Organochlorine pesticides (OCP) were monitored at the Weissfluhjoch site (Switzerland) and the top of Mt. Sonnblick (Austria) with a low volume active air sampler and semipermeable membrane devices (SPMD). The air sam...Organochlorine pesticides (OCP) were monitored at the Weissfluhjoch site (Switzerland) and the top of Mt. Sonnblick (Austria) with a low volume active air sampler and semipermeable membrane devices (SPMD). The air sampling rates (Rair) of the SPMD for OCP were calculated. Statistical tests showed that there was no significant difference between Rair at the two different sampling sites. Quantitative structure-property relationship (QSPR) models of the Rair of the SPMD were developed for OCP using partial least square (PLS) regression. Quantum chemical descriptors computed by the semi-empirical PM6 method were used as predictor variables. The cumulative variance of the dependent variable explained by the PLS components and determined by cross-validation (Q2cum) was >0.818 for each optimal model. This indicates that the model has good predictive ability and robustness. The Rair of the SPMD for OCP is related to the total energy, the van der Waals area and the total dipole moment of the OCP molecules. The main factors governing Rair values of OCP are intermolecular interactions and the energy required for cavity-formation in dissolution of OCP into triolein of the SPMD. The linear correlation coefficient between predicted and experimental values were all >0.921.展开更多
The evaluation of estrogenic activities and aryl hydrocarbon receptor (AhR) agonists in water from Three Gorges Reservoir (TGR) China was conducted by in vitro bioassays combined with SPMD-based virtual organisms (VO)...The evaluation of estrogenic activities and aryl hydrocarbon receptor (AhR) agonists in water from Three Gorges Reservoir (TGR) China was conducted by in vitro bioassays combined with SPMD-based virtual organisms (VO). VOs were deployed at seven sites in the Three Gorges Reservoir (TGR), China for two periods in 2009. The estrogenic activity was assessed using a rapid yeast estrogen bioassay, based on the expression of a green fluorescent reporter protein (yEGFP). The AhR activity was detected employing rat hepatoma cell line (H4IIE). The results indicate that AhR agonists distributed widely in water of TGR and almost homogenously distributed in most area of TGR. Weak antiestrogenic activities were also found homogenously distributed in water of TGR. Further studies are needed to determine the identities of these estrogenic compounds and AhR agonists and their potential adverse effects on wild biota in TGR.展开更多
基金supported by the National Natural Science Foundation of China (20877011)the State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences (KF2009-17)+2 种基金the Key Laboratory of Industrial Ecology and Environmental Engineering, China Ministry of Education (0802)Scientific Research Foundation for Returned Overseas Chinese ScholarsThe Monitoring Network in the Alpine Region for Persistent and other Organic Pollutants, MONARPOP, was funded by the EU Interreg III B Alpine Space Programme (Alpine Space) and by the participating partners
文摘Organochlorine pesticides (OCP) were monitored at the Weissfluhjoch site (Switzerland) and the top of Mt. Sonnblick (Austria) with a low volume active air sampler and semipermeable membrane devices (SPMD). The air sampling rates (Rair) of the SPMD for OCP were calculated. Statistical tests showed that there was no significant difference between Rair at the two different sampling sites. Quantitative structure-property relationship (QSPR) models of the Rair of the SPMD were developed for OCP using partial least square (PLS) regression. Quantum chemical descriptors computed by the semi-empirical PM6 method were used as predictor variables. The cumulative variance of the dependent variable explained by the PLS components and determined by cross-validation (Q2cum) was >0.818 for each optimal model. This indicates that the model has good predictive ability and robustness. The Rair of the SPMD for OCP is related to the total energy, the van der Waals area and the total dipole moment of the OCP molecules. The main factors governing Rair values of OCP are intermolecular interactions and the energy required for cavity-formation in dissolution of OCP into triolein of the SPMD. The linear correlation coefficient between predicted and experimental values were all >0.921.
文摘The evaluation of estrogenic activities and aryl hydrocarbon receptor (AhR) agonists in water from Three Gorges Reservoir (TGR) China was conducted by in vitro bioassays combined with SPMD-based virtual organisms (VO). VOs were deployed at seven sites in the Three Gorges Reservoir (TGR), China for two periods in 2009. The estrogenic activity was assessed using a rapid yeast estrogen bioassay, based on the expression of a green fluorescent reporter protein (yEGFP). The AhR activity was detected employing rat hepatoma cell line (H4IIE). The results indicate that AhR agonists distributed widely in water of TGR and almost homogenously distributed in most area of TGR. Weak antiestrogenic activities were also found homogenously distributed in water of TGR. Further studies are needed to determine the identities of these estrogenic compounds and AhR agonists and their potential adverse effects on wild biota in TGR.
