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1.
Chemosphere ; : 143277, 2024 Sep 09.
Article in English | MEDLINE | ID: mdl-39260594

ABSTRACT

Despite our growing awareness of micro-and nanoplastics presence in food and beverages, the fate of nanoplastics (NPs) in the human gastrointestinal tract (GIT) remains poorly investigated. Changes of nanoplastics size upon digestive conditions influence the potential of absorption through the intestine. In this study, polymer nanoparticles with different physicochemical properties (size, surface and chemistry) were submitted to gastrointestinal digestion (GID) simulated in vitro. Their agglomeration behaviour was measured with a unique set of analytical approaches, allowing to study NPs' interactions with the digestive enzymes. Smaller NPs agglomerated more, narrowing the overall particle size distribution of smaller and larger NPs. NPs of different polymers exhibited heteroagglomeration. Digestive enzymes interact with the NPs, forming large but fragile agglomerates. In presence of the enzymes, even acid-functionalized NPs, typically stable in harsh conditions, agglomerated similarly to the non-functionalized PS NPs. These results highlight the role of the GID in increasing the effective size of ingested NPs, potentially reducing their ability to pass through the cell membranes. Our findings address a critical knowledge gap in nanoplastics oral uptake potential, providing a solid technical foundation for their characterization.

2.
J Environ Manage ; 368: 122108, 2024 Sep.
Article in English | MEDLINE | ID: mdl-39146655

ABSTRACT

The current use of chemicals puts pressure on human and ecological health. Based on the Aarhus Convention, citizens have the right to have access to information on substances in their local environment. Providing this information is a major challenge, especially considering complex mixtures, as the current substance-by-substance risk assessment may not adequately address the risk of co-exposure to multiple substances. Here, we provide an overview of the currently available indicators in the Netherlands to explore current scientific possibilities to indicate the impacts of complex chemical mixtures in the environment on human health and ecology at the local scale. This is limited to impact estimates on freshwater species for 701 substances, impact estimates of four metals on soil organisms, and impacts on human health for particulate matter (PM10) and nitrogen dioxide (NO2) in air. The main limiting factors in developing and expanding these indicators to cover more compartments and substances are the availability of emission and concentration data of substances and dose-response relationships at the population (human health) or community (ecology) level. As ways forward, we propose; 1) developing cumulative assessment groups (CAGs) for substances on the European Pollutant Transfer and Release Register and Water Framework Directive substance lists, to enable the development of mixture indicators based on mixture risk assessment and concentration addition principles; 2) to gain insight into local mixtures by also applying these CAGs to emission data, which is available for soil and air for more substances than concentrations data; 3) the application of analytical non-target screening methods as well as effect-based methods for whole-mixture assessment.


Subject(s)
Environmental Monitoring , Netherlands , Humans , Risk Assessment , Particulate Matter/analysis
3.
Environ Sci Technol ; 58(35): 15799-15806, 2024 Sep 03.
Article in English | MEDLINE | ID: mdl-39171677

ABSTRACT

Reverse osmosis (RO) is increasingly used in drinking water production to effectively remove micropollutants, such as perfluoroalkyl and polyfluoroalkyl substances (PFAS). However, RO membranes themselves may contain PFAS, which can potentially leach into treated drinking water. Leaching experiments and direct total oxidizable precursor assays revealed the presence and leaching potential of PFOS (branched and linear), PFBA, PFHxA, PFNA, and PFOA in five selected commercial RO membranes. This resulted in the release of tens of milligrams of ΣPFAS per membrane element used in drinking water production. Depending on assumptions made regarding leaching kinetics and volume of produced water per membrane element, predicted concentrations of ΣPFAS in the produced water ranged from less than one up to hundreds of pg/L. These concentrations are two to four orders of magnitude lower than those currently observed in Dutch drinking waters. The origin of PFAS in the membranes remains unclear. Further research is needed to bridge the gap between the laboratory conditions as used in this study and the real-world conditions and for a full understanding of potential leaching scenarios. Such an understanding is critical for water producers using RO technologies to proactively manage and mitigate potential PFAS contamination.


Subject(s)
Drinking Water , Fluorocarbons , Osmosis , Water Pollutants, Chemical , Water Purification , Drinking Water/chemistry , Fluorocarbons/analysis , Membranes, Artificial
4.
Chemosphere ; 351: 141237, 2024 Mar.
Article in English | MEDLINE | ID: mdl-38242512

ABSTRACT

As a result of proposed global restrictions and regulations on current-use per-and polyfluoroalkyl substances (PFAS), research on possible alternatives is highly required. In this study, phase I in vitro metabolism of two novel prototype PFAS in human and rat was investigated. These prototype chemicals are intended to be safer-by-design and expected to mineralize completely, and thus be less persistent in the environment compared to the PFAS available on the market. Following incubation with rat liver S9 (RL-S9) fractions, two main metabolites per initial substance were produced, namely an alcohol and a short-chain carboxylic acid. While with human liver S9 (HL-S9) fractions, only the short-chain carboxylic acid was detected. Beyond these major metabolites, two and five additional metabolites were identified at very low levels by non-targeted screening for the ether- and thioether-linked prototype chemicals, respectively. Overall, complete mineralization during the in vitro hepatic metabolism of these novel PFAS by HL-S9 and RL-S9 fractions was not observed. The reaction kinetics of the surfactants was determined by using the metabolite formation, rather than the substrate depletion approach. With rat liver enzymes, the formation rates of primary metabolite alcohols were at least two orders of magnitude higher than those of secondary metabolite carboxylic acids. When incubating with human liver enzymes, the formation rates of single metabolite carboxylic acids, were similar or smaller than those experienced in rat. It also indicates that the overall metabolic rate and clearance of surfactants are significantly higher in rat liver than in human liver. The maximum formation rate of the thioether congener exceeded 10-fold that of the ether in humans but were similar in rats. Overall, the results suggest that metabolism of the prototype chemicals followed a similar trend to those reported in studies of fluorotelomer alcohols.


Subject(s)
Fluorocarbons , Liver , Rats , Humans , Animals , Liver/metabolism , Ethers , Carboxylic Acids/metabolism , Sulfides/metabolism , Surface-Active Agents/metabolism , Fluorocarbons/metabolism
5.
Environ Toxicol Chem ; 42(11): 2302-2316, 2023 11.
Article in English | MEDLINE | ID: mdl-37589402

ABSTRACT

Per- and polyfluorinated substances (PFAS) are a group of thousands of ubiquitously applied persistent industrial chemicals. The field of PFAS environmental research is developing rapidly, but suffers from substantial biases toward specific compounds, environmental compartments, and organisms. The aim of our study was therefore to highlight current developments and to identify knowledge gaps and subsequent research needs that would contribute to a comprehensive environmental risk assessment for PFAS. To this end, we consulted the open literature and databases and found that knowledge of the environmental fate of PFAS is based on the analysis of <1% of the compounds categorized as PFAS. Moreover, soils and suspended particulate matter remain largely understudied. The bioavailability, bioaccumulation, and food web transfer studies of PFAS also focus on a very limited number of compounds and are biased toward aquatic biota, predominantly fish, and less frequently aquatic invertebrates and macrophytes. The available ecotoxicity data revealed that only a few PFAS have been well studied for their environmental hazards, and that PFAS ecotoxicity data are also strongly biased toward aquatic organisms. Ecotoxicity studies in the terrestrial environment are needed, as well as chronic, multigenerational, and community ecotoxicity research, in light of the persistency and bioaccumulation of PFAS. Finally, we identified an urgent need to unravel the relationships among sorption, bioaccumulation, and ecotoxicity on the one hand and molecular descriptors of PFAS chemical structures and physicochemical properties on the other, to allow predictions of exposure, bioaccumulation, and toxicity. Environ Toxicol Chem 2023;42:2302-2316. © 2023 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.


Subject(s)
Ecotoxicology , Fluorocarbons , Animals , Invertebrates , Risk Assessment , Research , Fluorocarbons/toxicity
6.
Chemosphere ; 339: 139563, 2023 Oct.
Article in English | MEDLINE | ID: mdl-37482315

ABSTRACT

In this study the environmental fate of two novel trifluoromethoxy-substituted surfactants with respectively an ether or thioether linkage were investigated, of which the design aimed for less persistency and complete mineralization. Long-term microbial transformation studies under aerobic conditions in activated sludge-wastewater medium were performed for 126 days. A semi-closed experimental system with a trapping sorbent was selected to avoid losses of possible volatile transformation products (TPs). The changes in the concentration of the surfactants and their expected TPs were monitored by target analysis using liquid chromatography-tandem mass spectrometry. Significant decrease in the concentration of the surfactants was observed over the incubation period. The main detected TPs were short-chained carboxylic acids (CAs), including a CA with two fluorinated carbon atoms representing the last product prior to mineralization. High stability of these CAs and lack in the formation of inorganic fluoride over the incubation time was however observed. Consequently, unequivocal final mineralization of the investigated surfactants could not be confirmed. Regarding the mass balance, the total amount of detected substances achieved only 30-37% of the expected concentration at the end of the incubation time. The reason of the incomplete mass balance should be further investigated.


Subject(s)
Surface-Active Agents , Water Pollutants, Chemical , Biotransformation , Mass Spectrometry , Wastewater , Sewage/chemistry , Carboxylic Acids , Water Pollutants, Chemical/analysis
7.
Water Res ; 241: 120157, 2023 Aug 01.
Article in English | MEDLINE | ID: mdl-37300966

ABSTRACT

Pharmaceuticals are known to widely occur in the environment and to affect the health of ecosystems. Sewage treatment plants (STPs) are main emission pathways for pharmaceuticals, which are often not sufficiently removed during wastewater treatment. In Europe, STP treatment requirements are specified under the Urban WasteWater Treatment Directive (UWWTD). The introduction of advanced treatment techniques, such as ozonation and activated carbon, under the UWWTD is expected to be an important option to reduce pharmaceutical emissions. In this study, we present a European-wide analysis of STPs reported under the UWWTD, their current treatment level and potential to remove a set of 58 prioritised pharmaceuticals. Three different scenarios were analysed to show 1) UWWTD present effectiveness, 2) the effectiveness at full UWWTD compliance, and 3) the effectiveness when advanced treatment is implemented at STPs with a treatment capacity of >100.000 person equivalents. Based on a literature study, the potential of individual STPs to reduce pharmaceutical emissions ranged from an average of 9% for STPs with primary treatment to 84% for STPs applying advanced treatment. Results of our calculations show that European-wide emission of pharmaceuticals can be reduced with 68% when large STPs are updated with advanced treatment, but spatial differences exist. We argue that adequate attention should also be paid with regards to preventing environmental impacts of STPs with a capacity <100.000 p.e. Circa 44% of total STP effluent is emitted near Natura2000 sites (EU nature protection areas). Of all surface waters receiving STP effluent for which the ecological status has been assessed under the Water Framework Directive, 77% have a status of less than good. Relatively often only primary treatment is applied to wastewater emitted into coastal waters. This analysis can be used to further model pharmaceutical concentrations in European surface waters, to identify STPs for which more advanced treatment might be required and to protect EU aquatic biodiversity.


Subject(s)
Sewage , Water Pollutants, Chemical , Humans , Sewage/analysis , Water Pollutants, Chemical/analysis , Ecosystem , Wastewater , Pharmaceutical Preparations , Environmental Monitoring/methods
8.
Sci Total Environ ; 890: 164420, 2023 Sep 10.
Article in English | MEDLINE | ID: mdl-37236451

ABSTRACT

A wide range of PFAS residues were studied in an aquifer used for drinking water production which was affected by historical PFAS contamination from a landfill and military camp. Samples were taken at three monitoring and four pumping wells at different depths ranging from 33 to 147 m below the land surface and analysed for a series of 53 PFAS (C2-C14) and PFAS precursors (C4-C24). A comparison of results to earlier research from 2013, with a more limited range of PFAS, showed decreasing concentrations and migration of PFAS with increasing depth and distance from the contamination source. The PFAS profile and branched/linear isomer ratio are used as source characterization tools. The landfill was confirmed to contaminate the groundwater in both monitoring wells, while the military camp was indicated as a probable source for PFAS observed in the deep sampling points of one of the monitoring wells. Pumping wells used to produce drinking water are not yet affected by these two PFAS sources. In one of the four sampled pumping wells, a different PFAS profile and isomer pattern was observed, which indicated a different but yet unknown source. This work shows the necessity of implementing regular screening to identify potential (historical) PFAS sources to be able to prevent future contaminant migration nearby and towards drinking water abstraction wells.


Subject(s)
Drinking Water , Fluorocarbons , Groundwater , Water Pollutants, Chemical , Drinking Water/chemistry , Environmental Monitoring , Water Pollutants, Chemical/analysis , Groundwater/chemistry , Fluorocarbons/analysis
9.
Environ Sci Process Impacts ; 25(6): 1067-1081, 2023 Jun 21.
Article in English | MEDLINE | ID: mdl-37199459

ABSTRACT

Measures are needed to protect water sources from substances that are mobile, persistent and toxic (PMT) or very persistent and very mobile (vPvM). PMT/vPvM substances are used in a diverse range of applications, including consumer products. The combined application of the essential-use and functional substitution concepts has been proposed to phase out substances of concern and support the transition to safer and more sustainable chemicals, a key goal of the European Commission's Chemicals Strategy for Sustainability. Here, we first identified the market share of PMT/vPvM containing cosmetic products. We found that 6.4% of cosmetic products available on the European market contain PMT or vPvM substances. PMT/vPvM substances were most often found in hair care products. Based on their high occurrence, the substances Allura red (CAS 25956-17-6), benzophenone-4 (CAS 4065-45-6) and climbazole (CAS 38083-17-9) were selected as case-studies for assessment of their functionality, availability of safer alternatives and essentiality. Following the functional substitution framework, we found that the technical function of Allura red was not necessary for the performance of some cosmetic products, making the use non-essential. For other applications of Allura red, as well as all applications of benzophenone-4 and climbazole, the technical function of the chemical was considered necessary for the performance. Via the alternative's assessment procedure, which used experimental and in silico data and three different multicriteria decision analysis (MCDA) strategies, safer alternatives were identified for all case-study chemicals. All assessed uses of PMT/vPvM substances were thus deemed non-essential and should consequently be phased out.


Subject(s)
Benzophenones , Cosmetics , Humans
10.
Environ Sci Technol ; 57(8): 3062-3074, 2023 02 28.
Article in English | MEDLINE | ID: mdl-36779784

ABSTRACT

This study investigates human exposure to per- and polyfluoroalkyl substances (PFAS) via drinking water and evaluates human health risks. An analytical method for 56 target PFAS, including ultrashort-chain (C2-C3) and branched isomers, was developed. The limit of detection (LOD) ranged from 0.009 to 0.1 ng/L, except for trifluoroacetic-acid and perfluoropropanoic-acid with higher LODs of 35 and 0.24 ng/L, respectively. The method was applied to raw and produced drinking water from 18 Dutch locations, including groundwater or surface water as source, and applied various treatment processes. Ultrashort-chain (300 to 1100 ng/L) followed by the group of perfluoroalkyl-carboxylic-acids (PFCA, ≥C4) (0.4 to 95.1 ng/L) were dominant. PFCA and perfluoroalkyl-sulfonic-acid (≥C4), including precursors, showed significantly higher levels in drinking water produced from surface water. However, no significant difference was found for ultrashort PFAS, indicating the need for groundwater protection. Negative removal of PFAS occasionally observed for advanced treatment indicates desorption and/or degradation of precursors. The proportion of branched isomers was higher in raw and produced drinking water as compared to industrial production. Drinking water produced from surface water, except for a few locations, exceed non-binding provisional guideline values proposed; however, all produced drinking waters met the recent soon-to-be binding drinking-water-directive requirements.


Subject(s)
Alkanesulfonic Acids , Drinking Water , Fluorocarbons , Groundwater , Water Pollutants, Chemical , Humans , Drinking Water/analysis , Drinking Water/chemistry , Environmental Monitoring/methods , Water Pollutants, Chemical/analysis , Groundwater/chemistry , Fluorocarbons/analysis , Carboxylic Acids , Alkanesulfonic Acids/analysis
11.
Water Res ; 222: 118878, 2022 Aug 15.
Article in English | MEDLINE | ID: mdl-35878520

ABSTRACT

This study aimed to provide insights into the risk posed by psychopharmaceuticals and illicit drugs in European surface waters, and to identify current knowledge gaps hampering this risk assessment. First, the availability and quality of data on the concentrations of psychopharmaceuticals and illicit drugs in surface waters (occurrence) and on the toxicity to aquatic organisms (hazard) were reviewed. If both occurrence and ecotoxicity data were available, risk quotients (risk) were calculated. Where abundant ecotoxicity data were available, a species sensitivity distribution (SSD) was constructed, from which the hazardous concentration for 5% of the species (HC5) was derived, allowing to derive integrated multi-species risks. A total of 702 compounds were categorised as psychopharmaceuticals and illicit drugs based on a combination of all 502 anatomical therapeutic class (ATC) 'N' pharmaceuticals and a list of illicit drugs according to the Dutch Opium Act. Of these, 343 (49%) returned occurrence data, while only 105 (15%) returned ecotoxicity data. Moreover, many ecotoxicity tests used irrelevant endpoints for neurologically active compounds, such as mortality, which may underestimate the hazard of psychopharmaceuticals. Due to data limitations, risks could only be assessed for 87 (12%) compounds, with 23 (3.3%) compounds indicating a potential risk, and several highly prescribed drugs returned neither occurrence nor ecotoxicity data. Primary bottlenecks in risk calculation included the lack of ecotoxicity data, a lack of diversity of test species and ecotoxicological end points, and large disparities between well studied and understudied compounds for both occurrence and toxicity data. This study identified which compounds merit concern, as well as the many compounds that lack the data for any calculation of risk, driving research priorities. Despite the large knowledge gaps, we concluded that the presence of a substantial part (26%) of data-rich psychopharmaceuticals in surface waters present an ecological risk for aquatic non-target organisms.


Subject(s)
Illicit Drugs , Water Pollutants, Chemical , Aquatic Organisms , Ecotoxicology , Environmental Monitoring , Psychotropic Drugs , Risk Assessment , Water Pollutants, Chemical/analysis
12.
Environ Int ; 166: 107356, 2022 Aug.
Article in English | MEDLINE | ID: mdl-35760029

ABSTRACT

BACKGROUND: Although drinking water in the Netherlands is generally accepted as safe, public concern about health risks of long-term intake still exist. OBJECTIVE: The aim was to explore associations between drinking water quality for nitrate, water hardness, calcium and magnesium and causes-of-death as related to cardiovascular diseases amongst which coronary heart disease and colorectal cancer. METHODS: We used national administrative databases on cause-specific mortality, personal characteristics, residential history, social economic indicators, air quality and drinking water quality for parameters specified by the EU Drinking Water Directive. We put together a cohort of 6,998,623 persons who were at least 30 years old on January 1, 2008 and lived for at least five years on the same address. The average drinking water concentration over 2000-2010 at the production stations were used as exposure indicators. We applied age stratified Cox proportional hazards models. RESULTS: Magnesium was associated with a reduced risk for mortality due to coronary heart diseases: HR of 0.95 (95% CI: 0.90, 0.99) per 10 mg/L increase. For mortality due to cardiovascular diseases, a 100 mg/L increase in calcium was associated with a HR of 1.08 (95% CI: 1.03, 1.13) and an increase of 2.5 mmol/L of water hardness with a HR of 1.06 (95% CI: 1.01, 1.10). The results show an elevated risk for coronary heart disease mortality at calcium concentrations below 30 mg/L, but over the whole exposure range no exposure response relation was observed. For other combinations of drinking water quality parameters and cause-specific mortality studied, no statistical significant associations were identified. CONCLUSION: We identified in this explorative study a protective effect of magnesium for the risk of mortality to coronary heart disease. Also we found an increased risk of mortality due to cardiovascular disease associated with the concentration of calcium and the water hardness in drinking water.

13.
Sci Total Environ ; 836: 155530, 2022 Aug 25.
Article in English | MEDLINE | ID: mdl-35489496

ABSTRACT

The widespread use of chemicals has led to significant water quality concerns, and their use is still increasing. Hence, there is an urgent need to understand the possible future trends in chemical emissions to water systems. This paper proposes a general framework for developing emission scenarios for chemicals to water using the Shared Socio-economic Pathways (SSPs) based on an emission-factor approach. The proposed approach involves three steps: (i) identification of the main drivers of emissions, (ii) quantification of emission factors based on analysis of publicly available data, and (iii) projection of emissions based on projected changes in the drivers and emission factors. The approach was tested in Europe for five chemical groups and on a national scale for five specific chemicals representing pharmaceuticals, pesticides, and industrial chemicals. The resulting emission scenarios show widely diverging trends of increased emissions by 240% for ibuprofen in SSP3 (regional rivalry) to a 68% decrease for diclofenac in SSP1 (sustainable development) by 2050. While emissions typically decrease in SSP1, they follow the historical trend in SSP2 (middle-of-the-road scenario) and show an increase in the regional rivalry scenario SSP3 for most selected chemicals. Overall, the framework allows understanding of future chemical emissions trends as a function of the socio-economic trends as captured in the SSPs. Our scenarios for chemical emissions can thus be used to model future aqueous emissions to support risk assessment. While the framework can be easily extended to other pharmaceuticals and pesticides, it heavily leans on the availability and quality of historical emission data and a detailed understanding of emission sources for industrial chemicals.


Subject(s)
Pesticides , Water Quality , Europe , Pharmaceutical Preparations , Socioeconomic Factors
14.
Chemosphere ; 296: 134050, 2022 Jun.
Article in English | MEDLINE | ID: mdl-35189194

ABSTRACT

Persistency of chemicals in the environment is seen a pressing issue as it results in accumulation of chemicals over time. Persistent chemicals can be an asset in a well-functioning circular economy where products are more durable and can be reused or recycled. This objective can however not always be fulfilled as release of chemicals from products into the environment can be inherently coupled to their use. In these situations, chemicals should be designed for degradation. In this study, a systematic and computer-aided workflow was developed to facilitate the chemical redesign for reduced persistency. The approach includes elements of Essential Use, Alternatives Assessment and Green and Circular Chemistry and ties into goals recently formulated in the context of the EU Green Deal. The organophosphate chemical triisobutylphosphate (TiBP) was used as a case study for exploration of the approach, as its emission to the environment was expected to be inevitable when used as a flame retardant. Over 6.3 million alternative structures were created in silico and filtered based on QSAR outputs to remove potentially non-readily biodegradable structures. With a multi-criteria analysis based on predicted properties and synthesizability a top 500 of most desirable structures was identified. The target structure (di-n-butyl (2-hydroxyethyl) phosphate) was manually selected and synthesized. The approach can be expanded and further verified to reach its full potential in the mitigation of chemical pollution and to help enable a safe circular economy.


Subject(s)
Environmental Pollution , Flame Retardants , Computers
16.
Water Res ; 207: 117789, 2021 Dec 01.
Article in English | MEDLINE | ID: mdl-34731667

ABSTRACT

Illicit drug use is complex, hidden and often highly stigmatized behaviour, which brings a vast challenge for drug surveillance systems. Drug consumption can be estimated by measuring human excretion products in untreated wastewater, known as wastewater-based epidemiology (WBE). Over the last decade, the application of wastewater-based epidemiology to monitor illicit drug loads increased and WBE is currently applied on a global scale. Studies from over the globe are evaluated with regard to their sampling method, analytical accuracy and consumption calculation, aiming to further reduce relevant uncertainties in order to make reliable comparisons on a global level. Only a limited number is identified as high-quality studies, so further standardization of the WBE approach for illicit drugs is desired especially with regard to the sampling methodology. Only a fraction of the reviewed papers explicitly reports uncertainty ranges for their consumption data. Studies which had the highest reliability are recently published, indicating an improvement in reporting WBE data. Until now, WBE has not been used in large parts of Africa, nor in the Middle East and Russia. An overview of consumption data across the continents on commonly studied drugs (cocaine, MDMA, amphetamine and methamphetamine) is provided. Overall, high consumption rates are confirmed in the US, especially for cocaine and methamphetamine, while relatively low illicit drug consumption is reported in Asia.


Subject(s)
Illicit Drugs , Water Pollutants, Chemical , Humans , Reproducibility of Results , Substance Abuse Detection , Wastewater/analysis , Wastewater-Based Epidemiological Monitoring , Water Pollutants, Chemical/analysis
17.
Sci Total Environ ; 794: 148727, 2021 Nov 10.
Article in English | MEDLINE | ID: mdl-34323756

ABSTRACT

There is public and scientific concern about air, soil and water contamination and possible adverse environmental and human health effects as a result of hydraulic fracturing activities. The use of greener chemicals in fracturing fluid aims to mitigate these effects. This study compares fracturing fluids marketed as either 'conventional' or 'green', as assessed by their chemical composition and their toxicity in bioassays. Chemical composition was analysed via non-target screening using liquid chromatography - high resolution mass spectrometry, while toxicity was evaluated by the Ames fluctuation test to assess mutagenicity and CALUX reporter gene assays to determine specific toxicity. Overall, the results do not indicate that the 'green' fluids are less harmful than the 'conventional' ones. First, there is no clear indication that the selected green fluids contain chemicals present at lower concentrations than the selected conventional fluids. Second, the predicted environmental fate of the identified compounds does not seem to be clearly distinct between the 'green' and 'conventional' fluids, based on the available data for the top five chemicals based on signal intensity that were tentatively identified. Furthermore, Ames fluctuation test results indicate that the green fluids have a similar genotoxic potential than the conventional fluids. Results of the CALUX reporter gene assays add to the evidence that there is no clear difference between the green and conventional fluids. These results do not support the claim that currently available and tested green-labeled fracturing fluids are environmentally more friendly alternatives to conventional fracturing fluids.


Subject(s)
Hydraulic Fracking , Biological Assay , Chromatography, Liquid , Humans , Water Pollution
18.
J Cheminform ; 13(1): 1, 2021 Jan 06.
Article in English | MEDLINE | ID: mdl-33407901

ABSTRACT

Mass spectrometry based non-target analysis is increasingly adopted in environmental sciences to screen and identify numerous chemicals simultaneously in highly complex samples. However, current data processing software either lack functionality for environmental sciences, solve only part of the workflow, are not openly available and/or are restricted in input data formats. In this paper we present patRoon, a new R based open-source software platform, which provides comprehensive, fully tailored and straightforward non-target analysis workflows. This platform makes the use, evaluation and mixing of well-tested algorithms seamless by harmonizing various common (primarily open) software tools under a consistent interface. In addition, patRoon offers various functionality and strategies to simplify and perform automated processing of complex (environmental) data effectively. patRoon implements several effective optimization strategies to significantly reduce computational times. The ability of patRoon to perform time-efficient and automated non-target data annotation of environmental samples is demonstrated with a simple and reproducible workflow using open-access data of spiked samples from a drinking water treatment plant study. In addition, the ability to easily use, combine and evaluate different algorithms was demonstrated for three commonly used feature finding algorithms. This article, combined with already published works, demonstrate that patRoon helps make comprehensive (environmental) non-target analysis readily accessible to a wider community of researchers.

19.
Open Res Eur ; 1: 154, 2021.
Article in English | MEDLINE | ID: mdl-37645192

ABSTRACT

By 2050, the global population is predicted to reach nine billion, with almost three quarters living in cities. The road to 2050 will be marked by changes in land use, climate, and the management of water and food across the world. These global changes (GCs) will likely affect the emissions, transport, and fate of chemicals, and thus the exposure of the natural environment to chemicals. ECORISK2050 is a Marie Sklodowska-Curie Innovative Training Network that brings together an interdisciplinary consortium of academic, industry and governmental partners to deliver a new generation of scientists, with the skills required to study and manage the effects of GCs on chemical risks to the aquatic environment. The research and training goals are to: (1) assess how inputs and behaviour of chemicals from agriculture and urban environments are affected by different environmental conditions, and how different GC scenarios will drive changes in chemical risks to human and ecosystem health; (2) identify short-to-medium term adaptation and mitigation strategies, to abate unacceptable increases to risks, and (3) develop tools for use by industry and policymakers for the assessment and management of the impacts of GC-related drivers on chemical risks. This project will deliver the next generation of scientists, consultants, and industry and governmental decision-makers who have the knowledge and skillsets required to address the changing pressures associated with chemicals emitted by agricultural and urban activities, on aquatic systems on the path to 2050 and beyond.

20.
J Environ Manage ; 280: 111692, 2021 Feb 15.
Article in English | MEDLINE | ID: mdl-33293165

ABSTRACT

With the Green Deal the EU aims to achieve a circular economy, restore biodiversity and reduce environmental pollution. As a part of the Green Deal a 'one-substance one-assessment' (OS-OA) approach for chemicals has been proposed. The registration and risk assessment of chemicals on the European market is currently fragmented across different legal frameworks, dependent on the chemical's use. In this review, we analysed the five main European chemical registration frameworks and their risk assessment procedures for the freshwater environment, covering 1) medicines for human use, 2) veterinary medicines, 3) pesticides, 4) biocides and 5) industrial chemicals. Overall, the function of the current frameworks is similar, but important differences exist between the frameworks' environmental protection goals and risk assessment strategies. These differences result in inconsistent assessment outcomes for similar chemicals. Chemicals are also registered under multiple frameworks due to their multiple uses, and chemicals which are not approved under one framework are in some instances allowed on the market under other frameworks. In contrast, an OS-OA will require a uniform hazard assessment between all different frameworks. In addition, we show that across frameworks the industrial chemicals are the least hazardous for the freshwater environment (median PNEC of 2.60E-2 mg/L), whilst biocides are the most toxic following current regulatory assessment schemes (median PNEC of 1.82E-4 mg/L). Finally, in order to facilitate a successful move towards a OS-OA approach we recommend a) harmonisation of environmental protection goals and risk assessment strategies, b) that emission, use and production data should be made publicly available and that data sharing becomes a priority, and c) an alignment of the criteria used to classify problematic substances.


Subject(s)
Environmental Pollution , Pesticides , Biodiversity , Conservation of Natural Resources , Humans , Pesticides/analysis , Risk Assessment
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