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1.
Langmuir ; 40(28): 14281-14290, 2024 Jul 16.
Article in English | MEDLINE | ID: mdl-38967331

ABSTRACT

Marine antibiofouling using low-amplitude electric pulses (EP) is an energy-efficient and eco-friendly approach, but potential mechanisms for preventing biofouling remain unclear. In the present study, the 3D adhesion dynamics of a model microorganism─Pseudomonas aeruginosa (PAO1)─under low-amplitude cathodic EP were examined as a function of applying voltage and its duration (td). The results demonstrated that adhered bacteria escaped from the electrode surface even when EP was removed. The escaped bacteria ratio, induction period of escape, and duration of the detachment were influenced profoundly by EP amplitude but slightly by td when td ≥ 5 min. The acceleration of escaped PAO1 from the surface indicated that their flagellar motor was powered by EP. Particularly, EP enabled swimming bacteria to have adaptive motions that were sustainable and regulated by the gene rsmA. As a result, they had less accumulation near the surface. The propulsion of adhered bacteria and adaptive escape of swimming bacteria were enhanced in response to low-amplitude EP. Hence, low-amplitude and short-duration EP is promising for sustainable antibiofouling applications.


Subject(s)
Bacterial Adhesion , Pseudomonas aeruginosa , Pseudomonas aeruginosa/physiology , Electrodes , Electricity , Biofouling/prevention & control
2.
Environ Sci Technol ; 58(12): 5347-5356, 2024 Mar 26.
Article in English | MEDLINE | ID: mdl-38478968

ABSTRACT

Dechlorination is one of the main processes for the natural degradation of polychlorinated biphenyls (PCBs) in an anaerobic environment. However, PCB dechlorination pathways and products vary with PCB congeners, types of functional dechlorinating bacteria, and environmental conditions. The present study develops a novel model for determining dechlorination pathways and fluxes by tracking redox potential variability, transforming the complex dechlorination process into a stepwise sequence. The redox potential is calculated via the Gibbs free energy of formation, PCB concentrations in reactants and products, and environmental conditions. Thus, the continuous change in the PCB congener composition can be tracked during dechlorination processes. The new model is assessed against four measurements from several published studies on PCB dechlorination. The simulation errors in all four measurements are calculated between 2.67 and 35.1% under minimum (n = 0) and maximum (n = 34) numbers of co-eluters, respectively. The dechlorination fluxes for para-dechlorination pathways dominate PCB dechlorination in all measurements. Furthermore, the model also considers multiple-step dechlorination pathways containing intermediate PCB congeners absent in both the reactants and the products. The present study indicates that redox potential might be an appropriate indicator for predicting PCB dechlorination pathways and fluxes even without prior knowledge of the functional dechlorinating bacteria.


Subject(s)
Polychlorinated Biphenyls , Polychlorinated Biphenyls/analysis , Polychlorinated Biphenyls/metabolism , Biodegradation, Environmental , Geologic Sediments/microbiology , Bacteria/metabolism , Oxidation-Reduction , Chlorine/metabolism
3.
Environ Sci Technol ; 58(17): 7617-7627, 2024 Apr 30.
Article in English | MEDLINE | ID: mdl-38632682

ABSTRACT

Commercial chemicals, such as synthetic musks, are of global concern, but data on their occurrence and spatial distribution in aquatic environments of large scale are scarce. Two sampling campaigns were conducted in the present study to measure freely dissolved synthetic musks in freshwaters across China using passive samplers, along with biological coexposure at selected sites. Polycyclic musks (PCMs) dominated synthetic musks, with a detection frequency of 95%. Higher concentrations of PCMs were observed in densely populated Mid, East, and South China compared to less populated regions, indicating the significance of anthropogenic activities for synthetic musks in water. The concentration ratios of galaxolide (HHCB)/tonalide (AHTN) were significantly higher in low-latitude areas than in high-latitude areas from June to September, suggesting that solar radiation played an important role in the degradation of HHCB/AHTN. Significant correlations were found between dissolved concentrations of HHCB and AHTN and their lipid-normalized concentrations in coexposed fish and clam. The estimated hazard quotients for HHCB and AHTN in freshwater fish consumed by humans were less than 0.01 at all sampling sites except the Yangtze River Basin. These results help to understand the environmental fate and ecological risks of synthetic musks on a large geographical scale.


Subject(s)
Fresh Water , Water Pollutants, Chemical , China , Water Pollutants, Chemical/analysis , Fresh Water/chemistry , Environmental Monitoring , Bioaccumulation , Benzopyrans , Animals , Tetrahydronaphthalenes/analysis , Fishes/metabolism , Fatty Acids, Monounsaturated
4.
Environ Sci Technol ; 58(35): 15415-15427, 2024 Sep 03.
Article in English | MEDLINE | ID: mdl-38696305

ABSTRACT

Identifying causative toxicants in mixtures is critical, but this task is challenging when mixtures contain multiple chemical classes. Effect-based methods are used to complement chemical analyses to identify toxicants, yet conventional bioassays typically rely on an apical and/or single endpoint, providing limited diagnostic potential to guide chemical prioritization. We proposed an event-driven taxonomy framework for mixture risk assessment that relied on high-throughput screening bioassays and toxicant identification integrated by deep learning. In this work, the framework was evaluated using chemical mixtures in sediments eliciting aryl-hydrocarbon receptor activation and oxidative stress response. Mixture prediction using target analysis explained <10% of observed sediment bioactivity. To identify additional contaminants, two deep learning models were developed to predict fingerprints of a pool of bioactive substances (event driver fingerprint, EDFP) and convert these candidates to MS-readable information (event driver ion, EDION) for nontarget analysis. Two libraries with 121 and 118 fingerprints were established, and 247 bioactive compounds were identified at confidence level 2 or 3 in sediment extract using GC-qToF-MS. Among them, 12 toxicants were analytically confirmed using reference standards. Collectively, we present a "bioactivity-signature-toxicant" strategy to deconvolute mixtures and to connect patchy data sets and guide nontarget analysis for diverse chemicals that elicit the same bioactivity.


Subject(s)
Deep Learning , Geologic Sediments , Geologic Sediments/chemistry , Water Pollutants, Chemical/toxicity , Gas Chromatography-Mass Spectrometry
5.
Environ Sci Technol ; 2024 Jul 20.
Article in English | MEDLINE | ID: mdl-39031616

ABSTRACT

Polycyclic aromatic hydrocarbons (PAHs), released from petrogenic, pyrogenic or diagenetic sources (degradation of wood materials), are of global concern due to their adverse effects, and potential for long-range transport. While dissolved PAHs have been frequently reported in the literature, there has been no consistent approach of sampling across water bodies. Passive samplers from the AQUA/GAPS-MONET initiative were deployed at 46 sites (28 marine and 18 freshwater), and analyzed for 28 PAHs and six polycyclic musks (PCMs) centrally. Freely dissolved PAH concentrations were dominated by phenanthrene (mean concentration 1500 pg L-1; median 530 pg L-1) and other low molecular weight compounds. Greatest concentrations of phenanthrene, fluoranthene, and pyrene were typically from the same sites, mostly in Europe and North America. Of the PCMs, only galaxolide (72% of samples) and tonalide (61%) were regularly detected, and were significantly cross-correlated. Benchmarking of PAHs relative to penta- and hexachlorobenzene confirmed that the most remote sites (Arctic, Antarctic, and mountain lakes) displayed below average PAH concentrations. Concentrations of 11 of 28 PAHs, galaxolide and tonalide were positively correlated (P < 0.05) with population density within a radius of 5 km of the sampling site. Characteristic PAH ratios gave conflicting results, likely reflecting multiple PAH sources and postemission changes.

6.
Environ Sci Technol ; 57(48): 20107-20117, 2023 Dec 05.
Article in English | MEDLINE | ID: mdl-37990860

ABSTRACT

Chemical transfer across the air-water interface is one of the most important geochemical processes of global significance. Quantifying such a process has remained extremely challenging due to the lack of suitable technologies to measure chemical diffusion across the air-water microlayer. Herein, we present a fluorescence optical system capable of visualizing the formation of the air-water microlayer with a spatial resolution of 10 µm and quantifying air-water diffusion fluxes using pyrene as a target chemical. We show for the first time that the air-water microlayer is composed of the surface microlayer in water (∼290 ± 40 µm) and a diffusion layer in air (∼350 ± 40 µm) with 1 µg L-1 of pyrene. The diffusion flux of pyrene across the air-water interface is derived from its high-resolution concentration profile without any pre-emptive assumption, which is 2 orders of magnitude lower than those from the conventional method. This system can be expanded to visualize diffusion dynamics of other fluorescent chemicals across the air-water interface and provides a powerful tool for furthering our understanding of air-water mass transfer of organic chemicals related to their global cycling.


Subject(s)
Environmental Monitoring , Water , Environmental Monitoring/methods , Organic Chemicals , Pyrenes
7.
Environ Sci Technol ; 57(25): 9342-9352, 2023 06 27.
Article in English | MEDLINE | ID: mdl-37294896

ABSTRACT

Persistent organic pollutants (POPs) are recognized as pollutants of global concern, but so far, information on the trends of legacy POPs in the waters of the world has been missing due to logistical, analytical, and financial reasons. Passive samplers have emerged as an attractive alternative to active water sampling methods as they accumulate POPs, represent time-weighted average concentrations, and can easily be shipped and deployed. As part of the AQUA-GAPS/MONET, passive samplers were deployed at 40 globally distributed sites between 2016 and 2020, for a total of 21 freshwater and 40 marine deployments. Results from silicone passive samplers showed α-hexachlorocyclohexane (HCH) and γ-HCH displaying the greatest concentrations in the northern latitudes/Arctic Ocean, in stark contrast to the more persistent penta (PeCB)- and hexachlorobenzene (HCB), which approached equilibrium across sampling sites. Geospatial patterns of polychlorinated biphenyl (PCB) aqueous concentrations closely matched original estimates of production and use, implying limited global transport. Positive correlations between log-transformed concentrations of Σ7PCB, ΣDDTs, Σendosulfan, and Σchlordane, but not ΣHCH, and the log of population density (p < 0.05) within 5 and 10 km of the sampling sites also supported limited transport from used sites. These results help to understand the extent of global distribution, and eventually time-trends, of organic pollutants in aquatic systems, such as across freshwaters and oceans. Future deployments will aim to establish time-trends at selected sites while adding to the geographical coverage.


Subject(s)
Air Pollutants , Environmental Pollutants , Hydrocarbons, Chlorinated , Pesticides , Polychlorinated Biphenyls , Polychlorinated Biphenyls/analysis , Environmental Monitoring/methods , Hexachlorobenzene/analysis , Fresh Water , Air Pollutants/analysis , Pesticides/analysis , Hydrocarbons, Chlorinated/analysis
8.
Ecotoxicology ; 32(3): 336-343, 2023 Apr.
Article in English | MEDLINE | ID: mdl-36964297

ABSTRACT

There is growing contamination of copper (Cu) in the marine environment, particularly after the ban of organotin compounds and the increase of the use of Cu-based antifouling paints. Although there are increasing research interests in temperature-dependent chemical toxicity to aquatic organisms, most existing studies focused on acute impacts of chemicals at high concentrations. This study aimed to investigate the interacting effect of temperature and copper exposure at environmentally relevant concentrations on survival and development in the marine copepod Tigriopus japonicus with a partial life-cycle toxicity test. Expressions of five stress response genes in the copepod, namely two glutathione S-transferases (GST-S and GST-O), two heat shock proteins (HSP70 and HSP90), and glutathione reductase (GR) were also investigated. The copepod's survival was significantly impaired at 15 °C after development to adult stage, while its developmental time reduced significantly with increasing temperature. Copper at the two environmentally relevant test concentrations had no significant impacts on these apical endpoints whereas the interaction between Cu and temperature was more significant in modulating gene expressions. GST-S, GST-O and HSP90 genes in copepods exposed to 100 µg Cu L-1 were significantly upregulated at 20 °C. At 32 °C, most genes were either insignificantly expressed or down-regulated, compared to the control, likely suggesting that thermal stress inhibited the copepod's antioxidative defense system. Overall, the results revealed that the joint Cu and thermal stresses have significantly elicited antioxidative system in the copepods. It clearly demonstrated the need for more fundamental studies about potential impacts of different environmental factors such as temperature on chemical toxicity under realistic scenario of marine pollution.


Subject(s)
Copepoda , Water Pollutants, Chemical , Animals , Copper/toxicity , Copper/metabolism , Copepoda/genetics , Temperature , Toxicity Tests/methods , Antioxidants/metabolism , Water Pollutants, Chemical/toxicity , Water Pollutants, Chemical/metabolism
9.
Environ Sci Technol ; 56(18): 12785-12792, 2022 09 20.
Article in English | MEDLINE | ID: mdl-36067032

ABSTRACT

E-waste recycling has been a hot topic around the world. This Feature revisits the issues raised by our previous Feature 10 years ago, i.e., the environmental, economic, and social benefits of e-waste recycling, using China as an example. The decadal journey of e-waste recycling has witnessed a giant leap from haphazard disposal initially to regulated disassembly presently. Specific successful stories include cleaned environment and reduced human exposure, significant advantages of urban mining over mineral mining, additional employment opportunities, and improved legislation system related to e-waste recycling. Strict legislation systems related to e-waste management based on the principle of Extended Producer Responsibility are key to the sustainable development of the e-waste recycling sector in China. The experiences and lessons learned in China would provide valuable guidelines for other developing countries.


Subject(s)
Electronic Waste , Waste Management , China , Electronic Waste/analysis , Humans , Mining , Recycling
10.
Environ Sci Technol ; 56(18): 12999-13007, 2022 09 20.
Article in English | MEDLINE | ID: mdl-36069103

ABSTRACT

Dermal exposure to chemicals derived from object surface contact is an important contributor to increased health risk. However, chemical transfer induced by mechanical friction between dermal and object surface has yet to be adequately addressed. To fill this knowledge gap, rubbing fabrics were used as surrogate skins to stimulate dermal mechanical friction with pad products with phthalates as target analytes. The results showed that the amounts of phthalates transferred increased linearly with contact burden (50-1000 g), contact duration (1-10 min), and sliding speed (3.0-9.0 cm s-1). The surface texture of surrogate skins dictated the accumulation of phthalates. Net/pocket micro-surface structures of rubbing fabrics induced a higher accumulation of phthalates than U-shape structures of fabrics with a similar surface roughness. Covering of the pad surface by a layer of textile was effective in minimizing the transfer of phthalates induced by mechanical motion. The estimated transfer efficiency of bis(2-ethylhexyl) ester (DEHP) derived from rubbing friction (0.005-0.05%) upon the pad surface over 8 h was greater than those for gas-phase emission (0.00002-0.0005% over 24 h) and sweat transfer (0.008-0.012% over 24 h). These results indicated that dermal frictional contact with the surface of pad products was an important exposure pathway.


Subject(s)
Diethylhexyl Phthalate , Phthalic Acids , Environmental Exposure , Esters , Friction
11.
Environ Sci Technol ; 56(12): 8053-8060, 2022 06 21.
Article in English | MEDLINE | ID: mdl-35635183

ABSTRACT

Liquid crystal monomers (LCMs) have been found to accumulate in indoor environments, but the emission kinetics of LCMs from electronic devices are not well understood. Leakage from damaged liquid crystal displays may be an important mechanism for LCMs to enter the environment and become potential health hazards to humans. To address this issue, we conducted chamber experiments to characterize the emissions of LCMs from obsolete smartphone screens and estimated the doses of residential and occupational exposures to LCMs. The emission rates of the detected LCMs were in the ranges of 0.1-7 µg m-2 h-1 at 80 °C, 0.05-7 µg m-2 h-1 at 60 °C, and 0.002-0.2 µg m-2 h-1 at 25 °C. Liquid crystal monomers with large molecular weights and low volatilities tended to accumulate at screen surfaces and were re-emitted at elevated temperatures, leading to high emission rates of heavy LCMs upon thermal treatment. The estimated doses of residential and occupational exposures to individual LCMs were 0.0001-0.009 and 0.007-2 ng kg-1 d-1, respectively. As LCMs are potentially carcinogenic based on in silico assessments, LCMs emitted from obsolete smartphones in indoor settings may become human health hazards.


Subject(s)
Air Pollutants , Air Pollution, Indoor , Liquid Crystals , Air Pollutants/analysis , Air Pollution, Indoor/analysis , Environmental Monitoring , Humans , Smartphone
12.
Environ Sci Technol ; 56(17): 12003-12013, 2022 09 06.
Article in English | MEDLINE | ID: mdl-35948419

ABSTRACT

Transformation of organophosphate esters (OPEs) in natural ambient air and potential health risks from coexposure to OPEs and their transformation products are largely unclear. Therefore, a novel framework combining field-based investigation, in silico prediction, and target and suspect screening was employed to understand atmospheric persistence and health impacts of OPEs. Alkyl-OPE transformation products ubiquitously occurred in urban ambient air. The transformation ratios of tris(2-butoxyethyl) phosphate were size-dependent, implying that transformation processes may be affected by particle size. Transformation products of chlorinated- and aryl-OPEs were not detected in atmospheric particles, and atmospheric dry deposition might significantly contribute to their removal. Although inhalation risk of coexposure to OPEs and transformation products in urban ambient air was low, health risks related to OPEs may be underestimated as constrained by the identification of plausible transformation products and their toxicity testing in vitro or in vivo at current stage. The present study highlights the significant impact of particle size on the atmospheric persistence of OPEs and suggests that health risk assessments should be conducted with concurrent consideration of both parental compounds and transformation products of OPEs, in view of the nonnegligible abundances of transformation products in the air and their potential toxicity in silico.


Subject(s)
Environmental Monitoring , Flame Retardants , China , Environmental Monitoring/methods , Esters , Flame Retardants/analysis , Organophosphates , Risk Assessment
13.
Environ Res ; 204(Pt A): 112011, 2022 03.
Article in English | MEDLINE | ID: mdl-34492276

ABSTRACT

Human brain has a complex structure and is able to perform powerful functions. Blood-brain barrier blocks the entry of foreign substances and maintains the homeostasis of the brain. However, some exogenous substances are still able to pass through the blood-brain barrier, with distribution patterns yet to be clarified. Perfluoroalkyl and polyfluoroalkyl substances (PFASs), including perfluoroalkyl carboxylic acids (PFCAs), perfluoroalkyl sulfonic acids (PFSAs), a precursor (perfluorooctane sulfonamide that can be degraded to other substances), and emerging PFASs, were analyzed for the first time in living human brain glioma. The target compounds were detected and quantified in 25 out of 26 glioma samples. The concentration range of ∑PFAS was < RL-51 ng g-1 wet weight (applied to all reported concentrations), with a median of 2.9 ng g-1. The most abundant compound was PFCAs (40%), followed by PFSAs (28%), emerging PFASs (22%), and perfluorooctane sulfonamide (10%). Abundant alternatives PFASs, including short-chain PFCAs, short-chain PFSAs, and emerging PFASs (52% of ∑PFAS), were found in the glioma samples, supporting the notion that low molecular weight exogenous compounds have high permeability to cross the blood-brain barrier and accumulate in brain tissue. Gender difference was not significant (p > 0.05) in the concentrations of PFASs in the glioma samples. Concentrations of PFASs increased with increasing age, from 0.61 ng g-1 (0-14 years old) to 1.6 ng g-1 (>48 years old), with no significant linear correlation with age. The present study suggested that glioma is an effective indicator for monitoring exogenous contaminants in brain tissues.


Subject(s)
Alkanesulfonic Acids , Fluorocarbons , Glioma , Water Pollutants, Chemical , Adolescent , Alkanesulfonic Acids/analysis , Brain , Child , Child, Preschool , Environmental Monitoring , Fluorocarbons/analysis , Humans , Infant , Infant, Newborn , Middle Aged , Water Pollutants, Chemical/analysis
14.
Proc Natl Acad Sci U S A ; 116(34): 16773-16780, 2019 08 20.
Article in English | MEDLINE | ID: mdl-31383761

ABSTRACT

In addition to many recent actions taken to reduce emissions from energy production, industry, and transportation, a new campaign substituting residential solid fuels with electricity or natural gas has been launched in Beijing, Tianjin, and 26 other municipalities in northern China, aiming at solving severe ambient air pollution in the region. Quantitative analysis shows that the campaign can accelerate residential energy transition significantly, and if the planned target can be achieved, more than 60% of households are projected to remove solid fuels by 2021, compared with fewer than 20% without the campaign. Emissions of major air pollutants will be reduced substantially. With 60% substitution realized, emission of primary PM2.5 and contribution to ambient PM2.5 concentration in 2021 are projected to be 30% and 41% of those without the campaign. With 60% substitution, average indoor PM2.5 concentrations in living rooms in winter are projected to be reduced from 209 (190 to 230) µg/m3 to 125 (99 to 150) µg/m3 The population-weighted PM2.5 concentrations can be reduced from 140 µg/m3 in 2014 to 78 µg/m3 or 61 µg/m3 in 2021 given that 60% or 100% substitution can be accomplished. Although the original focus of the campaign was to address ambient air quality, exposure reduction comes more from improved indoor air quality because ∼90% of daily exposure of the rural population is attributable to indoor air pollution. Women benefit more than men.


Subject(s)
Air Pollution/analysis , Energy-Generating Resources , Family Characteristics , Fossil Fuels , Policy , China , Electricity , Environmental Exposure , Geography , Particulate Matter/analysis , Time Factors
15.
Environ Sci Technol ; 55(23): 15961-15968, 2021 12 07.
Article in English | MEDLINE | ID: mdl-34793136

ABSTRACT

Dermal absorption of gaseous chemicals is an important contributor to increased health risk and has yet to be adequately addressed due to the lack of available sampling techniques. In the present study, a novel personal passive sampler consisting of a housing (embracing a polydimethylsiloxane (PDMS) disk as the sorbent phase, a membrane filter, and a stainless-steel mesh) and a watchband (traditional wristband) was constructed and used to characterize gaseous phthalates (PAEs) near the air-skin interface. In a real-life setting, the utility of the passive sampler was validated by comparing the composition profiles of PAEs in the PDMS disks and in active samples and watchbands. The compositions of PAEs were consistent in disks and gaseous constituents from ambient air, with low-molecular-weight (<306 g mol-1) PAEs accounting for 87-100% and approximately 100%, respectively. Appreciable amounts of diisononyl phthalate, diisodecyl phthalate, dinonyl phthalate, and skin lipid (e.g., squalene) were detected in watchbands but not in disks. Apparently, the passive sampler can prevent particles and skin-related chemicals from adhering to the disk and collect gaseous PAEs only. The vast majority of PAEs in watchbands was associated with nongaseous constituents. The present study demonstrated that the sampling strategy is a key factor in exposure assessment.


Subject(s)
Air Pollutants , Phthalic Acids , Air Pollutants/analysis , Environmental Monitoring , Gases , Housing , Phthalic Acids/analysis
16.
Environ Sci Technol ; 55(1): 519-528, 2021 01 05.
Article in English | MEDLINE | ID: mdl-33295769

ABSTRACT

Transplacental transfer of environmental chemicals results in direct risks to fetal development. Although numerous studies have investigated transplacental transfer efficiencies (TTEs) of environmental chemicals, the underlying mechanisms and influencing factors remain poorly understood. The present study aims to synthesize a current state of knowledge on the TTEs of major environmental chemicals and explore the roles of chemicals' molecular descriptors and placental transporters in the transplacental transfer. The results indicate great variations in TTEs (median: 0.29-2.86) across 51 chemicals. Chemical-dependent TTEs may partially be attributed to the influences of chemicals' molecular descriptors. Predictive models based on experimental TTEs and 1790 computed molecular descriptors indicate that a very limited number of molecular descriptors, such as the topological polar surface area, may substantially influence and efficiently predict chemicals' TTEs. In addition, molecular docking analyses were conducted to determine the binding affinities between 51 chemicals and six selected transporters, including BCRP, MDR1, hENT1, FRα, SERT, and MRP1. The results reveal transporter- and chemical-dependent binding affinities. Therefore, our study demonstrates that molecular descriptors and placental transporters, among a variety of other factors, can play important roles in the transplacental transfer of environmental chemicals. However, the underlying mechanisms and several important knowledge gaps identified herein require further investigations.


Subject(s)
Neoplasm Proteins , Placenta , ATP Binding Cassette Transporter, Subfamily G, Member 2 , Female , Humans , Membrane Transport Proteins , Molecular Docking Simulation , Neoplasm Proteins/metabolism , Placenta/metabolism , Pregnancy
17.
Environ Sci Technol ; 54(13): 8221-8231, 2020 07 07.
Article in English | MEDLINE | ID: mdl-32484664

ABSTRACT

Identifying potential persistent organic pollutants (POPs) and persistent, bioaccumulative, and toxic (PBT) substances from industrial chemical inventories are essential for chemical risk assessment, management, and pollution control. Inspired by the connections between chemical structures and their properties, a deep convolutional neural network (DCNN) model was developed to screen potential PBT/POP-like chemicals. For each chemical, a two-dimensional molecular descriptor representation matrix based on 2424 molecular descriptors was used as the model input. The DCNN model was trained via a supervised learning algorithm with 1306 PBT/POP-like chemicals and 9990 chemicals currently known as non-POPs/PBTs. The model can achieve an average prediction accuracy of 95.3 ± 0.6% and an F-measurement of 79.3 ± 2.5% for PBT/POP-like chemicals (positive samples only) on external data sets. The DCNN model was further evaluated with 52 experimentally determined PBT chemicals in the REACH PBT assessment list and correctly recognized 47 chemicals as PBT/non-PBT chemicals. The DCNN model yielded a total of 4011 suspected PBT/POP like chemicals from 58 079 chemicals merged from five published industrial chemical lists. The proportions of PBT/POP-like substances in the chemical inventories were 6.9-7.8%, higher than a previous estimate of 3-5%. Although additional PBT/POP chemicals were identified, no new family of PBT/POP-like chemicals was observed.


Subject(s)
Deep Learning , Environmental Pollutants , Environmental Monitoring , Environmental Pollutants/analysis , Environmental Pollution , Risk Assessment
18.
Environ Sci Technol ; 54(3): 1782-1789, 2020 02 04.
Article in English | MEDLINE | ID: mdl-31809028

ABSTRACT

Research has already demonstrated the toxic effects of microplastics (MPs) on different biota. However, the underlying toxic mechanism of MPs remains to be elucidated, especially the effect of particle size and the presence of dissolved organic matter in water. This study investigated the impact on Scenedesmus obliquus exposed in five types of polystyrene particle suspensions with different sizes and surface charges, in the presence and absence of humic acid (HA). Results indicated that the 50% growth inhibition rate of S. obliquus showed no significant difference between the five types of MPs, but the toxic mechanism varied with particle size. Larger size MPs caused adverse effects by blocking the light transport and affecting photosynthesis, while smaller ones destroyed the cell wall by adsorbing onto the algae surface. Also, the addition of HA significantly alleviated the toxicity of smaller size MPs, but not of the larger ones. Scanning electron microscopy images and the reactive oxygen species assay demonstrated that the HA could form a corona on the surface of MPs, reduce the affinity to microalgae, and minimize the adverse effect. Together, these findings identified important factors in determining the toxicity of MPs, providing valuable data for risk assessment of MPs.


Subject(s)
Microalgae , Water Pollutants, Chemical , Humic Substances , Microplastics , Plastics
19.
Environ Sci Technol ; 54(24): 15852-15860, 2020 12 15.
Article in English | MEDLINE | ID: mdl-33253555

ABSTRACT

Global rivers act as a dominant transport pathway for land-based plastic debris to the marine environment. Organic pollutants (OPs) affiliated with riverine plastics can also enter the global oceans, but their amounts remain unknown. Microplastic (MP) samples were collected in a one-year sampling event from the surface water of the eight main riverine outlets in the Pearl River Delta (PRD), China, and analyzed for OPs affiliated with MPs, including 16 polycyclic aromatic hydrocarbons (PAHs), eight polybrominated diphenyl ethers (PBDEs), and 14 polychlorinated biphenyls (PCBs). The mean concentrations of MP-affiliated ∑16PAH, ∑8PBDE, and ∑14PCB were 2010 (range: 25-40,100), 412 (range: 0.84-14,800), and 67.7 (range: 1.86-456) ng g-1, respectively. Based on these and previous results, the annual riverine outflows of MP-affiliated OPs were 148, 83, and 8.03 g for ∑16PAH, ∑8PBDE, and ∑14PCB, respectively. Assuming that plastic debris of different sizes contained the same concentrations of the target pollutants as MPs, the mean riverine outflows of plastic-bound ∑16PAH, ∑8PBDE, and ∑14PCB were 6.75, 3.77, and 0.37 kg year-1, respectively, which were insignificant compared with the riverine outflows of OPs through riverine water discharge (up to hundred tons per year). Apparently, plastics are an insignificant carrier of riverine OPs to the coastal oceans.


Subject(s)
Environmental Pollutants , Polychlorinated Biphenyls , Polycyclic Aromatic Hydrocarbons , Water Pollutants, Chemical , China , Environmental Monitoring , Oceans and Seas , Plastics , Polychlorinated Biphenyls/analysis , Polycyclic Aromatic Hydrocarbons/analysis , Rivers , Water Pollutants, Chemical/analysis
20.
Environ Sci Technol ; 54(12): 7398-7408, 2020 06 16.
Article in English | MEDLINE | ID: mdl-32422038

ABSTRACT

Over a third of the world's annual chemical production and sales occur in China. Thus, knowledge of the properties of the substances produced and emitted there is important from a global perspective. The chemical Inventory of Existing Chemical Substances of China (IECSC) lists over 45 000 chemicals. When compared to the North American and European chemical inventories, 6916 substances were found to be unique to the IECSC. We retrieved structural information for 14 938 organic chemicals in the IECSC and determined their overall environmental persistence , bioaccumulation factor (BAF), and long-range transport potential (transfer efficiency) using in silico approaches with the goal of identifying new chemicals with properties that might lead to global contamination issues. Overall, 10% of the 14 938 chemicals were unique to the IECSC and their environmental persistence and BAF were statistically higher than the values for the rest of the IECSC chemicals. We prioritized 27 neutral organic compounds predicted to have prolonged environmental persistence, and high potential for bioaccumulation and long-range transport when compared with polychlorinated biphenyls as a benchmark. We also identified 69 organofluorine compounds with three or more perfluorinated moieties, unique to the IECSC. Screening approaches and results from this study help to identify and prioritize those to be considered in further environmental modeling and monitoring assessments.


Subject(s)
Environmental Pollutants , Polychlorinated Biphenyls , China , Environmental Monitoring , Environmental Pollutants/analysis , Industry , Organic Chemicals
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