, formic acid was derivatized to methyl formate by adding methanol.

Analysis of explosives using electrospray ionization/ion mobility spectrometry (ESI/IMS).

The analysis of explosives with ion mobility spectrometry (IMS) directly from aqueous solutions was shown for the first time using an electrospray ionization technique. The IMS was operated in the negative mode at 250 degrees C and coupled with a quadrupole mass spectrometer to identify the observed IMS peaks. The IMS response characteristics of trinitrotoluene (TNT), 2,4-dinitrotoluene (2,4-DNT), 2-amino-4,6-dinitrotoluene (2-ADNT), 4-nitrotoluene (4-NT), trinitrobenzene (TNB), cyclo-1,3,5-trimethylene-2,4,6-trinitramine (RDX), cyclo-tetramethylene-tetranitramine (HMX), dinitro-ethyleneglycol (EGDN) and nitroglycerine (NG) were investigated.

Surface water concentrations of the fragrance compound OTNE in Germany--a comparison between data from measurements and models.

Emissions of the fragrance compound OTNE (Iso-E-Super) to surface waters have been investigated by means of a combined analytical (measurements) and modeling approach. The compound is an ingredient in many household products and is emitted into surface waters almost exclusively via the wastewater pathway. Measured concentrations of OTNE in surface waters of the Ruhr river catchment basin ranged from 30 to 100 ng L(-1), and were thus in the same order of magnitude as the polycyclic musks AHTN and HHCB.

Emissions of OTNE (Iso-E-super) - mass flows in sewage treatment plants.

The fate and mass flows of OTNE ([1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethylnaphthalen-2yl]ethan-1-one) which is commercialized as Iso-E-Super were studied in three large scale sewage treatment plants (STPs) in detail. The results are compared to 14 smaller ones located in Germany and Switzerland. OTNE inflow concentrations ranged from 4000 to 13,000 ngl(-1) while the effluent concentrations ranged from 500 to 6,900 ngl(-1).

Determination of soil biodegradation half-lives from simulation testing under aerobic laboratory conditions: a kinetic model approach.

A kinetic model approach for determination of biodegradation half-lives from soil simulation testing is presented. The model describes transformation of the parent compound to metabolites and formation of bound (non-extractable) residues as well as mineralization in soil under aerobic laboratory conditions. Experimental data for several pesticide compounds from various soil simulation tests are used for fitting kinetic rate constants.

A mechanistical model for the uptake of sulfonamides by bacteria.

The uptake of sulfonamides into bacterial cells was simulated by a dynamic model to estimate bioavailability and steady-state accumulation of sulfonamides in the cells. Uptake of sulfonamides is modeled as diffusion-like transport of the neutral molecule and the ionic species. Speciation outside and inside the cell depends on the extra- and intracellular pH and the pK(a)-value of the antibiotic active SO(2)NH moiety.

Application of multimedia models for screening assessment of long-range transport potential and overall persistence.

We propose a multimedia model-based methodology to evaluate whether a chemical substance qualifies as POP-like based on overall persistence (Pov) and potential for long-range transport (LRTP). It relies upon screening chemicals against the Pov and LRTP characteristics of selected reference chemicals with well-established environmental fates. Results indicate that chemicals of high and low concern in terms of persistence and long-range transport can be consistently identified by eight contemporary multimedia models using the proposed methodology.

Influence of distributional shape of substance parameters on exposure model output.

Uncertainty of environmental concentrations is calculated with the regional multimedia exposure model of EUSES 1.0 by considering probability input distributions for aqueous solubility, vapor pressure, and octanol-water partition coefficient, K(ow). Only reliable experimentally determined data are selected from available literature for eight reference chemicals representing a wide substance property spectrum.

Comparing estimates of persistence and long-range transport potential among multimedia models.

Overall persistence (Pov) and long-range transport potential (LRTP) of organic chemicals are environmental hazard metrics calculated with multimedia fate and transport models. Since there are several models of this type, it is important to know whether and how different model designs (model geometry, selection of compartments and processes, process descriptions) affect the results for Pov and LRTP. Using a set of 3175 hypothetical chemicals covering a broad range of partition coefficients and degradation half-lives, we systematically analyze the Pov and LRTP results obtained with nine multimedia models.

Determination of Henry's law constant for methyl tert-butyl ether (MTBE) at groundwater temperatures.

The dimensionless Henry's law constant was determined for methyl tert-butyl ether (MTBE) at six temperatures (3, 5, 10, 15, 20 and 25 degrees C) by using a thermostatted flask (430 ml) containing an aqueous MTBE solution. The ratio between the gas phase and the water phase in the flask was approximately 1.7:1.