Based on the bond order, fukui indices and other related descriptors, as well as temperature, a new QSAR model was established to predict the rate constant (kO₃) of VOCs degradation by O₃. 302 logkO₃ values (178–409 K) of 149 VOCs were divided into training set (242 logkO₃) and test set (60 logkO₃), respectively, which were used to construct and verify the QSAR model. The optimal model (R² = 0.83, q² = 0.82, Qₑₓₜ² = 0.72) shows that EHOMO, BOₓ and q(C⁻)ₙ have a greater influence on the value of logkO₃. In addition, fukui indices and logkO₃ are well correlated. The applicability domains of the current models can be used to predict kO₃ of a wide range of VOCs at different temperatures.

Knowledge of the toxic potential of polycyclic aromatic hydrocarbons (PAHs) has increased over time. Much of this knowledge is about the 16 United States - Environmental Protection Agency (US - EPA) priority PAHs; however, there are other US – EPA non-priority PAHs in the environment, whose toxic potential is underestimated. We conducted a systematic review of in vitro, in vivo, and in silico studies to assess the genotoxicity, mutagenicity, and carcinogenicity of 13 US - EPA non-priority parental PAHs present in the environment. Electronic databases, such as Science Direct, PubMed, Scopus, Google Scholar, and Web of Science, were used to search for research with selected terms without time restrictions. After analysis, following the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) protocol, 249 articles, published between 1946 and 2020, were selected and the quality assessment of these studies was performed. The results showed that 5-methylchrysene (5-MC), 7,12-dimethylbenz[a]anthracene (7,12-DMBA), cyclopenta[cd]pyrene (CPP), and dibenzo[al]pyrene (Db[al]P) were the most studied PAHs. Moreover, 5-MC, 7,12-DMBA, benz[j]aceanthrylene (B[j]A), CPP, anthanthrene (ANT), dibenzo[ae]pyrene (Db[ae]P), and Db[al]P have been reported to cause mutagenic effects and have been being associated with a risk of carcinogenicity. Retene (RET) and benzo[c]fluorene (B[c]F), the least studied compounds, showed evidence of a strong influence on the mutagenicity and carcinogenicity endpoints. Overall, this systematic review provided evidence of the genotoxic, mutagenic, and carcinogenic endpoints of US - EPA non-priority PAHs. However, further studies are needed to improve the future protocols of environmental analysis and risk assessment in severely exposed populations.

Chemicals such as triclosan are a concern because of their presence on daily products (soap, deodorant, hand sanitizers …), consequently this compound has an ubiquitous presence in the environment. Little is known about the effect of this bactericide on aquatic life. The aim of this study is to analyze triclosan exposure (24 h) to an in vitro model, zebrafish hepatocytes cell line (ZF-L), if it can be cytotoxic (mitochondrial activity, membrane stability and apoptosis) and if can activate ATP-binding cassette (ABC) proteins (activity, expression and protein/compound affinity). Triclosan was cytotoxic to hepatocytes when exposed to concentrations (1–4 mg/L). The results showed impaired mitochondria function, as well, plasma membrane rupture and an increase of apoptotic cells. We observed an ABC proteins activity inhibition in cells exposed to 0.5 and 1 mg/L. When ABCBs and ABCC2 proteins expression were analyzed, there was an increase of protein expression in both ABC proteins families on cells exposed to 1 mg/L of triclosan. On molecular docking results, triclosan and the fluorescent used as substrate (rhodamine) presented high affinity with all ABC proteins family tested, showing a greater affinity with ABCC2. In conclusion, this study showed that triclosan can be cytotoxic to ZF-L. Molecular docking indicated high affinity between triclosan and the tested pumps.

Rice paddies are one of the largest greenhouse gases (GHGs) facilitators that are predominantly regulated by nitrogen (N) fertilization. Optimization of N uses based on the yield has been tried a long since, however, the improvement of the state-of-the-art technologies and the stiffness of global warming need to readjust N rate. Albeit, few individual studies started to, herein attempted as a systematic review to generalize the optimal N rate that minimizes global warming potential (GWP) concurrently provides sufficient yield in the rice system. To satisfy mounted food demand with inadequate land & less environmental impact, GHGs emissions are increasingly evaluated as yield-scaled basis. This systematic review (20 published studies consisting of 21 study sites and 190 observations) aimed to test the hypothesis that the lowest yield-scaled GWP would provide the minimum GWP of CH₄ and N₂O emissions from rice system at near optimal yields. Results revealed that there was a strong polynomial quadratic relationship between CH₄ emissions and N rate and strong positive correlation between N₂O emissions and N rate. Compared to control the low N dose emitted less (23%) CH₄ whereas high N dose emitted higher (63%) CH₄ emission. The highest N₂O emission observed at moderated N level. In total GWP, about 96% and 4%, GHG was emitted as CH₄ and N₂O, respectively. The mean GWP of CH₄ and N₂O emissions from rice was 5758 kg CO₂ eq ha⁻¹. The least yield-scaled GWP (0.7565 (kg CO₂ eq. ha⁻¹)) was recorded at 190 kg N ha⁻¹ that provided the near utmost yield. This dose could be a suitable dose in midseason drainage managed rice systems especially in tropical and subtropical climatic conditions. This yield-scaled GWP supports the concept of win–win for food security and environmental aspects through balancing between viable rice productivity and maintaining convincing greenhouse gases.

Endocrine disrupting chemicals (EDCs) have gradually become a global health hazard in recent decades. Gut microbiota (GM) provides a crucial interface between the environment and the human body. A triad relationship may exist between EDCs exposure, host phenotypic background, and GM effects. In this review, we attempted to parse out the contribution of GM on the alteration of host phenotypic responses induced by EDCs, suggesting that GM intervention may be used as a therapeutic strategy to limit the expansion of pathogen. These studies can increase the understanding of pathogenic mechanisms, and help to identify the modifiable environmental factors and microbiota characteristics in people with underlying disease susceptibility for prevention and remediation.

Severe fine particulate matter (PM₂.₅) pollution and the associated health risks remain pressing issues in the Yangtze River Delta (YRD), although significant efforts have been made locally, such as the Clean Air Action since 2013. Regional transport is an important contributor to high PM₂.₅ levels during haze episodes in the YRD, but its impact on human health is rarely analyzed. In this study, we evaluate the short-term PM₂.₅-related health risks and associated economic losses due to different source regions by estimating daily mortality based on model results in the YRD. The results show that regional transport induces significant health risks in the YRD during haze days, contributing over 60% of daily premature mortality in Shanghai and Nanjing (major cities in the YRD). Moreover, in Hangzhou and Jiaxing, regional transport’s contribution can be as high as 70%. The total daily mean economic loss in the YRD is estimated as 526.8 million Chinese Yuan (approximately 81.4 million U.S. dollar) in winter of 2015 and 2016, accounting for 1.4% of the daily averaged gross domestic product (GDP) of the YRD. Emission control (in accordance with the 13th Five-year Energy Conservation and Emission Reduction Plan) is an effective way to reduce health risks in the YRD, reducing premature deaths during haze days by 12–33%. More stringent emission control measures are suggested for further reduce PM₂.₅-related health risks.

Cadmium (Cd) pollution in the environment could cause toxic damage to animals and humans. MAPK pathways could regulate their downstream inflammatory factors, and plays a crucial role in necrosis. Since the swine kidney tissue is an important accumulation site of Cd and target organ of its toxic damage, but the damage form of Cd to swine kidney and the role of MAPK pathways in it are still not clear, we selected six week old weaned piglets as the research object, and fed a diet supplemented CdCl₂ (20 mg/kg) to establish the model of liver injury induced by Cd. The expressions and phosphorylation of MAPK pathways (ERK, JNK, p38), expression levels of inflammatory factors (TNF-α, NF-κB, iNOS, COX-2 and PTGE) and necrosis related genes (MLKL, RIPK1, RIPK3 and FADD) and heat shock proteins (HSPs) were detected by RT-PCR and Western blot. H.E. staining was used to determine the damage of kidney caused by Cd exposure. The results showed that Cd exposure could activate p38 and JNK pathway phosphorylation, rather than ERK 1/2, up regulated the expressions of inflammatory factors, finally induced programmed necrosis (increasing the expressions of MLKL, RIPK1, RIPK3 and FADD) in swine kidney. Our study elucidated the mechanism of Cd-damage to swine kidney and the relationship among MAPK pathways, inflammatory factors and programmed necrosis in swine.

Absorption is an eminent technology for volatile organic compounds (VOCs) elimination with the merits of high efficiency and low cost. Absorbent plays a critical role in the absorption process, and the thermal stability, saturation capacity, and regeneration performance should be concerned. As a kind of green and eco-friendly solvent, ionic liquid (IL) is expected to be a substitute for the conventional VOCs absorbent. In this study, 1-butyl-3-methylimidazolium hexafluorophosphate ([Bmim][PF₆]) is employed to absorb the modeling VOCs (toluene and acetone). Moreover, the used [Bmim][PF₆] is recovered by thermal distillation and the reusability is then conducted by consecutive batch experiments. Based on that, the thermal stability of [Bmim][PF₆] is comprehensively examined, in which the kinetic and thermodynamic parameters are also calculated. Results reveal that [Bmim][PF₆] owned promising toluene absorption performance with inlet concentration of 3000 mg/m³ and flow rate of 300 mL/min at 20 °C, it possesses the saturated adsorption capacity of 5.16 mg/g. [Bmim][PF₆] also shows satisfying thermal stability up to 610 K. In addition, thermal distillation is proved to be a reliable regeneration route on account of the recovered [Bmim][PF₆] remained satisfying capacity even after five cycles.

Glyphosate-based herbicide (GBH) is the most widely used herbicide worldwide and has long been considered to have significantly low toxicity to non-target soil invertebrates based on short-term toxicity tests (<56 d). However, long-term GBH toxicity assessment is necessary as GBH is repeatedly applied in the same field annually because of the advent of glyphosate-resistant crops. In this study, a multigeneration test was conducted where Allonychiurus kimi (Collembola) was exposed to GBH for three generations (referred to as F₀, F₁, and F₂) to evaluate the long-term toxic effect. The endpoints used were adult survival and juvenile production for the individual level toxicity assessment. Phospholipid profile and population age structure were the endpoints used for sub-individual and population levels, respectively. GBH was observed to have no negative effects on adult survivals of all generations, but juvenile production was found to decrease in a concentration-dependent manner, with EC₅₀s being estimated as 572.5, 274.8, and 59.8 mg a.i. kg⁻¹ in the F₀, F₁, and F₂ generations, respectively. The age structure of A. kimi population produced in the test of all generations was altered by GBH exposure, mainly because of the decrease in the number of young juveniles. Further, differences between the phospholipid profiles of the control and GBH treatments became apparent over generations, with PA 16:0, PA 12:0, and PS 42:0 lipids not being detected at the highest concentration of 741 mg kg⁻¹ in F₂. Considering all our findings from sub-individual to population levels, repeated and long-term use of GBH could have significantly higher negative impacts on non-target soil organisms than expected.

Soil contaminated with toxic heavy metals (THMs) was stabilized by adding a combination of waste resources in 7.0 wt%, including coal-mine drainage sludge, waste cow bone, and steelmaking slag, in the ratio of 5:35:60. Subsequently, corn and peanut were cultivated in treated soil to investigate the effects of the waste resources on THM mobility in soil and translocation to plants. Sequential extraction procedures (SEP) was used to analyze mobile phase THMs which could be accumulated in the plants. SEP shows that mobile Pb, Cd, Cu, Zn, Ni, Cr, and As were reduced by 8.48%, 29.22%, 18.85%, 21.66%, 4.58%, 62.78%, and 20.01%, respectively. The bioaccumulation of THMs was clearly hindered by stabilization; however, the increment in the amount of immobile-phase THMs and change in the amount of translocated THMs was not proportional. The corn grains grown above the soil surface were compared with the peanut grains grown beneath the soil surface, and the results indicating that the efficiency of stabilization on THM translocation may not depend on the contact of grain to soil but the nature of plant. Interestingly, the results of bioaccumulation with and without stabilization showed that the movement of some THMs inside the plants was affected by stabilization.