Structural analogues of bisphenol A (BPA) have become widely used as alternatives in BPA-free products. Most toxicological investigations have focused on the estrogenic activities of these analogues, which have been considered as potential environmental estrogens. However, recent studies revealed that certain BPA analogues could dramatically inhibit the proliferation of breast cancer cells, and exhibited strong anti-estrogenic effects compared with the antagonist 4-hydroxytamoxifen (OHT). Thus, we adopted computational models combining molecular dynamics simulations and binding free energy calculations to explore the underlying molecular basis of BPA analogues binding to estrogen receptor α (ERα). We also evaluated ligand-induced structural rearrangements of ERα at the atomic level. Conformational analyses showed that induced-fit H-bonding recognition by Thr347 was an important factor distinguishing antagonist from agonist BPA analogues. Moreover, antagonists of BPA analogues could indirectly induce the structural reposition of key helix 12 and produce an antagonistic conformation of ERα. Compared with OHT, the binding affinity of BPA analogues is stronger for antagonists than agonists. Taken together, we therefore propose computational indicators for screening of anti-estrogenic activities of BPA analogues, which may be beneficial for predicting the estrogenic or anti-estrogenic effects of BPA alternatives.

Increasing interest of seeking substitutable water resources accrues from shortage of freshwater. One of the options considered is reclaimed water (also designated as recycled water) that has been widely used in daily life. Although reclaimed water can serve as a feasible reliever of water pressure, attention about its technologies and potential risks is growing in the meantime. Most established wastewater treatment plants (WWTPs) predate many new contaminants, which means treatment processes cannot ensure to dislodge certain contaminants completely from origin water. Furthermore, a wide range of factors, such as seasons and influent variations, affect occurrence and concentration of reclaimed water-borne contaminants, making research about quality of reclaimed water especially significant. Many reclaimed water-borne contaminants, including biological and chemical contaminants, are toxic to human health, and complex wastewater matrix may aggravate water quality of concern. The widespread use of reclaimed water continues to be a concern on agriculture, ecological environment and human health. This study aims to: 1) provide a critical review about occurrence and profiles of diverse contaminants in the treated reclaimed water, 2) discuss the possibility to avoid the secondary pollution in reuse of reclaimed water, and 3) reveal the prospective consequences of using reclaimed water on agriculture, ecological environment and human health.

Tebuconazole is a widely used fungicide that has been detected in water ecosystems, of which the concentrations may affect the endocrine function of aquatic organisms. At present study, tissue-specific bioaccumulation of tebuconazole was found in ovary of adult zebrafish, indicating a potential risk of endocrine disruption. In order to evaluate the potential endocrine disrupting effects, three life stages (2 hpf (hours post-fertilization) −60 dpf (days post-fertilization), Stage I; 60–120 dpf, Stage II; 180–208 dpf, Stage III) of zebrafish (Danio rerio) were chronically exposed to tebuconazole at the concentrations ranging from 0.05 mg/L to 1.84 mg/L. Result showed that exposed to tebuconazole could lead to a male-biased sex differentiation in juvenile zebrafish and significant decrease of the percentage of germ cells in sexually-mature zebrafish. Egg production was significantly inhibited by 57.8% and 19.2% after Stage II- and Stage III-exposures, respectively. The contents of 17β-estradiol in gonad decreased by 63.5% when exposed to 0.20 mg/L tebuconazole at Stage II and by 49.5% after exposed to 0.18 mg/L tebuconazole at Stage III, respectively. For all stages exposure, reductions in 17β-estradiol/testosterone ratio were observed, indicating an imbalance in steroids synthesis. Additionally, tebuconazole reduced the expression of cyp19a, which was consistent with the decrease of E2 level. In overall, the present findings indicated that, playing as an anti-estrogen-like chemical, tebuconazole inhibited the expression of Cyp19, thereby impairing steroid hormones biosynthesis, leading to a diminished fecundity of zebrafish.

Methane is a potent greenhouse gas whose atmospheric dispersion may have different implications at distinct scales. One significant contributor to methane emissions is sugarcane farming in tropical areas like in Mexico, which has the sixth highest production level in the world. A consequence of the industrial use of this resource is that sugarcane preharvest burning emits large quantities of methane and other pollutants. The objective of this research is to estimate the methane emissions by sugarcane burning and to analyze their atmospheric dispersion under the influence of meteorological parameters, according to different concentration scenarios generated during a period. The methane emissions were investigated using the methodology of Seiler and Crutzen, based on the stage production during the harvest periods of 2011/2012, 2012/2013 and 2013/2014. Average of total emissions (1.4 × 103 Mg) at the national level was comparable in magnitude to those of other relevant sugarcane-producing countries such as India and Brazil. Satellite images and statistical methods were used to validate the spatial distribution of methane, which was obtained with the WRF model. The results show a dominant wind circulation pattern toward the east in the San Luis Potosi area, to the west in Jalisco, and the north in Tabasco. In the first two areas, wind convergence at a certain height causes a downward flow, preventing methane dispersion. The concentrations in these areas varied from 9.22 × 10−5 to 1.22 × 102 ppmv and 32 × 10−5 to 2.36 × 102 ppmv, respectively. Wind conditions in Tabasco contributed to high dispersion and low concentrations of methane, varying from 8.74 × 105 to 0.33 × 102 ppmv. Methane is a potent greenhouse gas for which it is essential to study and understand their dispersion at different geographic locations and atmospheric conditions.

Propyl gallate (propyl 3,4,5-trihydroxybenzoate, PG) is a phenolic antioxidant that has been used for oil-containing foods to prevent acidification. Owing to its antioxidant properties, PG has been applied to various fields and active research is currently underway to prove PG as an anticancer agent. However, there are still concerns about PG as a possible reproductive toxicant. Therefore, we determined whether PG induced male infertility. Our results indicated that PG induced testicular dysfunction in both Leydig and Sertoli cells via suppression of cell viability and steroidogenesis. These normal testis functions were destroyed by PG-induced mitochondrial dysfunction and calcium homeostasis dysregulation. In addition, PG disrupted the expression of several genes associated with the testis function and induced endoplasmic reticulum stress. Furthermore, we verified PG-induced mRNA expression changes in steroidogenesis enzymes and hormone receptors in vitro and in vivo. From the results of the qPCR analysis, we further confirmed the PG-mediated reduction in the mRNA expression of genes related to testis functions by in situ hybridization. Finally, we demonstrated that PG induced testicular toxicity via the disruption of mitochondrial or ER function and the inhibition of testicular development-related genes in mice.

Contamination by plastic debris has been documented in most regions of the world, but their occurrence in high mountain areas has not been investigated to date. Here we present the first report of the occurrence and amount of microplastic in any terrestrial glacier environment. In the supraglacial debris of the Forni Glacier (Italian Alps), we observed the occurrence of (mean ± standard error) 74.4 ± 28.3 items kg⁻¹ of sediment (dry weight). This amount is within the range of variability of microplastic contamination observed in marine and coastal sediments in Europe. Most plastic items were made by polyesters, followed by polyamide, polyethylene and polypropylene. We estimated that the whole ablation area of Forni Glacier should host 131–162 million plastic items. Microplastic can be released directly into high elevation areas by human activities in the mountain or be transported by wind to high altitude. The occurrence of microplastic on Forni Glacier may be due to the gathering of debris coming from the large accumulation area into the relatively smaller ablation area of the glacier, as a consequence of its flow and melting.

Marine mammals in the Barents Sea region have among the highest levels of contaminants recorded in the Arctic and the Atlantic walrus (Odobenus rosmarus rosmarus) is one of the most contaminated species within this region. We therefore investigated the relationships bewteen blubber concentrations of lipophilic persistent organic pollutants (POPs) and plasma concentrations of perfluoroalkyl substances (PFASs) and markers of endocrine and immune functions in adult male Atlantic walruses (n = 38) from Svalbard, Norway. To do so, we assessed plasma concentrations of five forms of thyroid hormones and transcript levels of genes related to the endocrine and immune systems as endpoints; transcript levels of seven genes in blubber and 23 genes in blood cells were studied. Results indicated that plasma total thyroxine (TT4) concentrations and ratio of TT4 and reverse triiodothyronine decreased with increasing blubber concentrations of lipophilic POPs. Blood cell transcript levels of genes involved in the function of T and B cells (FC like receptors 2 and 5, cytotoxic T-lymphocyte associated protein 4 and protein tyrosine phosphatase non-receptor type 22) were increased with plasma PFAS concentrations. These results suggest that changes in thyroid and immune systems in adult male walruses are linked to current levels of contaminant exposure.

Microcystin (MC) elimination is a global challenge that is necessary for the health of humans and ecosystems. Biodegradation of MC, one of the most environmental-friendly methods, had previously been focused on the aerobic condition. In this study, two enrichment cultures from Taihu sediments possessed high capacity for MC-leucine arginine (MC-LR) anaerobic biodegradation. Meanwhile, it was firstly found that MC-LR underwent similar degradation process under anaerobic conditions to that in aerobic condition. Furthermore, a novel degradation pathway, hydrolyzing of Ala-Mdha to form a new linear MC-LR intermediate, was proposed under anaerobic conditions. Combining MC-LR degradation with microbial community analysis, this study deduced that Candidatus Cloacamonas acidaminovorans str. Evry may play an important role in the degradation of MC-LR. These findings suggest an additional pathway involved in the environmental cycle of MC-LR, which implies that the biotransformation of MC-LR might play an important role in eliminating MC-LR in eutrophic lake sediments under anaerobic conditions.

The capacity of biochar to take up heavy metals from contaminated soil and water is influenced by the pyrolysis temperature. We have prepared three biochar samples from Jerusalem artichoke stalks (JAS) by pyrolysis at 300, 500 and 700 °C, denoted as JAS300, JAS500, and JAS700, respectively. A variety of synchrotron-based techniques were used to assess the effect of pyrolysis temperature on the molecular properties and copper (Cu) sorption capacity of the samples. The content of oxygen-containing functional groups in the biochar samples decreased, while that of aromatic structures and alkaline mineral components increased, with a rise in pyrolysis temperature. Scanning transmission X-ray microscopy indicated that sorbed Cu(II) was partially reduced to Cu(I), but this process was more evident with JAS300 and JAS700 than with JAS500. Carbon K-edge X-ray absorption near edge structure spectroscopy indicated that Cu(II) cations were sorbed to biochar via complexation and Cu-π bonding. With rising pyrolysis temperature, Cu(II)-complexation weakened while Cu-π bonding was enhanced. In addition, the relatively high ash content and pH of JAS500 and JAS700 facilitated Cu precipitation and the formation of langite on the surface of biochar. The results of this investigation will aid the conversion of halophyte waste to useable biochar for the effective remediation of Cu-contaminated soil and water.