Ai-aided chronic mixture risk assessment along a small European river reveals multiple sites at risk and pharmaceuticals being the main risk drivers

Environment International, Journal Year: 2025, Volume and Issue: 197, P. 109370 - 109370

Published: March 1, 2025

The vast amount of registered chemicals leads to a high diversity substances occurring in the environment and creation new outpaces chemical risk assessment as well monitoring strategies. Hence, strategies need be modified ensuring that they remain aligned with rapid development marketing substances. Here we performed longitudinal chronic mixture considering real-world case study scenario diverse anthropogenic impact types characterised by different land uses along river Central Germany. We sampled water using large-volume solid phase extraction at six selected sampling sites. Following analysis liquid chromatography-high resolution mass spectrometry, quantified 192 For 34 % them, obtained empirical effect data for freshwater organisms. Furthermore, used open-source artificial intelligence (AI) model TRIDENT predict toxicity all A multi-scenario was conducted three taxonomic groups, concentration-addition concept various hazard exposure scenarios. results showed estimates groups were considerably higher when amended from silico modelling. identified hotspots pollution our indicated fish most vulnerable group, pharmaceuticals being relevant drivers. Our exemplifies application an AI aquatic organisms combination consideration multiple scenarios may complement future

Language: Английский

---

Monitoring Mixture Effects of Neurotoxicants in Surface Water and Wastewater Treatment Plant Effluents with Neurite Outgrowth Inhibition in SH-SY5Y Cells

ACS Environmental Au, Journal Year: 2022, Volume and Issue: 2(6), P. 523 - 535

Published: Aug. 17, 2022

Cell-based assays covering environmentally relevant modes of action are widely used for water quality monitoring. However, no high-throughput available testing developmental neurotoxicity samples. We implemented an assay that quantifies neurite outgrowth, which is one the neurodevelopmental key events, and cell viability in human neuroblastoma SH-SY5Y cells using imaging techniques. this extracts surface collected agricultural areas during rain events effluents from wastewater treatment plants (WWTPs), where more than 200 chemicals had been quantified. Forty-one were tested individually suspected to contribute mixture effects among detected environmental Sample sensitivity distributions indicated higher samples effluents, endpoint outgrowth inhibition was six times sensitive cytotoxicity only three effluent Eight pollutants showed high specificity, those ranged pharmaceuticals (mebendazole verapamil) pesticides (methiocarb clomazone), biocides (1,2-benzisothiazolin-3-one), industrial (N-methyl-2-pyrrolidone, 7-diethylamino-4-methylcoumarin, 2-(4-morpholinyl)benzothiazole). Although neurotoxic newly some our test chemicals, less 1% measured explained by toxicologically characterized chemicals. The benchmarked against other bioassays: activations aryl hydrocarbon receptor peroxisome proliferator-activated similar sensitivity, highly did not differ much between two types, with having slightly WWTP effluent. Oxidative stress response mirrored quite well but caused different types. Overall, new cell-based a valuable complement existing battery effect-based monitoring tools.

Language: Английский

---

Dataset comprising pesticides, pharmaceuticals and personal care products, and industrial chemicals detected in streams and rivers of Central Chile

Data in Brief, Journal Year: 2023, Volume and Issue: 50, P. 109600 - 109600

Published: Sept. 20, 2023

Chemical pollution caused by synthetic organic chemicals at low concentrations in the environment poses a growing threat to ecological status of aquatic ecosystems. These are regularly released into surface waters through both treated and untreated effluents from wastewater treatment plants (WWTPs), agricultural runoff, industrial discharges. Consequently, they accumulate waters, distribute amongst environmental compartments according their physicochemical properties, cause adverse effects on organisms. Unfortunately, there is lack data regarding occurrence chemicals, henceforth micropollutants, South American freshwater ecosystems, especially Chile. To address this research gap, we present comprehensive dataset comprising 153 emerging including pesticides, pharmaceutical personal care products (PPCPs), surfactants, chemicals. were found co-occur within Central Chile, specifically River Aconcagua Basin. Our sampling strategy involved collecting water samples streams rivers with diverse land uses, such as agriculture, urban areas, natural reserves. For sample extraction, employed an on-site large-volume solid phase extraction (LVSPE) device. The resulting extracts then subjected wide-scope chemical target screening using gas chromatography liquid high-resolution mass spectrometry (GC- LC-HRMS). holds significant value assessing bodies. It enables comparative analysis fingerprints associated across different systems. Moreover, can be reused for risk assessment studies. Its utilisation will contribute better understanding impact extent facilitating development effective mitigation strategies.

Language: Английский

---

Target Screening of Chemicals of Emerging Concern (CECs) in Surface Waters of the Swedish West Coast

Data, Journal Year: 2023, Volume and Issue: 8(6), P. 93 - 93

Published: May 25, 2023

The aquatic environment faces increasing threats from a variety of unregulated organic chemicals originating human activities, collectively known as emerging concern (CECs). These include pharmaceuticals, personal-care products, pesticides, surfactants, industrial chemicals, and their transformation products. CECs enter environments through various sources, including effluents wastewater treatment plants, facilities, runoff agricultural residential areas, well accidental spills. Data on the occurrence in marine are scarce, more information is needed to assess chemical ecological status water bodies, prioritize toxic for further studies or risk assessment. In this study, we describe monitoring campaign targeting surface waters at Swedish west coast using, first time, an on-site large volume solid phase extraction (LVSPE) device. We detected up 80 227 sites plant (WWTP) effluent, respectively. dataset will contribute defining pollution fingerprints assessing freshwater systems affected by hubs, discharge urban wastewater.

Language: Английский

---

Dataset of emerging contaminants in surface water, bottom water, porewater, and sediment: Urban and aquaculture impacts in the central and southern coast of Chile

bioRxiv (Cold Spring Harbor Laboratory), Journal Year: 2024, Volume and Issue: unknown

Published: May 3, 2024

Abstract Synthetic organic chemicals, including pesticides, pharmaceuticals, and industrial compounds, pose a growing threat to marine ecosystems as they enter through variety of pathways, direct discharges wastewater (untreated or treated) from industrial, agricultural, urban sources. Additionally, runoff residential agricultural land, well inland waterways, transport these chemicals coastal zones. Despite their potential impact, data on the co-occurrence contaminants in environment remains limited. Such information is critical for assessing chemical status, establishing environmental quality benchmarks, conducting comprehensive risk assessments. In this study, we describe multifaceted monitoring campaign targeting along central-south coast northern Patagonia, Chile. Surface water, bottom porewater, adjacent sediment samples were collected analysis. Our results show detection up 83 surface 71 101 244 sediments. To enhance utility, provide valuable mode action molecular targets identified chemicals. This dataset contributes defining pollution fingerprints areas Global South, remote regions Patagonia. It serves resource future research, policymaking, advancement protection regions.

Language: Английский

---

Preliminary dataset of emerging contaminants in surface water, bottom water, porewater, and sediment: Urban and aquaculture impacts in Coliumo bay and Caucahue Channel in the central and southern coast of Chile

Data in Brief, Journal Year: 2024, Volume and Issue: 55, P. 110593 - 110593

Published: June 5, 2024

Synthetic organic chemicals, including pesticides, pharmaceuticals, and industrial compounds, pose a growing threat to marine ecosystems. Despite their potential impact, data on the co-occurrence of these contaminants in multiple compartments, surface water, bottom porewater, sediment environment remains limited. Such information is critical for assessing coastal chemical status, establishing environmental quality benchmarks, conducting comprehensive risk assessments. In this study, we describe multifaceted monitoring campaign targeting surfactants, additives, plasticizers among other synthetic chemicals four sampling sites. One site was located small Coliumo bay affected by urban settlements tourism central-south additionally, sampled three sites, Caucahue Channel, salmon farming northern Patagonia Chile. Surface adjacent samples were collected target screening analysis LC- GC-HRMS platforms. Our results show detection up 83 71 101 244 sediments. To enhance utility reuse potential, provide valuable mode action molecular targets identified chemicals. This dataset contributes defining pollution fingerprints areas Global South, remote regions Patagonia. It serves as resource future research assessment, policymaking, advancement protection regions.

Language: Английский

---

AI-aided chronic mixture risk assessment along a small European river reveals multiple sites at risk and pharmaceuticals being the main risk drivers

bioRxiv (Cold Spring Harbor Laboratory), Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 18, 2024

Abstract The vast amount of registered chemicals leads to a high diversity substances occurring in the environment and creation new outpaces chemical risk assessment as well monitoring strategies. Hence, strategies need be modified ensuring that they remain aligned with rapid development marketing substances. Here we performed longitudinal chronic mixture considering real-world case study scenario diverse anthropogenic impact types characterised by different land uses along river Central Germany. We sampled water using large-volume solid phase extraction at six selected sampling sites. Following analysis liquid chromatography-high resolution mass spectrometry, quantified 192 For 34% them, obtained empirical effect data for freshwater organisms. Furthermore, used open-source artificial intelligence (AI) model TRIDENT predict toxicity all A multi-scenario was conducted three taxonomic groups, concentration-addition concept various hazard exposure scenarios. results showed estimates groups were considerably higher when amended from silico modelling. identified hot spots pollution our indicated fish most vulnerable group, pharmaceuticals being relevant drivers. Our exemplifies application an AI aquatic organisms combination consideration multiple scenarios, may complement future Highlights organic surface samples river. Multiple scenarios considered assessment. Artificial fill gaps ecotoxicity. Fish group toxicity. Pharmaceuticals prevalent Graphical abstract

Language: Английский

---

Occurrence, Bioaccumulation, and Human Exposure Risk of the Antiandrogenic Fluorescent Dye 7-(Dimethylamino)-4-methylcoumarin and 7-(Diethylamino)-4-methylcoumarin in the Dongjiang River Basin, South China

Toxics, Journal Year: 2024, Volume and Issue: 12(12), P. 925 - 925

Published: Dec. 20, 2024

Recently, 7-diethylamino-4-methylcoumarin (DEAMC) has been identified as a potent antiandrogenic compound in the surface water; however, little is known about potentials of other synthetic coumarins and their occurrence aquatic ecosystem. In this study, for first time, we observed that 7-dimethylamino-4-methylcoumarin (DAMC) elicited androgen receptor (AR) antagonistic activity with 50% inhibitory concentration (IC50) 1.46 µM, which 14.3 times more than DEAMC (IC50 = 20.92 µM). We further collected abiotic (water sediment) biotic (plant, plankton, fish) samples (n 208) from subtropical freshwater ecosystem, Dongjiang River basin, southern China, determined concentrations two these samples. Overall, DAMC was predominant found sediment, plant, algae, zooplankton, fish muscle samples, median at 0.189, 0.421, 0.832, 0.798, 0.335 ng/g dry wt. (DW), respectively, although it not detected any water sample. For DEAMC, water, were 0.105 ng/L, 0.012, 0.051, 0.009, 0.008, 0.181 DW, respectively. The bioaccumulation factor (BAF) values exceeded 5000 L/kg, suggesting may have significant biota. Additionally, mean daily intake (EDI) through consumption estimated 0.19 ng/kg BW/day male toddlers. This field study to illustrate potential document widespread ecosystems.

Language: Английский

---

Spatial and temporal variations in anti-androgenic activity and environmental risk in a small river

The Science of The Total Environment, Journal Year: 2022, Volume and Issue: 853, P. 158622 - 158622

Published: Sept. 6, 2022

Language: Английский

---