Models can be used to assess long-term risks of sediment-bound contaminants at the population level. However, these models usually lack the coupling between chemical fate in the sediment, toxicokinetic-toxicodynamic processes in individuals and propagation of individual-level effects to the population. We developed a population model that includes all these processes, and used it to assess the importance of chemical uptake routes on a Chironomus riparius population after pulsed exposure to the pesticide chlorpyrifos. We show that particle ingestion is an important additional exposure pathway affecting C. riparius population dynamics and recovery. Models ignoring particle ingestion underestimate the impact and the required recovery times, which implies that they underestimate risks of sediment-bound chemicals. Additional scenario studies showed the importance of selecting the biologically relevant sediment layer and showed population effects in the long term.

Phytoextraction is one of the most promising technologies for the remediation of metal contaminated soils. Changes in soil metal availability during phytoremediation have direct effects on removal efficiency and can also illustrate the interactive mechanisms between hyperaccumulators and metal contaminated soils. In the present study the changes in metal availability, desorption kinetics and speciation in four metal-contaminated soils during repeated phytoextraction by the zinc/cadmium hyperaccumulator Sedum plumbizincicola (S. plumbizincicola) over three years were investigated by chemical extraction and the DGT-induced fluxes in soils (DIFS) model. The available metal fractions (i.e. metal in the soil solution extracted by CaCl2 and by EDTA) decreased greatly by >84% after phytoextraction in acid soils and the deceases were dramatic at the initial stages of phytoextraction. However, the decreases in metal extractable by CaCl2 and EDTA in calcareous soils were not significant or quite low. Large decreases in metal desorption rate constants evaluated by DIFS were found in calcareous soils. Sequential extraction indicated that the acid-soluble metal fraction was easily removed by S. plumbizincicola from acid soils but not from calcareous soils. Reducible and oxidisable metal fractions showed discernible decreases in acid and calcareous soils, indicating that S. plumbizincicola can mobilize non-labile metal for uptake but the residual metal cannot be removed. The results indicate that phytoextraction significantly decreases metal availability by reducing metal pool sizes and/or desorption rates and that S. plumbizincicola plays an important role in the mobilization of less active metal fractions during repeated phytoextraction.

This study focused on the combined effect of environmental conditions (temperature) and contamination (polycyclic aromatic hydrocarbons, PAHs) on the activity of soil microorganisms (nitrifying bacteria). Phenanthrene (Phe) at five contamination levels (0, 1, 10, 100 and 1000 mg kg−1 dry mass of soil) was employed as a model PAH compound in laboratory experiments that were conducted at three temperatures (i.e., 20 °C (recommended by ISO 15685 method), 15 and 30 °C). Three soils with different properties were used in these studies, and the activity of the nitrifying bacteria was assessed based on nitrification potential (NP) determinations. For the statistical evaluation of the results, the ANCOVA (analysis of covariance) method for three independent variables (i.e., temperature, phenanthrene concentration, soil matrix (as a qualitative variable)) and their interactions was employed. The results indicated on the significant interaction of all studied factors. Temperature influenced the toxicity of Phe towards NP, and this effect was related to the Phe concentration as well as was varied for the different soils. A low content of soil organic matter (controlling bioavailability of phenanthrene to soil microorganisms) enhanced the combined effect of temperature and Phe toxicity, and a high biological activity of the soil (high NP values) increased the effect of high temperature on the Phe stimulatory influence. The results indicate that the temperature should not be neglected in tests evaluating PAH ecotoxicity, especially for reliable ecological risk assessment.

The levels of nitrate in 52 drinking water wells in rural Central Java, Indonesia were evaluated in April 2014, and the results were used for a health risk assessment for the local populations by using probabilistic techniques. The concentrations of nitrate in drinking water had a range of 0.01–84 mg/L, a mean of 20 mg/L and a medium of 14 mg/L. Only two of the 52 samples exceeded the WHO guideline values of 50 mg/L for infant methaemoglobinaemia. The hazard quotient values as evaluated against the WHO guideline value at the 50 and 95 percentile points were HQ50 at 0.42 and HQ95 at 1.2, respectively. These indicated a low risk of infant methaemoglobinaemia for the whole population, but some risk for the sensitive portion of the population. The HQ50 and HQ95 values based on WHO acceptable daily intake dose for adult male and female were 0.35 and 1.0, respectively, indicating a generally a low level of risk. A risk characterisation linking birth defects to nitrate levels in water consumed during the first three months of pregnancy resulted in a HQ50/50 values of 1.5 and a HQ95/5 value of 65. These HQ values indicated an elevated risk for birth defects, in particular for the more sensitive population. A sanitation improvement program in the study area had a positive effect in reducing nitrate levels in wells and the corresponding risk for public health. For example, the birth defect HQ50/50 values for a subset of wells surveyed in both 2014 and 2015 was reduced from 1.1 to 0.71.

This study aimed to apply an inverse-dispersion calculation method (IDM) to estimate the emission rate of volatile organic compounds (VOCs) for the complicated industrial area sources, through a case study on a petroleum refinery in Northern China. The IDM was composed of on-site monitoring of ambient VOCs concentrations and meteorological parameters around the source, calculation of the relationship coefficient γ between the source's emission rate and the ambient VOCs concentration by the ISC3 model, and estimation of the actual VOCs emission rate from the source. Targeting the studied refinery, 10 tests and 8 tests were respectively conducted in March and in June of 2014. The monitoring showed large differences in VOCs concentrations between background and downwind receptors, reaching 59.7 ppbv in March and 248.6 ppbv in June, on average. The VOCs increases at receptors mainly consisted of ethane (3.1%–22.6%), propane (3.8%–11.3%), isobutane (8.5%–10.2%), n-butane (9.9%–13.2%), isopentane (6.1%–12.9%), n-pentane (5.1%–9.7%), propylene (6.1–11.1%) and 1-butylene (1.6%–5.4%). The chemical composition of the VOCs increases in this field monitoring was similar to that of VOCs emissions from China's refineries reported, which revealed that the ambient VOCs increases were predominantly contributed by this refinery. So, we used the ISC3 model to create the relationship coefficient γ for each receptor of each test. In result, the monthly VOCs emissions from this refinery were calculated to be 183.5 ± 89.0 ton in March and 538.3 ± 281.0 ton in June. The estimate in June was greatly higher than in March, chiefly because the higher environmental temperature in summer produced more VOCs emissions from evaporation and fugitive process of the refinery. Finally, the VOCs emission factors (g VOCs/kg crude oil refined) of 0.73 ± 0.34 (in March) and 2.15 ± 1.12 (in June) were deduced for this refinery, being in the same order with previous direct-measurement results (1.08–2.65 g VOCs/kg crude oil refined).An inverse-dispersion calculation method was applied to estimate VOCs emission rate for a petroleum refinery, being 183.5 ton/month (March) and 538.3 ton/month (June).

Biochar is a porous carbonaceous material with high alkalinity and rich minerals, making it possible for CO2 capture. In this study, biochars derived from pig manure, sewage sludge, and wheat straw were evaluated for their CO2 sorption behavior. All three biochars showed high sorption abilities for CO2, with the maximum capacities reaching 18.2–34.4 mg g−1 at 25 °C. Elevating sorption temperature and moisture content promoted the transition of CO2 uptake from physical to chemical process. Mineral components such as Mg, Ca, Fe, K, etc. in biochar induced the chemical sorption of CO2 via the mineralogical reactions which occupied 17.7%–50.9% of the total sorption. FeOOH in sewage sludge biochar was transformed by sorbed CO2 into Fe(OH)2CO3, while the sorbed CO2 in pig manure biochar was precipitated as K2Ca(CO3)2 and CaMg(CO3)2, which resulted in a dominant increase of insoluble inorganic carbon in both biochars. For wheat straw biochar, sorbed CO2 induced CaCO3 transformed into soluble Ca(HCO3)2, which led to a dominant increase of soluble inorganic carbons. The results obtained from this study demonstrated that biochar as a unique carbonaceous material could distinctly be a promising sorbent for CO2 capture in which chemical sorption induced by mineralogical reactions played an important role.

Surface and building runoff can significantly contribute to the total metal loading in urban runoff waters, with potential adverse effects on the receiving ecosystems. The present paper analyses the corrosion-induced metal dissolution (Fe, Mn, Cr, Ni, Cu) from weathering steel (Cor-Ten A) with or without artificial patinas, exposed for 3 years in unsheltered conditions at a marine urban site (Rimini, Italy). The influence of environmental parameters, atmospheric pollutants and surface finish on the release of dissolved metals in rain was evaluated, also by means of multivariate analysis (two-way and three-way Principal Component Analysis). In addition, surface and cross-section investigations were performed so as to monitor the patina evolution. The contribution provided by weathering steel runoff to the dissolved Fe, Mn and Ni loading at local level is not negligible and pre-patination treatments seem to worsen the performance of weathering steel in term of metal release. Metal dissolution is strongly affected by extreme events and shows seasonal variations, with different influence of seasonal parameters on the behaviour of bare or artificially patinated steel, suggesting that climate changes could significantly influence metal release from this alloy. Therefore, it is essential to perform a long-term monitoring of the performance, the durability and the environmental impact of weathering steel.

The second‒order rate constants (k) of hydroxyl radical (·OH) with polychlorinated biphenyls (PCBs) in the gas phase are of scientific and regulatory importance for assessing their global distribution and fate in the atmosphere. Due to the limited number of measured k values, there is a need to model the k values for unknown PCBs congeners. In the present study, we developed a quantitative structure–activity relationship (QSAR) model with quantum chemical descriptors using a sequential approach, including correlation analysis, principal component analysis, multi−linear regression, validation, and estimation of applicability domain. The result indicates that the single descriptor, polarizability (α), plays an important role in determining the reactivity with a global standardized function of lnk = −0.054 × α ‒ 19.49 at 298 K. In order to validate the QSAR predicted k values and expand the current k value database for PCBs congeners, an independent method, density functional theory (DFT), was employed to calculate the kinetics and thermodynamics of the gas‒phase ·OH oxidation of 2,4′,5-trichlorobiphenyl (PCB31), 2,2′,4,4′-tetrachlorobiphenyl (PCB47), 2,3,4,5,6-pentachlorobiphenyl (PCB116), 3,3′,4,4′,5,5′-hexachlorobiphenyl (PCB169), and 2,3,3′,4,5,5′,6-heptachlorobiphenyl (PCB192) at 298 K at B3LYP/6–311++G**//B3LYP/6–31 + G** level of theory. The QSAR predicted and DFT calculated k values for ·OH oxidation of these PCB congeners exhibit excellent agreement with the experimental k values, indicating the robustness and predictive power of the single–descriptor based QSAR model we developed.

Substantial epidemiological evidence has consistently reported that fine particulate matter (PM2.5) is associated with an increased risk of cardiovascular outcomes. PM2.5 is a complex mixture of extremely small particles and liquid droplets composed of multiple components, and there has been high interest in identifying the specific health-relevant physical and/or chemical toxic constituents of PM2.5. In the present study, we analyzed 8 heavy metals (Cr, Ni, Cu, Cd, Pb, Zn, Mn and Co) in the PM2.5 collected during four different seasons in Taiyuan, a typical coal-burning city in northern China. Our results indicated that total concentrations of the 8 heavy metals differed among the seasons. Zn and Pb, which are primarily derived from the anthropogenic source, coal burning, were the dominant elements, and high concentrations of these two elements were observed during the spring and winter. To clarify whether these heavy metals in the locally collected PM2.5 were associated with health effects, we conducted health risk assessments using validated methods. Interestingly, Pb was responsible for greater potential health risks to children. Because cardiovascular disease (CVD) is a main contributor to the mortality associated with PM2.5 exposure, we performed experimental assays to evaluate the myocardial toxicity. Our in vitro experiments showed that the heavy metal-containing PM2.5 induced season-dependent apoptosis in rat H9C2 cells through a reactive oxygen species (ROS)-mediated inflammatory response. Our findings suggested that heavy metals bound to PM2.5 produced by coal burning play an important role in myocardial toxicity and contribute to season-dependent health risks.

Commercial insect repellents like DEET (N,N-diethyl-m-toluamide), EBAAP (IR3535®, (3-[N-butyl-N-acetyl]-aminopropionic acid, ethyl ester)) or Icaridine (picaridin, Bayrepel, 1-piperidinecarboxylic acid, 2-(2-hydroxyethyl), 1-methylpropyl ester) are used worldwide to protect against biting insects and ticks. The detection of these repellents in surface waters in concentrations up to several μg/L levels has caused concern that these substances might affect non-target organisms in freshwaters. Daphnia sp., a keystone organism in lakes and ponds, is known for diel vertical migration (DVM) and life-history changes (LHCs) as inducible defenses against predation by fish. Here we test whether (i) environmentally relevant concentrations of DEET, EBAPP or Icaridine have repellent effects on Daphnia magna and (ii) if these repellents are infodisruptors for DVM and LHCs. Using concentrations of up to 44 μg/L, the repellents neither had effects on juvenile somatic growth nor on clutch size. In thermally stratified water columns with a repellent-free hypolimnion, no repellent effects of the test compounds on D. magna were observed. The presence of fish-born infochemicals induced LHCs, which are characterized by a reduced size at first reproduction, and DVM in D. magna. These effects were not affected by the presence of either repellent. Hence no evidences for infodisruption of the chemical communication of fish and Daphnia by DEET, EBAAP or Icaridine were found.