Polychlorinated dibenzo-p-dioxins (PCDDs) are of global concern due to their persistence, bioaccumulation and toxicity. Although the fate of PCDDs in the environment is determined by their physical-chemical properties, such as aqueous solubility, vapor pressure, octanol/water-, air/water-, and octanol/water-partition coefficients, experimental property data on the entire set of 75 PCDD congeners are limited. The quantitative structure-property relationship (QSPR) approach is applied to predict the properties of all PCDD congeners. Experimental property data available from the literature are correlated against 16 molecular descriptors of five types. Reported and newly developed QSPR models for PCDDs are presented and reviewed. The values calculated by the best QSPRs are further adjusted to satisfy fundamental thermodynamic relationships. Although the single-descriptor models with chlorine number, molar volume, solvent accessible surface area and polarizability are based on good statistical results, these models cannot distinguish among PCDDs having the same chlorine number. The QSPR model based on the hyper-Wiener index of quantum-chemical descriptor gives useful statistical results and is able to distinguish among congeners with the same chlorine number, as well as satisfying thermodynamic relationships. The resulting consistent properties of the 75 PCDD congeners can be used for environmental modeling.

Oxytracycline (OTC) is a broad spectrum antibiotic authorized for use in European aquaculture. Its photo-degradation has been widely studied in synthetic aqueous solutions, sometimes resorting to expensive methods and without proven effectiveness in natural waters. Thus, this work studied the possibility to apply the solar photo-degradation for removal of OTC from marine aquaculture's waters. For that, water samples were collected at different locals of the water treatment circuit, from two different aquaculture companies. Water samples were firstly characterized regarding to pH, salinity, total suspended solids (TSS), organic carbon and UV–Vis spectroscopic characteristics. Then, the samples were spiked with OTC and irradiated using simulated sunlight in order to evaluate the matrix effects on OTC photo-degradation. From kinetic results, the apparent quantum yields and the outdoor half-life times, at 40°N for midsummer and midwinter days were estimated by the first time for these conditions. For a midsummer day, at sea level, the outdoor half-life time predicted for OTC in these aquaculture's waters ranged between 21 and 25 min. Additionally, the pH and salinity effects on the OTC photo-degradation were evaluated and it has been shown that high pH values and the presence of sea salt increase the OTC photo-degradation rate in aquaculture's waters, compared to results in deionised water. The results are very promising to apply this low-cost methodology using the natural sunlight in aquaculture's waters to remove OTC.

NM's potential to induce adverse effects in humans or the environment is being addressed in numerous research projects, and methods and tools for NM hazard identification and risk assessment are advancing. This article describes how integrated approaches for the testing and assessment of NMs can ensure the safety of nanomaterials, while adhering to the 3Rs principle.

There is an urgent need for sufficient knowledge to allow reliable assessment of the risks associated with engineered nanomaterials (ENPs). Significant advances in basic understanding of nano safety have been made, but there is still no clear systematic basis for risk-related research, and major uncertainties remain in the absence of uniform procedures. The following papers provide the guidance on how to proceed within the area of fate and hazard assessment, and how this links into grouping, testing and risk assessment of nanomaterials. This guidance is coupled with an industrial view on the most important research areas for nanomaterials.

Mining activities have introduced various pollutants to surrounding aquatic and terrestrial environments, causing adverse impacts to the environment. Indigenous microbial communities are responsible for the biogeochemical cycling of pollutants in diverse environments, indicating the potential for bioremediation of such pollutants. Antimony (Sb) has been extensively mined in China and Sb contamination in mining areas has been frequently encountered. To date, however, the microbial composition and structure in response to Sb contamination has remained overlooked. Sb and As frequently co-occur in sulfide-rich ores, and co-contamination of Sb and As is observed in some mining areas. We characterized, for the first time, the microbial community profiles and their responses to Sb and As pollution from a watershed heavily contaminated by Sb tailing pond in Southwest China. The indigenous microbial communities were profiled by high-throughput sequencing from 16 sediment samples (535,390 valid reads). The comprehensive geochemical data (specifically, physical-chemical properties and different Sb and As extraction fractions) were obtained from river water and sediments at different depths as well. Canonical correspondence analysis (CCA) demonstrated that a suite of in situ geochemical and physical factors significantly structured the overall microbial community compositions. Further, we found significant correlations between individual phylotypes (bacterial genera) and the geochemical fractions of Sb and As by Spearman rank correlation. A number of taxonomic groups were positively correlated with the Sb and As extractable fractions and various Sb and As species in sediment, suggesting potential roles of these phylotypes in Sb biogeochemical cycling.

A regional investigation in the Youxian prefecture, southern China, was conducted to analyze the impact of environmental factors including soil properties and irrigation in conjunction with the use of fertilizers on the accumulation of Cd in vegetables. The Cd transfer potential from soil to vegetable was provided by the plant uptake factor (PUF), which varied by three orders of magnitude and was described by a Gaussian distribution model. The soil pH, content of soil organic matter (SOM), concentrations of Zn in the soil, pH of irrigation water and nitrogenous fertilizers contributed significantly to the PUF variations. A path model analysis, however, revealed the principal control of the PUF values resulted from the soil pH, soil Zn concentrations and SOM. Transfer functions were developed using the total soil Cd concentrations, soil pH, and SOM. They explained 56% of the variance for all samples irrespective of the vegetable genotypes. The transfer functions predicted the probability of exceeding China food safety standard concentrations for Cd in four major consumable vegetables under different soil conditions. Poor production practices in the study area involved usage of soil with pH values ≤ 5.5, especially for the cultivation of Raphanus sativus L., even with soil Cd concentrations below the China soil quality standard. We found the soil standard Cd concentrations for cultivating vegetables was not strict enough for strongly acidic (pH ≤ 5.5) and SOM-poor (SOM ≤ 10 g kg−1) soils present in southern China. It is thus necessary to address the effect of environmental variables to generate a suitable Cd threshold for cultivated soils.

A total of 21 surface sediments collected from the Yellow River Estuary, China were analyzed for 40 kinds of polybrominated diphenyl ethers (PBDEs) using gas chromatography-mass spectrometry (GC–MS). Their levels, spatial distribution, congener profiles and possible sources were investigated. Only ten congeners were detected in the sediments. The total concentrations of the lower brominated BDEs (∑PBDEslow, PBDEs excluding BDE 209) and BDE 209 ranged from 0.482 ng/g to 1.07 ng/g and 1.16–5.40 ng/g, with an average value of 0.690 and 2.79 ng/g, respectively, which were both at the low end of the global contamination level. The congener profiles were dominated by BDE 209, with the average value accounting for 79.2% of the total PBDEs in the sediment samples. Among the nine lower brominated BDE congeners, BDE 47, 99 and 183 had high abundances. Although the commercial Penta/Octa-BDE products have been banned in most countries, the residual commercial Penta/Octa/Deca-BDE products and the debromination of highly brominated BDE compounds such as BDE 209 were still found to be the possible sources for the trace level of PBDEs in the present study area. In spite of the gradual removal of the commercial PBDEs in the world, the present research results further suggested that scientific attention should not be reduced on the issue of environmental contamination caused by these outdated chemical compounds.

The sensitivity of a source apportionment model to mobile source profiles was examined to determine the impact of using non-local mobile source profiles in chemical mass balance (CMB) models. We examined the impact of USA and Chinese mobile source profiles on source apportionment results in St. Louis, Missouri, and Beijing. The results showed that the use of non-local mobile source profiles did not impact the model apportionment results for vegetative detritus and biomass burning, but other primary source contributions were influenced by the use of non-local source profiles. Secondary organic carbon (SOC) contributions estimated by the CMB models with local and non-local profiles were compared to estimate of SOC from the EC tracer method and were found to be consistent with little bias. The results also showed that it is feasible to use the USA mobile profiles in China while model results were biased by using Chinese mobile profiles in the USA. Monthly and annual average concentrations of molecular markers in the source apportionment model showed lower sensitivity to source profiles than daily measurements, which has implications to the design of source apportionment studies.

Mercury (Hg) is recognized as a dangerous contaminant due to its bioaccumulation and biomagnification within trophic levels, leading to serious health risks to aquatic biota. Therefore, there is an urgent need to unravel the mechanisms underlying the toxicity of Hg. To this aim, a metabolomics approach based on protonic nuclear magnetic resonance (1H NMR), coupled with chemometrics, was performed on the gills of wild golden grey mullets L. aurata living in an Hg-polluted area in Ria de Aveiro (Portugal). Gills were selected as target organ due to their direct and continuous interaction with the surrounding environment. As a consequence of accumulated inorganic Hg and methylmercury, severe changes in the gill metabolome were observed, indicating a compromised health status of mullets. Numerous metabolites, i.e. amino acids, osmolytes, carbohydrates, and nucleotides, were identified as potential biomarkers of Hg toxicity in fish gills. Specifically, decrease of taurine and glycerophosphocholine, along with increased creatine level, suggested Hg interference with the ion-osmoregulatory processes. The rise of lactate indicated anaerobic metabolism enhancement. Moreover, the increased levels of amino acids suggested the occurrence of protein catabolism, further supported by the augmented alanine, involved in nitrogenous waste excretion. Increased level of isobutyrate, a marker of anoxia, was suggestive of onset of hypoxic stress at the Hg contaminated site. Moreover, the concomitant reduction in glycerophosphocholine and phosphocholine reflected the occurrence of membrane repair processes. Finally, perturbation in antioxidant defence system was revealed by the depletion in glutathione and its constituent amino acids. All these data were also compared to the differential Hg-induced metabolic responses previously observed in liver of the same mullets (Brandão et al., 2015). Overall, the environmental metabolomics approach demonstrated its effectiveness in the evaluation of Hg toxicity mechanisms in wild fish under realistic environmental conditions, uncovering tissue-specificities regarding Hg toxic effects namely in gills and liver.

To assess pollution levels of major inorganic nitrogen species and their atmospheric deposition input to sensitive ecosystems in Sichuan Basin, southwest China, ambient concentrations of oxidized (NOy ∼ NO2, HNO3, NO3−) and reduced (NHx = NH3, NH4+) nitrogen species were collected at two urban sites during four one-month periods, each in a different season from July 2014 to April 2015. Estimated annual mean concentration of NOy was 20.3 and 13.5 μg N m−3 in Chengdu and Wanzhou, respectively, and NHx was 16.9 and 13.6 μg N m−3, respectively. Back trajectory cluster analysis indicated that high levels of NOy and NHx in Chengdu were mainly caused by local emissions while those in Wanzhou were caused by both the local emissions and long-range transport of pollutants. On annual basis, NO2 contributed the most to NOy, followed by NO3− and HNO3, accounting for 87.5%, 10.5% and 2.0%, respectively, of NOy in Chengdu, and 91.4%, 6.9% and 1.7%, respectively, in Wanzhou. NH3 was the predominant contributor to NHx, contributing 65.6% and 72.2% in Chengdu and Wanzhou, respectively. Dry deposition fluxes were estimated using the inferential method with measured ambient concentrations and modelled dry deposition velocities. The total inorganic nitrogen dry deposition flux was estimated to be 21.4 and 8.5 kg N ha−1 yr−1, with 44.3% and 41.4% from NOy in Chengdu and Wanzhou, respectively. NO2 and NH3 each contributed about 80% of NOy and NHx dry deposition, respectively. Wet deposition was only collected in Wanzhou, where the annual wet deposition of NO3− and NH4+ was 4.5 and 15.7 kg N ha−1 yr−1, respectively. The total wet plus dry deposition was 28.7 kg N ha−1 yr−1 in Wanzhou with 72.2% from reduced nitrogen. Therefore, controlling NH3 emissions from agricultural, traffic, waste containers and sewage system sources would be effective to reduce the total nitrogen deposition in the Sichuan Basin area.