Polybrominated diphenyl ethers (PBDEs) have been determined in 30 samples, including soil, biota and plant collected from an electronic waste recycling site and its vicinage towns. Polychlorinated biphenyls (PCBs), polychlorinated dibenzo-p-dioxins and dibenzo-furans (PCDD/Fs) were also simultaneously analyzed in 20 samples. PBDEs were detected in all soil samples and the highest was up to 789 ng/g dry weight (dw). The toxic equivalency (TEQ) of PCBs and PCDD/Fs detected in E-waste recycling site is significant higher than those in the vicinage samples. Biota and plant were also contaminated with high level of PBDEs, PCBs and PCDD/Fs in this area. High levels of the three kinds of organic compounds in the environmental samples showed that the E-waste recycling have induced serious environmental problems.

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A two-dimensional (2D) antimicrobial nanoagent is synthesized by incorporating the titanium aminobenzenesulfanato complexes (Ti-SA4) onto black phosphorus nanosheets (BPs). The strong P–Ti coordination between Ti-SA4 and BPs results in the high loading capacity (∼43%) of Ti-SA4 onto BPs and enhances the stability of BPs against oxidation. Compared to bare BPs and Ti-SA4, the Ti-SA4@BPs exhibit improved antibacterial efficacy, and most of the bacteria are inactivated within 3 h with a dose of only 50 μg/mL. The underlying antibacterial mechanism is investigated. This proposed Ti-SA4@BPs have great potential in clinical applications, and the results provide insights into the design and synthesis of 2D antibacterial nanoagents.

Quantitative structure retention relationships (QSRRs) were developed to predict the gas chromatographic (GC) relative retention times (RRTs) for 209 polybrominated diphenyl ether (PBDE) congeners using the heuristic method included in the computer software Comprehensive Descriptors for Structural and Statistical Analysis (CODESSA). A total of 445 constitutional, topological, geometrical, electrostatic, and semi-empirical quantum chemical descriptors were derived for all PBDEs. Using experimental RRT data for 126 PBDE congeners from the literature, predictive regression models were built for seven individual GC capillary columns differing in stationary phases. Each model includes four descriptors which included Wiener index, Randic index, polarity parameter, etc., selected by CODESSA. High predictability was obtained. High multiple correlation coefficients R 2 indicated that >98.5% (except for stationary phase CP-Sil 19) of the total variation in the predicted RRTs is explained by the fitted models. The models were subsequently used to predict the RRTs of the remaining 83 PBDE congeners on seven different stationary phases. The statistical results show that, compared with others, DB-XLB column not only produces the least number of peak overlaps but also results in shorter retention times.

The pollution status of polychlorinated dibenzo-p-dioxins, dibenzofurans (PCDD/Fs) and polychlorinated biphenyls (PCBs) in the sediments of Haihe River, which is the most polluted among the seven largest basins in China, Dagu Drainage River flowing through a chemical industry zone, and two other rivers flowing into Bohai Sea in Tianjin City, China were investigated. The concentrations of PCDD/Fs and PCBs in the sediments from the mainstream of Haihe River were 1.3-26 pg I-TEQ g À1 dry weight (dw) and 0.07-0.54 pg TEQ g À1 dw, respectively. Heavy PCDD/Fs and PCBs pollution, with 1264 pg I-TEQ g À1 dw and 21 pg TEQ g À1 dw, was found in sediment from Dagu Drainage River. The congener profiles of PCDD/Fs indicated that the principal contamination source was the production of pentachlorophenol (PCP) or PCP-Na in this area. The correlation between PCDD/Fs or PCBs and total organic matter (TOM) showed that PCDD/Fs or PCBs were independent on TOM.

Levels of Polybrominated diphenyl ether (PBDEs) are increasing in the environment due to their use as flame retardants. The similarities of structure to polychlorinated biphenyl (PCB) congeners suggest that they may share similar toxicological properties, such as hepatic enzyme induction. In this work, quantitative structure-activity relationship (QSAR) models were constructed based on 406 descriptors for the logarithm of toxicology index (aryl hydrocarbon receptor relative binding affinities, AhR, I) of 18 PBDE congeners. The method used for building model is the Heuristic method, which is included in comprehensive descriptors for structural and statistical analysis (CODESSA) software. The best regression model involved four descriptors, which were related to the conformational changes, atomic reactivity, molecular electrostatic field, and non-uniformity of mass distribution in a molecule of PBDEs, etc. The high square of the correlation coefficient R(2)(0.903) showed the model was satisfactory.

Total concentrations of compounds that can cause activation of the aryl hydrocarbon receptor (AhR) in extracts of river sediments from various locations in the Haihe and Dagu Rivers, Tianjin, China were determined by use of the in vitro H4IIE-luc cell line. AhR-active compounds were isolated from sediments by Soxhlet extraction, and the crude extracts were fractionated using a Florisil column into three Fractions. The response of samples was compared to the TCDD standard and expressed as 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) equivalents (TCDD-EQs). Significant dioxin-like activity was observed in each sample. The TCDD-EQs in crude extracts of sediments (SCEs), as determined with the bioassay were 2-4 times greater than the sum of the TCDD-EQs of the eluent from fractions separated with a Florisil column. The results also showed that Fractions 2 and 3 contained most of the AhR-mediated activity. The results obtained by using the bioassay were compared with those of previous measurements of the concentrations of polychlorinated dibenzo-p-dioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs) and the structurally-similar AhR-active polychlorinated biphenyls (PCBs). It was determined that sediments from the Dagu River contained greater concentrations of TCDD-EQ than did sediments from the Haihe River except at Jingangqiao (location R3), which is associated with industrial activities in the adjacent densely populated area. The concentrations of TCDD-EQs, based on the EC 20 and the relative potency ranges, of SCEs ranged from 330 to 930 and 1200 to 13 900 pg TCDD-EQ g À1 dry wt in Haihe and Dagu Rivers, respectively.