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1.
Sci Total Environ ; 932: 172872, 2024 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-38692322

RESUMO

The misuse of antitussives preparations is a continuing problem in the world, and imply that they might have potential new psychoactive substances (NPS) activity. However, few study focus on their ecological toxicity towards fish. In the present study, the machine learning (ML) methods gcForest and random forest (RF) were employed to predict NPS activity in 30 antitussives. The potential toxic target, mode of action (MOA), acute toxicity and chronic toxicity to fish were further investigated. The results showed that both gcForest and RF achieved optimal performance when utilizing combined features of molecular fingerprint (MF) and molecular descriptor (MD), with area under the curve (AUC) = 0.99, accuracy >0.94 and f1 score > 0.94, and were applied to screen the NPS activity in antitussives. A total of 15 antitussives exhibited potential NPS activity, including frequently-used substances like codeine and dextromethorphan. The binding affinity of these antitussives with zebrafish dopamine transporter (zDAT) was high, and even surpassing that of some traditional narcotics and NPS. Some antitussives formed hydrogen bonds or salt bridges with aspartate (Asp) 95, tyrosine (Tyr) 171 of zDAT. For the ecotoxicity, the MOA of these 15 antitussives in fish was predicted as narcosis. The prenoxdiazin, pholcodine, codeine, dextromethorphan and dextrorphan exhibited very toxic/toxic to fish. It was necessary to pay close attention to the ecotoxicity of these antitussives. In this study, the integration of ML, molecular docking and ECOSAR approaches are powerful tools for understanding the toxicity profiles and ecological hazards posed by new pollutants.


Assuntos
Psicotrópicos , Poluentes Químicos da Água , Animais , Poluentes Químicos da Água/toxicidade , Psicotrópicos/toxicidade , Peixe-Zebra , Peixes , Aprendizado de Máquina
2.
Environ Pollut ; 356: 124218, 2024 May 28.
Artigo em Inglês | MEDLINE | ID: mdl-38815887

RESUMO

Chemical additives are important components in commercial microplastics and their leaching behaviour has been widely studied. However, little is known about the potential effect of additives on the adsorption/desorption behaviour of pollutants on microplastics and their subsequent role as vectors for pollutant transport in the environment. In this study, two types of commercial polyvinyl chloride (PVC1 and PVC2) microplastics were aged by UV irradiation and biotic modification via biofilm colonization to investigate the adsorption and desorption behaviour of bisphenol A (BPA). Surface cracks and new functional groups (e.g., O-H) were found on PVC1 after UV irradiation, which increased available adsorption sites and enhanced H‒bonding interaction, resulting in an adsorption capacity increase from 1.28 µg/L to 1.85 µg/L. However, the adsorption and desorption capacity not showed significant changes for PVC2, which might be related to the few characteristic changes after UV aging with the protection of light stabilizers and antioxidants. The adsorption capacity ranged from 1.28 µg/L to 2.06 µg/L for PVC1 and PVC2 microplastics, and increased to 1.62 µg/L-2.95 µg/L after colonization by biofilms. The increased adsorption ability might be related to the N-H functional group, amide groups generated by microorganisms enhancing the affinity for BPA. The opposite effect was observed for desorption. Plasticizers can be metabolized during biofilm formation processes and might play an important role in microorganism colonization. In addition, antioxidants and UV stabilizers might also indirectly influence the colonization of microorganisms' on microplastics by controlling the degree to which PVC microplastics age under UV. The amount of biomass loading on the microplastics would further alter the adsorption/desorption behaviour of contaminants. This study provides important new insights into the evaluation of the fate of plastic particles in natural environments.

3.
Environ Int ; 185: 108540, 2024 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-38428191

RESUMO

The contamination characteristics, migration patterns and health risks of per- and polyfluoroalkyl substances (PFAS) were investigated in 66 Chinese paper products by using target and non-target screening methods. Among 57 target PFASs, 5 and 6 PFASs were found in the hygiene paper products (

Assuntos
Ácidos Alcanossulfônicos , Fluorocarbonos , Humanos , Fluorocarbonos/análise , Etanol , Alimentos , Inocuidade dos Alimentos , China , Ácidos Alcanossulfônicos/análise
4.
Sci Total Environ ; 921: 171143, 2024 Apr 15.
Artigo em Inglês | MEDLINE | ID: mdl-38387592

RESUMO

Effectively identifying persistent organic pollutants (POPs) with extensive organic chemical datasets poses a formidable challenge but is of utmost importance. Leveraging machine learning techniques can enhance this process, but previous models often demanded advanced programming skills and high-end computing resources. In this study, we harnessed the simplicity of PyCaret, a Python-based package, to construct machine-learning models for POP screening based on 2D molecular descriptors. We compared the performance of these models against a deep convolutional neural network (DCNN) model. Utilising minimal Python code, we generated several models that exhibited superior or comparable performance to the DCNN. The most outstanding performer, the Light Gradient Boosting Machine (LGBM), achieved an accuracy of 96.20 %, an AUC of 97.70 %, and an F1 score of 82.58 %. This model outshone the DCNN model. Furthermore, it excelled in identifying POPs within the REACH PBT and compiled industrial chemical lists. Our findings highlight the accessibility and simplicity of PyCaret, requiring only a few lines of code, rendering it suitable for non-computing professionals in environmental sciences. The ability of low code machine learning tools (e.g. PyCaret) to facilitate model comparison and interpretation holds promise, encouraging prompt assessment and management of chemical substances.

5.
J Hazard Mater ; 468: 133844, 2024 Apr 15.
Artigo em Inglês | MEDLINE | ID: mdl-38394900

RESUMO

Androgen receptor (AR) agonists have strong endocrine disrupting effects in fish. Most studies mainly investigate AR binding capacity using human AR in vitro. However, there is still few methods to rapidly predict AR agonists in aquatic organisms. This study aimed to screen AR agonists of fish species using machine learning and molecular models in water-relevant list from NORMAN, a network of reference laboratories for monitoring contaminants of emerging concern in the environment. In this study, machine learning approaches (e.g., Deep Forest (DF)), Random Forests and artificial neural networks) were applied to predict AR agonists. Zebrafish, fathead minnow, mosquitofish, medaka fish and grass carp are all important aquatic model organisms widely used to evaluate the toxicity of new pollutants, and the molecular models of ARs from these five fish species were constructed to further screen AR agonists using AlphaFold2. The DF method showed the best performances with 0.99 accuracy, 0.97 sensitivity and 1 precision. The Asn705, Gln711, Arg752, and Thr877 residues in human AR and the corresponding sites in ARs from the five fish species were responsible for agonist binding. Overall, 245 substances were predicted as suspect AR agonists in the five fish species, including, certain glucocorticoids, cholesterol metabolites, and cardiovascular drugs in the NORMAN list. Using machine learning and molecular modeling hybrid methods rapidly and accurately screened AR agonists in fish species, and helping evaluate their ecological risk in fish populations.


Assuntos
Androgênios , Disruptores Endócrinos , Peixes , Receptores Androgênicos , Animais , Humanos , Androgênios/química , Androgênios/toxicidade , Cyprinidae , Aprendizado de Máquina , Modelos Moleculares , Peixe-Zebra , Disruptores Endócrinos/química , Disruptores Endócrinos/toxicidade
6.
Environ Sci Pollut Res Int ; 31(11): 17417-17425, 2024 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-38337116

RESUMO

Wastewater treatment plants (WWTPs) are one of the most important sources and sinks for per- and polyfluoroalkyl substances (PFAS). However, limited studies have evaluated short-term temporal variability of PFAS in WWTPs, particularly for their intra-day variations. For this purpose, a time-composite sampling campaign was carried out at a WWTP influent from South China for 1 week. Five out of ten PFAS were found in the influent, i.e., perfluoroheptanoic acid (PFHpA), perfluorooctanoic acid (PFOA), perfluorononanoic acid (PFNA), perfluorobutane sulfonic acid (PFBS), and perfluorooctanesulfonic acid (PFOS). PFOA was the most domain PFAS whereas PFOS was detected occasionally, which might be associated with the prohibition of PFOS use in China. For the first time, we observed significant intra-day fluctuations in mass fluxes for PFOS. Different from a morning peak of pharmaceuticals reported previously, PFOS mass loads fluctuated sharply at noon and night on the weekdays. Furthermore, the mass fluxes of PFOA on the weekend were significantly elevated. For the other PFAS detected, no significant diurnal variations in mass loads were identified. Correlation analysis indicated that domestic activities (e.g., home cleaning) are likely to be the major source of these perfluorocarboxylic acids especially PFOA. In addition, flow fluxes had little effects on these PFAS mass load. These results can aid in future sampling campaigns and optimizing removal strategies for PFAS in wastewater.


Assuntos
Ácidos Alcanossulfônicos , Caprilatos , Fluorocarbonos , Purificação da Água , Águas Residuárias , Fluorocarbonos/análise , China
7.
Bull Environ Contam Toxicol ; 112(1): 9, 2023 Dec 11.
Artigo em Inglês | MEDLINE | ID: mdl-38081971

RESUMO

In this study, the effects of manure on the availability of sulfonamide antibiotics (SAs) in soils were explored in situ by the Diffusive gradients in thin films (DGT) technique. Five antibiotics, including sulfadiazine (SDZ), sulfamethoxazole (SMX), sulfamethazine (SMZ), sulfachloropyridazine (SCP), and sulfadimethoxine (SDM), were selected as target compounds. Results showed that the manure application to soil could reduce the antibiotic availability indicated by DGT. DGT measurement (CDGT) showed good correlations with the soil solution concentrations (Cd). Manure application can suppress the fluxes of SAs from the soil to the soil solution. Using the DGT-induced soil/sediment flux model (DIFS), the labile pool size (Kdl), the rate constants (k1, k-1) of adsorption and desorption and response time (Tc) of SAs in soils were obtained. The addition of manure increased extractable fraction, labile pool size (Kdl) and k1 but decreased k-1. Together with the nonlinear relationship between DGT fluxes and the reciprocal of diffusive layer thickness (Δg), these findings suggested that the release of SAs from soil particles into the soil solution is thermodynamically and kinetically limited, and the manure application could enhance this limitation. This study offers insight into antibiotic availability in soils caused by manure application.


Assuntos
Antibacterianos , Poluentes do Solo , Solo , Esterco , Sulfanilamida , Sulfonamidas , Poluentes do Solo/análise
8.
Environ Sci Technol ; 57(20): 7809-7817, 2023 05 23.
Artigo em Inglês | MEDLINE | ID: mdl-37155686

RESUMO

The physicochemical exchange dynamics between the solid and solution phases of per- and polyfluoroalkyl substances (PFAS) in soils needs to be better understood. This study employed an in situ tool, diffusive gradients in thin films (DGT), to understand the distribution and exchange kinetics of five typical PFAS in four soils. Results show a nonlinear relationship between the PFAS masses in DGT and time, implying that PFAS were partially supplied by the solid phase in all of the soils. A dynamic model DGT-induced fluxes in soils/sediments (DIFS) was used to interpret the results and derive the distribution coefficients for the labile fraction (Kdl), response time (tc), and adsorption/desorption rates (k1 and k-1). The larger labile pool size (indicated by Kdl) for the longer chain PFAS implies their higher potential availability. The shorter chain PFAS tend to have a larger tc and relatively smaller k-1, implying that the release of these PFAS in soils might be kinetically limited but not for more hydrophobic compounds, such as perfluorooctanesulfonic acid (PFOS), although soil properties might play an important role. Kdl ultimately controls the PFAS availability in soils, while the PFAS release from soils might be kinetically constrained (which may also hold for biota uptake), particularly for more hydrophilic PFAS.


Assuntos
Poluentes do Solo , Solo , Solo/química , Difusão , Cinética , Transporte Biológico , Monitoramento Ambiental/métodos
9.
Sci Total Environ ; 882: 163601, 2023 Jul 15.
Artigo em Inglês | MEDLINE | ID: mdl-37087021

RESUMO

Organic chemicals associated with microplastics (MPs) can be released and thus pose potential risks during weathering processes. However, the thermodynamics and kinetics of their release processes still need to be better understood. Herein, the adsorption and desorption kinetics of triclosan on polystyrene (PS) and polyvinyl chloride (PVC) were investigated by using both batch experiments and diffusive gradients in thin-films (DGT) technique. The pseudo-second-order model fitted the data best, implying that both intraparticle diffusion and external liquid film diffusion influence the adsorption and desorption processes. DGT continuously accumulated triclosan from MP suspensions but slower than theoretical values, indicating some restrictions to desorption. The DGT-induced fluxes in Soils/Sediment (DIFS) model, employed to interpret DGT data, gave distribution coefficients for labile species (Kdl) of 5000 mL g-1 (PS) and 1000 mL g-1 (PVC) and the corresponding response times (Tc) were 10 s and 1000 s, respectively. Higher Kdl but smaller Tc for PS than PVC showed that more triclosan adsorbed on PS could be rapidly released, while there were some kinetic limitations for triclosan on PVC. A novel finding was that pH and ionic strength individually and interactively affected the supply of triclosan to DGT. This is the first study to quantify interactions of organics with MPs by using DGT, aiding our understanding of MPs' adsorption/desorption behavior in the aquatic environment.

10.
Sci Total Environ ; 881: 163464, 2023 Jul 10.
Artigo em Inglês | MEDLINE | ID: mdl-37062316

RESUMO

Phytoremediation is considered an effective technology for remediating antibiotic-contaminated water; however, its underlying mechanisms remain poorly understood. Therefore, this study investigated the phytoremediation potential of fluoroquinolone antibiotics (FQs) by different wetland plant species. The phytoremediation rates of ΣFQs were 46-69 %, and rhizosphere microorganism degradation (accounting for 90-93 %) dominated the FQ removal over that of plant uptake and hydrolysis. Dissipation of the FQs in the hydroponic system followed a first-order kinetic model. The joint action of the more powerful absorptive capacity of plants and stronger microbial degradation ability in the rhizosphere was the reason that Cyperus papyrus showed significantly higher FQ phytoremediation rates than the other three plant species, which implied that the plant species is a critical factor affecting phytoremediation efficiency. The FQ distribution in plant tissues decreased from root > stem > leaf, suggesting that FQs were more concentrated in the roots than in the aboveground tissues. Negative correlations between the diffusive gradient in thin films and root concentrations implied that these wetland plant species took up FQs mainly via active transport mechanism (requiring some vectors, perhaps via exudates); whereas, the process of root-to-stem transfer and upward transport represented passive transport, which mainly depended on transpiration. These results facilitate an improved understanding of phytoremediation processes and improve their future applications.


Assuntos
Poluentes do Solo , Áreas Alagadas , Biodegradação Ambiental , Disponibilidade Biológica , Plantas/metabolismo , Antibacterianos/metabolismo , Fluoroquinolonas/metabolismo , Poluentes do Solo/análise
11.
J Hazard Mater ; 448: 130935, 2023 04 15.
Artigo em Inglês | MEDLINE | ID: mdl-36860072

RESUMO

The diffusive gradients in thin films (DGT) technique is an excellent method for investigating the dynamic processes of antibiotics in soils. However, whether it is applicable in antibiotic bioavailability assessment is yet to be disclosed. This study employed DGT to determine the antibiotic bioavailability in soil, and compared the results with plant uptake, soil solutions, and solvent extraction methods. DGT exhibited predictive capability for plant taking in antibiotics proved by the significant linear relationship between the DGT based concentration (CDGT) and antibiotic concentration in roots and shoots. Although the performance of soil solution was acceptable based on linear relationship analysis, its stability was weaker than DGT. The results based on plant uptake and DGT indicated the bioavailable antibiotic contents in different soils were inconsistent because of the distinct mobility and resupply of sulphonamides and trimethoprim in different soils, as represented by Kd and Rds, which were affected by soil properties. Plant species played an important role in antibiotic uptake and translocation. Antibiotic uptake by plants depends on antibiotic, plant and soil. These results confirmed the capability of DGT in determining antibiotic bioavailability for the first time. This work provided a simple and powerful tool for environmental risk evaluation of antibiotics in soils.


Assuntos
Antibacterianos , Solo , Disponibilidade Biológica , Difusão , Transporte Biológico
12.
J Hazard Mater ; 449: 131048, 2023 05 05.
Artigo em Inglês | MEDLINE | ID: mdl-36821905

RESUMO

Recent industrial relocation in China causes lots of environment concerns including risks of emerging contaminants (ECs). Herein, the occurrence, fate, removal and ecological risks of 34 per- and polyfluoroalkyl substances (PFAS), 17 endocrine disrupting chemicals (EDCs), 16 phthalate esters (PAEs), and 23 polycyclic aromatic hydrocarbons (PAHs) were investigated in two textile WWTPs (conventional and Fenton-modified) from a large textile industrial park in Southwest China. Totally 50 ECs were identified and the levels followed the order of PAEs > EDCs > PFAS ≈ PAHs. The EDCs predominated in textile washing and rinsing wastewater whereas the PAEs did in desizing wastewater. Biphasic correlations of log Kd and log P, molecular weight, and numbers of rings (r2 = 0.63-0.66, p < 0.01) were observed for PAHs, suggesting that hydrophobicity might not facilitate adsorption of super-hydrophobic PAHs onto activated sludge. 63-69% of detected ECs were effectively removed by two textile WWTPs with removal efficiencies ≥ 80%, which were much higher than previous reports. Fenton processing enhanced the removal efficiencies for long-chain PFAS rather than short-chain PFAS. The PAEs and EDCs posed a medium-to-high risk to aquatic organisms and were screened as the priority ECs. To date, such a comprehensive investigation for ECs has not been previously conducted in textile WWTPs and this study provides basic information about regional chemical emission inventory of ECs.


Assuntos
Disruptores Endócrinos , Fluorocarbonos , Hidrocarbonetos Policíclicos Aromáticos , Poluentes Químicos da Água , Purificação da Água , Águas Residuárias , Eliminação de Resíduos Líquidos , China , Poluentes Químicos da Água/química , Esgotos/química , Têxteis , Hidrocarbonetos Policíclicos Aromáticos/análise , Monitoramento Ambiental
13.
Chemosphere ; 310: 136867, 2023 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-36244418

RESUMO

Plastics gradually degrade in the natural environment from the effect of irradiation, which can change the surface properties of plastics and affect the migration behaviour of pollutants. Up to now, studies on the sorption/desorption behaviour of organic pollutants on aged plastics are still limited. In this study, several types of commercial plastics (polyurethane (PU), polyamide (PA), polyvinyl chloride (PVC), expanded polystyrene (EPS)) were selected to investigate the sorption and release behaviour for four kinds of bisphenols (bisphenol-F, A, B, AP). The results from Raman spectroscopy and scanning electron microscopy (SEM) analysis showed evidence of oxidization and surface cracks of plastics after irradiation. The sorption behaviour for both fresh and aged plastics were dominated by hydrophobicity. In addition, the electrostatic force, H-bonding interaction, and π-π interaction were also the important factors impacting the sorption process. The desorption kinetics behaviour indicates that desorption becomes faster after aging. Hydrophobicity is also an important factor that affects desorption behaviour. This study showed that sorption capacity for most fresh and aged plastics was enhanced by the impact of salinity and dissolved organic matter (DOM). Increased temperature could increase the desorption of bisphenols on both fresh and aged plastics, which illustrated that warm environments would promote more pollutants be released from plastics to water bodies.


Assuntos
Poluentes Ambientais , Poluentes Químicos da Água , Plásticos/química , Adsorção , Poluentes Químicos da Água/análise
14.
Bull Environ Contam Toxicol ; 110(1): 6, 2022 Dec 12.
Artigo em Inglês | MEDLINE | ID: mdl-36508015

RESUMO

In response to global climate change, China recently committed to achieving peak carbon emissions by 2030 and carbon neutrality by 2060. Carbon emission reduction should be considered in every sector of society including environmental monitoring. As an energy-saving technique in environmental monitoring, passive sampling has many advantages, such as in-situ sampling and a reduction in time/labour requirements. This perspective illustrates the "greenness" of passive sampling techniques, by comparison with traditional sampling methods, and its potential contribution to the 'dual carbon' goal. At the same time passive sampling can provide key support for the action plan for controlling emerging pollutants in China.


Assuntos
Poluentes Atmosféricos , Poluentes Ambientais , Poluentes Químicos da Água , Carbono , Monitoramento Ambiental/métodos , Poluentes Atmosféricos/análise , Poluentes Químicos da Água/análise , Dióxido de Carbono/análise , China
15.
Environ Pollut ; 314: 120290, 2022 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-36180004

RESUMO

Bisphenol A (BPA), 4-nonylphenol (4-NP), and triclosan (TCS) are phenolic endocrine disrupting chemicals (EDCs), which are widely detected in aquatic environments and further bioaccumulated and metabolized in fish. Physiologically based toxicokinetic (PBTK) models have been used to describe the absorption, distribution, metabolism, and excretion (ADME) of parent compounds in fish, whereas the metabolites are less explored. In this study, a PBTK incorporating metabolism (PBTK-MT) model for BPA, 4-NP, and TCS was established to enhance the performance of the traditional PBTK model. The PBTK-MT model comprised 16 compartments, showing great accuracy in predicting the internal concentrations of three compounds and their glucuronidated and sulfated conjugates in fish. The impact of typical hepatic metabolism on the PBTK-MT model was successfully resolved by optimizing the mechanism for deriving the partition coefficients between the blood and liver. The PBTK-MT model exhibited a potential data gap-filling capacity for unknown parameters through a backward extrapolation approach of parameters. Model sensitivity analysis suggested that only five parameters were sensitive in at least two PBTK-MT models, while most parameters were insensitive. The PBTK-MT model will contribute to a well understanding of the environmental behavior and risks of pollutants in aquatic biota.


Assuntos
Disruptores Endócrinos , Poluentes Ambientais , Triclosan , Poluentes Químicos da Água , Animais , Disruptores Endócrinos/toxicidade , Disruptores Endócrinos/análise , Toxicocinética , Triclosan/toxicidade , Triclosan/análise , Peixes/metabolismo , Poluentes Ambientais/análise , Modelos Biológicos , Poluentes Químicos da Água/análise
16.
J Environ Sci (China) ; 121: 90-97, 2022 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-35654519

RESUMO

The passive sampling technique, diffusive gradients in thin films (DGT) has attracted increasing interests as an in-situ sampler for organic contaminants including per- and polyfluoroalkyl substances (PFAS). However, its effectiveness has been questioned because of the small effective sampling area (3.1 cm2). In this study, we developed a DGT probe for rapid sampling of eight PFAS in waters and applied it to a water-sediment system. It has a much larger sampling area (27 cm2) and as a result lower method quantification limits (0.15 - 0.21 ng/L for one-day deployment and 0.02 - 0.03 ng/L for one-week deployment) and much higher (by > 10 factors) sampling rate (100 mL/day) compared to the standard DGT (piston configuration). The sampler could linearly accumulate PFAS from wastewater, was sensitive enough even for a 24 hr deployment with performance comparable to grab sampling (500 mL). The DGT probe provided homogeneous sampling performance along the large exposure area. The use of the probe to investigate distributions of dissolved PFAS around the sediment-water interface was demonstrated. This work, for the first time, demonstrated that the DGT probe is a promising monitoring tool for trace levels of PFAS and a research tool for studying their distribution, migration, and fate in aquatic environments including the sediment-water interface.


Assuntos
Fluorocarbonos , Poluentes Químicos da Água , Monitoramento Ambiental/métodos , Águas Residuárias/análise , Água , Poluentes Químicos da Água/análise
17.
Proc Natl Acad Sci U S A ; 119(8)2022 02 22.
Artigo em Inglês | MEDLINE | ID: mdl-35165193

RESUMO

Environmental exposure to active pharmaceutical ingredients (APIs) can have negative effects on the health of ecosystems and humans. While numerous studies have monitored APIs in rivers, these employ different analytical methods, measure different APIs, and have ignored many of the countries of the world. This makes it difficult to quantify the scale of the problem from a global perspective. Furthermore, comparison of the existing data, generated for different studies/regions/continents, is challenging due to the vast differences between the analytical methodologies employed. Here, we present a global-scale study of API pollution in 258 of the world's rivers, representing the environmental influence of 471.4 million people across 137 geographic regions. Samples were obtained from 1,052 locations in 104 countries (representing all continents and 36 countries not previously studied for API contamination) and analyzed for 61 APIs. Highest cumulative API concentrations were observed in sub-Saharan Africa, south Asia, and South America. The most contaminated sites were in low- to middle-income countries and were associated with areas with poor wastewater and waste management infrastructure and pharmaceutical manufacturing. The most frequently detected APIs were carbamazepine, metformin, and caffeine (a compound also arising from lifestyle use), which were detected at over half of the sites monitored. Concentrations of at least one API at 25.7% of the sampling sites were greater than concentrations considered safe for aquatic organisms, or which are of concern in terms of selection for antimicrobial resistance. Therefore, pharmaceutical pollution poses a global threat to environmental and human health, as well as to delivery of the United Nations Sustainable Development Goals.


Assuntos
Rios/química , Poluição Química da Água/análise , Poluição Química da Água/prevenção & controle , Ecossistema , Exposição Ambiental , Monitoramento Ambiental , Humanos , Preparações Farmacêuticas , Águas Residuárias/análise , Águas Residuárias/química , Água/análise , Água/química , Poluentes Químicos da Água/análise
18.
Water Res ; 206: 117752, 2021 Nov 01.
Artigo em Inglês | MEDLINE | ID: mdl-34695670

RESUMO

Melamine has received increasing public attention as a persistent, mobile and toxic (PMT) substance. To better assess environmental exposure and risks of melamine and related triazines (cyromazine, ammeline, and atrazine), a new passive sampling method based on the diffusive gradients in thin films (DGT) technique has been developed and validated in this study. The studied triazines were adsorbed quickly and strongly by the selected mixed cation exchange (MCX) binding gels. This MCX-DGT can linearly accumulate these chemicals over at least 5 days, with neither significant individual influence from pH (6-8), ionic strength (0.01-0.5 M) or dissolved organic matter (0-10 M), or interaction effects. Field applications in Southern China showed that DGT performed well in both sewage treatment plant (STP) and river samples. Melamine was found to be the dominant triazine with the concentrations at µg·L-1 in the STP and receiving river. Surprisingly, much higher concentration of melanine was found in the STP effluent than influent, and appeared to be some of the highest concentrations reported in STPs worldwide to date. Comparable melamine and atrazine concentraions in the STP effluent and receiving river suggested other sources to the river. The MCX-DGT sampler developed here was demonstrated to be reliable and robust for measuring the triazines in waters, and is promising as an in situ tool in understanding the occurrence, sources, and fate of the emerging PMT substances in aquatic environment.


Assuntos
Monitoramento Ambiental , Poluentes Químicos da Água , Difusão , Triazinas , Águas Residuárias/análise , Poluentes Químicos da Água/análise
19.
Sci Total Environ ; 790: 148194, 2021 Oct 10.
Artigo em Inglês | MEDLINE | ID: mdl-34380251

RESUMO

Fluoroquinolones (FQs) have raised significant concerns due to their ubiquitous occurrence and promoting of antimicrobial resistance (AMR). In this study, a molecularly imprinted polymer-diffusive gradient in thin-films (MIP-DGT) sampler is developed for selective measurement of FQs in waters by using a commercial available MIP material as the binding agent. The MIP-DGT shows selective adsorption of the FQs and linearly accumulates the FQs over the deployment time. MIP-DGT measurement is independent of pH (6-8) and ionic strength (IS) (0.01-0.5 M) but is affected by DOM at higher concentrations (~10 mg•L-1), which is due to the altered diffusion coefficients and reduced adsorption on the MIP binding gel. Significant interaction effects of DOM with pH or IS indicate that this is the predominant influence on the MIP-DGT performance, which results in a lower measurement by the MIP-DGT but this is curtailed to some extend with increasing IS or pH. The MIP-DGT measurements, however, correlate well with those by grab sampling in a wastewater treatment plant, suggesting it is reliable for measuring FQs in waters. For the first time, we demonstrate that key water chemistry parameters do have interaction effects on the DGT measurements, which should be considered for the data interpretation. The MIP-DGT is a promising tool to understand the interaction effects of the environmental parameters on the fate, behaviours and bioavailability/toxicity of organic contaminants and improve environmental risk assessments in the environment and modelling.


Assuntos
Monitoramento Ambiental , Poluentes Químicos da Água , Antibacterianos/análise , Difusão , Fluoroquinolonas , Polímeros Molecularmente Impressos , Poluentes Químicos da Água/análise
20.
J Hazard Mater ; 418: 126393, 2021 09 15.
Artigo em Inglês | MEDLINE | ID: mdl-34329009

RESUMO

Denatonium benzoate (DB), a commonly used bitter agent in numerous products, has recently been recognized as a waterborne contaminant due to concern about its potential persistence, mobility and toxicity (PMT). However, its occurrence, levels and fate in global aquatic environments are largely unknown. In this study, a new sampling method, based on diffusive gradients in thin films (DGT) with mixed-mode cation exchange (MCX) as the binding agent, was developed for measuring DB in waters. MCX shows a rapid adsorption and high capacity for DB. DB is linearly accumulated by MCX-DGT. pH (6-8), ionic strength (0.01-0.5 M), or DOM (0-10 M) do not show any significant effect on the MCX-DGT performance, confirming its reliability. The DGT measurements in a wastewater treatment plant (WWTP) are comparable to those by paralleled grab sampling. The field results suggest DB is persistent in WWTPs and could be a potential domestic wastewater indicator. Therefore, MCX-DGT is a promising technique for understanding the environmental occurrence, levels and fate of DB. This is a first report of using DGT for DB monitoring and of DB occurrence in Chinese environments. Further exploration of DGT as a reliable passive monitoring tool for a wide range of PMT substances in different applications is warranted.


Assuntos
Monitoramento Ambiental , Poluentes Químicos da Água , Difusão , Compostos de Amônio Quaternário , Reprodutibilidade dos Testes , Águas Residuárias/análise , Poluentes Químicos da Água/análise
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