Silver nanoparticles (AgNPs) are used in many industries for multiple applications that inevitably release AgNPs into surface water sources. The formation kinetics of disinfection by-products (DBPs) in the presence of AgNPs was investigated during chlorination. Experiments were carried out with raw water from a canal in Songkhla, Thailand, which analyzed the formation potential (FP) of trihalomethanes FP (THMFP), iodo-trihalomethanes FP (I-THMFP), haloacetonitriles FP (HANFP), and trichloronitromethane FP. Increased AgNP concentrations by 10–20 mg/L led to a higher specific formation rate of chloroform which is described by zero- and first-order kinetics. The increase in the specific formation of chloroform as increasing chlorine contact time could enhance both the THMFP rates and the maximum THMFP concentrations in all tested AgNPs. The AgNP content did not have a significant influence on I-THMFP and HANFP concentrations or speciation. The I-THMFP and HANFP increased in a short-chlorination time as mostly complete formation <12 h, and then the rate decreased as the reaction proceeded. The levels of THMs and many emerging DBPs are related to the presence of AgNPs in chlorinated water and chlorine reaction time. THMFP had a higher impact on integrated toxic risk value (ITRV) than I-THMFP and HANFP because of the chlorination of water with AgNPs. The chlorine reaction time was more effective for increasing the ITRV of THMFP than the level of AgNPs. Water treatment plants should control the DBPs that cause possible health risks from water consumption by optimizing water distribution time.

Multiphase chemistry of chlorine is coupled into a 3D regional air quality model (CMAQv5.0.1) to investigate the impacts on the atmospheric oxidation capacity, ozone (O₃), as well as fine particulate matter (PM₂.₅) and its major components over the Yangtze River Delta (YRD) region. The developed model has significantly improved the simulated hydrochloric acid (HCl), particulate chloride (PCl), and hydroxyl (OH) and hydroperoxyl (HO₂) radicals. O₃ is enhanced in the high chlorine emission regions by up to 4% and depleted in the rest of the region. PM₂.₅ is enhanced by 2–6%, mostly due to the increases in PCl, ammonium, organic aerosols, and sulfate. Nitrate exhibits inhomogeneous variations, by up to 8% increase in Shanghai and 2–5% decrease in most of the domain. Radicals show different responses to the inclusion of the multiphase chlorine chemistry during the daytime and nighttime. Both OH and HO₂ are increased throughout the day, while nitrate radicals (NO₃) and organic peroxy radicals (RO₂) show an opposite pattern during the daytime and nighttime. Higher HCl and PCl emissions can further enhance the atmospheric oxidation capacity, O₃, and PM₂.₅. Therefore, the anthropogenic chlorine emission inventory must be carefully evaluated and constrained.

This study demonstrated that nitrogen-doped carbon materials (NCMs) could effectively catalyze the chlorine elimination process in hexachloroethane (HCA) declorination in sulfide-containing environments for the first time. The kₒbₛ values of HCA dechlorination by sulfide in the presence of 10 mg/L NCMs were higher than that of no mediator at pH 7.3 by one or two orders of magnitude. The catalytic capabilities of NCMs on HCA dechlorination were evident in common ranges of natural pH (5.3–8.9) and it could be accelerated by the increase of pH but be suppressed by the presence of dissolved humic acid. Moreover, NCMs exhibited much better catalytic capability on HCA dechlorination compared to the carbon materials, mainly owing to the combined contributions of pyridine N, including enhanced nucleophilic attack to HCA molecule by generating newborn C–S–S and activation of HCA molecule by elongating C–Cl bonds. The functions of pyridine N in micron-sized NCMs with mesopores were better than in nano-sized NCMs on HCA dechlorination. These findings displayed the potential of NCMs, when released into sulfide-containing environments, may significantly increase the dechlorination of chlorinated aliphatic hydrocarbons.

Pollutants in real aquatic systems commonly occur as chemical mixtures. Yet, the corresponding risk assessment is still mostly based on information on single-pollutant toxicity, accepting the assumption that pollutant mixtures exhibit additive toxicity effect which is often not the case. Therefore, it is still better to use the experimental approach. Unfortunately, experimental determination of toxicity for each mixture is practically unfeasible. In this study, quantitative structure-activity relationship (QSAR) models for the prediction of toxicity of binary mixtures towards bioluminescent bacteria Vibrio fischeri were developed at three toxicity levels (EC₁₀, EC₃₀ and EC₅₀). For model development, experimentally determined toxicity values of 14 pollutants (pharmaceuticals and pesticides) were correlated with their structural features, applying multiple linear regression together with genetic algorithm. Statistical analysis, internal validation and external validation of the models were carried out. The toxicity is accurately predicted by all three models. EC₃₀ and EC₅₀ values are mostly influenced by geometrical distances between nitrogen and sulfur atoms. Furthermore, the simultaneous presence of oxygen and chlorine atoms in mixture can induce the increase in toxicity. At lower effect levels (EC₁₀), nitrogen atom bonded to different groups has the highest impact on mixture toxicity. Thus, the analysis of the descriptors involved in the developed models can give insight into toxic mechanisms of the binary systems.

This study reports on concentrations of short- and medium-chain chlorinated paraffins (SCCPs and MCCPs, respectively) in a wide range of food samples (n = 211) purchased in Belgium during 2020. Samples were analysed by gas chromatography-mass spectrometry (GC-MS) and quantified using chlorine content calibration. ∑SCCPs were present above LOQ in 25% of samples with an overall range of <LOQ to 58 ng/g wet weight (ww), while ∑MCCPs were identified in 66% of samples ranging from <LOQ to 250 ng/g ww. ∑MCCP concentrations were greater than those of ∑SCCPs in all 48 samples in which both groups were detected with an average ∑MCCP/∑SCCP ratio of 5.8 (ranging from 1.3 to 81). In general, the greatest CP concentrations were observed in foods classified as animal and vegetable fats and oils and sugar and confectionary for both SCCPs and MCCPs. Significant correlations between lipid content in food samples and CP levels illustrated the role of lipids in accumulating CPs within foodstuffs, while industrial processing, food packaging and environmental conditions are each likely to contribute to overall CP loads. Selected samples (n = 20) were further analysed by liquid chromatography-high resolution MS (LC-HRMS) to investigate homologue profiles and the occurrence of long-chain CPs (LCCPs). LCCPs were detected in 35% of the 20 subset samples while the HRMS results for SCCPs and MCCPs matched closely with those obtained by GC-MS. This study reveals the widespread occurrence of SCCPs and MCCPs in Belgian food and indicates that LCCPs may represent a substantial contribution to overall CP levels in foodstuffs.

Disinfection means the killing of pathogenic organisms (e.g. bacteria and its spores, viruses, protozoa and their cysts, worms, and larvae) present in water to make it potable for other domestic works. The substances used in the disinfection of water are known as disinfectants. At municipal level, chlorine (Cl₂), chloramines (NH₂Cl, NHCl₂), chlorine dioxide (ClO₂), ozone (O₃) and ultraviolet (UV) radiations, are the most commonly used disinfectants. Chlorination, because of its removal efficiency and cost effectiveness, has been widely used as method of disinfection of water. But, disinfection process may add several kinds of disinfection by-products (DBPs) (∼600–700 in numbers) in the treated water such as Trihalomethanes (THM), Haloacetic acids (HAA) etc. which are detrimental to the human beings in terms of cytotoxicity, mutagenicity, teratogenicity and carcinogenicity. In water, THMs and HAAs were observed in the range from 0.138 to 458 μg/L and 0.16–136 μg/L, respectively. Thus, several regulations have been specified by world authorities like WHO, USEPA and Bureau of Indian Standard to protect human health. Some techniques have also been developed to remove the DBPs as well as their precursors from the water. The popular techniques of DBPs removals are adsorption, advance oxidation process, coagulation, membrane based filtration, combined approaches etc. The efficiency of adsorption technique was found up to 90% for DBP removal from the water.

Short-chain chlorinated paraffins (SCCPs) were added to the Stockholm Convention on Persistent Organic Pollutants (POPs) at the eighth meeting of the conference of the parties in 2017. As a consequence, increasing environmental attention and international regulation on SCCPs is expected in the future. Inhalation uptake of particulate matter (PM) was an important exposure pathway for POPs into the human body. In the present study, a total of eighty PM2.5 samples were collected in the four seasons of the year at an urban site (Shandong University, Jinan) in Shandong province to investigate the seasonal changes of SCCPs and their inhalation exposure risks to human health. The concentrations of SCCPs ranged from 9.80 to 105 ng m−3, with the mean value of 38.7 ng m−3. The highest concentrations of SCCPs were detected in winter, while the lowest concentrations were in summer. SCCPs concentrations were positively correlated with the mass concentrations of PM2.5 (r = 0.629, p < 0.01), and negatively correlated with the ambient temperature (r = −0.447, p < 0.01). The SCCPs congeners with 10 carbon atoms (C10 congeners) and 7 chlorine numbers (Cl7 congeners) were the predominant congeners, which contributed 35% and 37% of the total SCCPs contamination, respectively. The average inhalation exposure was estimated to be 1.75 × 10−4 mg kg−1 day−1 for adults, which is much lower than the “no observed adverse effect level” (NOAEL) of 100 mg kg−1 day−1 given by European risk assessment for SCCPs.

A comprehensive spatio-vertical survey of short-chain (SCCPs, C10-13) and medium-chain (MCCPs, C14-17) chlorinated paraffins (CPs) was performed in surface and core soils from Chinese nation-wide agricultural lands in 2016, and a total of 48 congener groups were measured. The shorter carbon chain C10-11 in SCCP and C14-15 in MCCP homologue groups, and the lower chlorinated congeners (Cl5-7) for both CP groups were predominant. The ∑SCCP and ∑MCCP concentrations in surface soils ranged from 39 to 1609 ng/g and 127–1969 ng/g, dry weight (dw), respectively. The spatial distribution trend showed that SCCP congener groups with relatively low octanol-water partition coefficient (KOW) and octanol-air partition coefficient (KOA) are uniformly distributed across surface soils compared to MCCP congener groups. Significant relationships were observed between the spatial variation of SCCP concentrations and the driving factors responsible for dispersion and deposition. The distribution behavior of SCCPs and MCCPs in highland and plain surface soils showed an increasing trend of MCCP concentrations with elevation, indicating the “mountain cold-trapping effect”. Vertical distribution profile revealed similar homologue group composition patterns of SCCP and MCCP congener groups as those of surface soils. Furthermore, the penetration potential ratios (r) of chlorine and carbon atoms of CPs demonstrated that the lower chlorinated (Cl5-7) and the shorter carbon chain (C10-13) congener groups are more prone to vertical movement into deeper soil layers compared to the longer carbon chain (C14-17) and highly chlorinated (Cl8-10) congener groups.

The abundance of silver nanoparticles (AgNPs) in consumer products has led to their environmental release and therefore to concern about their impact on human health. The ingestion of AgNP-contaminated soil from urban sites is an important exposure pathway, especially for children. Given the limited information on oral bioaccessibility of soil Ag, we used a physiologically based extraction test (PBET) to evaluate the bioaccessibility of AgNPs and AgNO₃ from soil digestion. The AgNPs underwent several biochemical transformations, including their simultaneous dissolution and agglomeration in gastric fluid followed by the disintegration in the intestinal fluid of the agglomerates into NPs containing silver and chlorine. Therefore, Ag-containing soil exposed the intestine to nanoparticulate Ag in forms that were structurally different from the original forms. The bioaccessibility of AgNPs (0.5 ± 0.05%–10.9 ± 0.7%) was significantly lower than that of AgNO₃ (4.7 ± 0.6%–14.4 ± 0.1%), as a result of the lower adsorption of nanoparticles to soil residues during the digestive process. For the soils tested, the bioaccessibility of AgNPs increased with decreasing clay contents and lower pH. By identifying the soil properties that control AgNP bioaccessibility, a more efficient and accurate screening can be performed of soil types that pose the greatest health risk associated with AgNP exposure.