Optimization calculations of 209 polychlorinated biphenyls (PCBs) were carried out at the B3LYP/6-31G^* level. It was found that there is significant correlation between the Cl substitution position and some struct...Optimization calculations of 209 polychlorinated biphenyls (PCBs) were carried out at the B3LYP/6-31G^* level. It was found that there is significant correlation between the Cl substitution position and some structural parameters. Consequently, Cl substitution positions were taken as theoretical descriptors to establish a novel QSPR model for predicting –lgSw of all PCB congeners. The model achieved in this work contains four variables, of which r^2 = 0.9527, q^2 = 0.9490 and SD = 0.25 with large t values. In addition, the variation inflation factors (VIFs) of variables in this model are all less than 5.0, suggesting high accuracy of the –lgSw predicting model. And the results of cross-validation test and method validation also show that the model exhibits optimum stability and better predictive capability than that from the AM1 method.展开更多
A total of 198 agricultural soil samples were collected from Zhangjiagang and Changshu in Southern Jiangsu for analysis of 13 polychlorinated biphenyls (PCBs) in order to assess the levels of pollution, sources, are...A total of 198 agricultural soil samples were collected from Zhangjiagang and Changshu in Southern Jiangsu for analysis of 13 polychlorinated biphenyls (PCBs) in order to assess the levels of pollution, sources, area distribution, and potential risk for the environment. All methods were rigorously tested and an adequate quality control was ensured. Only one site had no PCBs residues, and the highest total PCBs concentration in the surface soils was 32.83 ng/g. The average concentration in all the soil samples was 4.13 ng/g, signaling low-level pollution. Tetra-, penta-, and hexa-chlorinated biphenyls were dominant species in soil samples, accounting for more than 75% of ∑PCBs in the soil samples. PCB118 was the most abundant congener in all the samples. The PCB118 was about 20% of ∑PCBs. The soil organic matter content showed only a weak correlation with the levels of all PCB congeners, in which a better correlation was noted for the more volatile lighter PCB congeners than for the heavier homologues. To a certain extent, the sources and land use seemed to influence the levels of PCBs.展开更多
Homolog and congener profiles of polychlori- nated biphenyls (PCBs), polychlorinated dibenzo-p- dioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs) in commercial PCBs formulations are useful information fo...Homolog and congener profiles of polychlori- nated biphenyls (PCBs), polychlorinated dibenzo-p- dioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs) in commercial PCBs formulations are useful information for the source appointment of PCBs contam- ination as well as the risk assessment caused by potential exposure. Dielectric oil (ASKAREL Nr 1740) in an imported transformer found in China was sampled and analyzed by isotope dilution technology using high resolution gas chromatography-high resolution mass spectrometry (HRGC/HRMS). The detailed homolog and congener profiles of PCBs obtained were compared with those of known Aroclor formulations. High similarity in the homolog profile between the oil sample and Aroclor 1260was found, with the hexachlorinated and hepta- chlorinated biphenyls accounting for more than 80.2% of the total PCBs concentration. Severn indicator PCBs contribute about 30%, while 12 PCB congeners (i.e., # 153, #143, #168, #180, #149, #165, #138, #170, #190, #187, #174, #181) account for more than 50% of the total PCB concentrations. Total concentration ofPCDDs, PCDFs and dioxin-like PCBs (DL-PCBs) was found to be 740 ng TEQ/g, of which 620 ng TEQ/g came from DL-PCBs. The contribution of PCDDs to the total TEQ was neglectable. The concentration of PCDFs homologs follows the order of OCDF 〉 HxCDFs 〉 HpCDFs 〉 PeCDFs 〉 TeCDFs, which is in consistence with the previous study on Aroclor 1260. Three DL-PCBs congeners (i.e., #118, #156, #157) accounted for 77% of the total concentration of DL-PCBs, also they contribute 72% in the TEQ caused by DL-PCBs.展开更多
The toxic and recalcitrant polychlorinated biphenyls (PCBs) adversely affect human and biota by bioaccumulation and biomagnification through food chain. In this study, an anaerobic microcosm was developed to extensi...The toxic and recalcitrant polychlorinated biphenyls (PCBs) adversely affect human and biota by bioaccumulation and biomagnification through food chain. In this study, an anaerobic microcosm was developed to extensively dechlorinate hexa- and hepta-CBs in Aroclor 1260. After 4 months of incubation in defined mineral salts medium amended PCBs (70μmol· L^-1) and lactate (10 mmol· L^-1), the culture dechlorinated hexa-CBs from 40.2% to 8.7% and hepta-CBs 33.6% to 11.6%, with dechlorination efficiencies of 78.3% and 65.5%, respectively (all in moL ratio). This dechlorination process led to tetra-CBs (46.4%) as the predominant dechlorination products, followed by penta- (22.1%) and tri-CBs (5.4%). The number of meta chlorines per biphenyl decreased from 2.50 to 1.41. Results of quantitative real-time PCR show that Dehalococcoides cells increased from 2.39 × 10^5±0.5× 10^5 to 4.99 ×10^7±0.32 ×10^7 copies mL^-1 after 120 days of incubation, suggesting that Dehalococcoides play a major role in reductive dechlorination of PCBs. This study could prove the feasibility of anaerobic reductive culture enrichment for the dehalogenation of highly chlorinated PCBs, which is priorto be applied for in situ biorernediation of notorious halogenated compounds.展开更多
Introduction Assessment of environmental health effects arising from exposure to multiple substances is often very challenging.This is particularly true when humans are exposed to a mixture that contains both benefici...Introduction Assessment of environmental health effects arising from exposure to multiple substances is often very challenging.This is particularly true when humans are exposed to a mixture that contains both beneficial and harmful substances.A good example relates to the risk and benefits of fish consumption.展开更多
Printed circuit boards (PCBs) are in all electronic equipment, so with the sharp increase of electronic waste, the recovery of PCB components has become a critical research field. This paper presents a study of the ...Printed circuit boards (PCBs) are in all electronic equipment, so with the sharp increase of electronic waste, the recovery of PCB components has become a critical research field. This paper presents a study of the reclaimation and reuse of nonmetallic materials recovered from waste PCBs. Mechanical processes, such as crushing, milling, and separation, were used to process waste PCBs. Nonmetallic materials in the PCBs were separated using density-based separation with separation rates in excess of 95%. The recovered nonmetals were used to make models, construction materials, composite boards, sewer grates, and amusement park boats. The PCB nonmetal products have better mechanical characteristics and durability than traditional materials and fillers. The flexural strength of the PCB nonmetallic material composite boards is 30% greater than that of standard products. Products derived from PCB waste processing have been brought into industrial production. The study shows that PCB nonmetals can be reused in profitable and environmentally friendly ways.展开更多
An authentic mixture of polychlorinated biphenyls was measured using a short wide-bore capillary column for the group separation of major components present in an actual sample of Kanechlor. The limits of detection we...An authentic mixture of polychlorinated biphenyls was measured using a short wide-bore capillary column for the group separation of major components present in an actual sample of Kanechlor. The limits of detection were improved by ca. 2 fold in comparison with those obtained using a conventional capillary column, since the retention time was reduced and the amount of analytes introduced into the mass spectrometer per unit time could be increased. On the other hand, surface-water and sediment samples containing polycyclic aromatic hydrocarbons (PAHs) were collected from the river located in the vicinity of a waste water treatment plant. Even acenaphthylene, a minor component of the mixture could be measured for the sediment sample, and the concentra- tions were determined for several heavy PAHs. As demonstrated, a technique involving laser multiphoton ionization/time-of-flight mass spectrometry was useful as a sensitive and selective analytical tool for the trace analysis of persistent organic pollutants in an environmental sample.展开更多
This study developed a method to perform the simultaneous concentration and selective separation of 66 (ultra) trace persistent toxic substances in Antarctic waters. The substances included 30 polychlorinated biphen...This study developed a method to perform the simultaneous concentration and selective separation of 66 (ultra) trace persistent toxic substances in Antarctic waters. The substances included 30 polychlorinated biphenyls, 17 organochlorine pesticides, 16 polycyclic aromatic hydrocarbons, 3 hexabromocyclododecanes. Solid phase extraction was performed using a C18 membrane and silica gel column. Gradient elution was conducted using organic solvents with different polarities; as a result, the efficiency of the C18 film is improved and the interferences from impurities and target compounds are eliminated. Extracts were subsequently analyzed through gas chromatography or liquid and gas chromatography coupled to tandem mass spectrometry. Method validation yielded the following values: recoveries of all target analytes in the Antarctic water ranged from 87.3% to 117.6% and reproducibility as percent relative standard deviation was lower than 5%. Quantification limits ranged from 0.004 μg L^-1 to 0.030 μg L^-1. The established method improved the recoveries and reduced the limits of detection. Results indicated the method exhibited good performance in the simultaneous concentration and selective separation of 66 (ultra) trace organic pollutants; Therefore, the proposed sample pretreatment can potentially eliminate the effects of various classes of impurities to some extent.展开更多
基金This work was supported by the 973 National Basic Research Program of China (2003CB415002)the China Postdoctoral Science Foundation (No. 2003033486)
文摘Optimization calculations of 209 polychlorinated biphenyls (PCBs) were carried out at the B3LYP/6-31G^* level. It was found that there is significant correlation between the Cl substitution position and some structural parameters. Consequently, Cl substitution positions were taken as theoretical descriptors to establish a novel QSPR model for predicting –lgSw of all PCB congeners. The model achieved in this work contains four variables, of which r^2 = 0.9527, q^2 = 0.9490 and SD = 0.25 with large t values. In addition, the variation inflation factors (VIFs) of variables in this model are all less than 5.0, suggesting high accuracy of the –lgSw predicting model. And the results of cross-validation test and method validation also show that the model exhibits optimum stability and better predictive capability than that from the AM1 method.
基金Project supported by the National Basic Research Program (973) of China(No. 2002CB410810).
文摘A total of 198 agricultural soil samples were collected from Zhangjiagang and Changshu in Southern Jiangsu for analysis of 13 polychlorinated biphenyls (PCBs) in order to assess the levels of pollution, sources, area distribution, and potential risk for the environment. All methods were rigorously tested and an adequate quality control was ensured. Only one site had no PCBs residues, and the highest total PCBs concentration in the surface soils was 32.83 ng/g. The average concentration in all the soil samples was 4.13 ng/g, signaling low-level pollution. Tetra-, penta-, and hexa-chlorinated biphenyls were dominant species in soil samples, accounting for more than 75% of ∑PCBs in the soil samples. PCB118 was the most abundant congener in all the samples. The PCB118 was about 20% of ∑PCBs. The soil organic matter content showed only a weak correlation with the levels of all PCB congeners, in which a better correlation was noted for the more volatile lighter PCB congeners than for the heavier homologues. To a certain extent, the sources and land use seemed to influence the levels of PCBs.
文摘Homolog and congener profiles of polychlori- nated biphenyls (PCBs), polychlorinated dibenzo-p- dioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs) in commercial PCBs formulations are useful information for the source appointment of PCBs contam- ination as well as the risk assessment caused by potential exposure. Dielectric oil (ASKAREL Nr 1740) in an imported transformer found in China was sampled and analyzed by isotope dilution technology using high resolution gas chromatography-high resolution mass spectrometry (HRGC/HRMS). The detailed homolog and congener profiles of PCBs obtained were compared with those of known Aroclor formulations. High similarity in the homolog profile between the oil sample and Aroclor 1260was found, with the hexachlorinated and hepta- chlorinated biphenyls accounting for more than 80.2% of the total PCBs concentration. Severn indicator PCBs contribute about 30%, while 12 PCB congeners (i.e., # 153, #143, #168, #180, #149, #165, #138, #170, #190, #187, #174, #181) account for more than 50% of the total PCB concentrations. Total concentration ofPCDDs, PCDFs and dioxin-like PCBs (DL-PCBs) was found to be 740 ng TEQ/g, of which 620 ng TEQ/g came from DL-PCBs. The contribution of PCDDs to the total TEQ was neglectable. The concentration of PCDFs homologs follows the order of OCDF 〉 HxCDFs 〉 HpCDFs 〉 PeCDFs 〉 TeCDFs, which is in consistence with the previous study on Aroclor 1260. Three DL-PCBs congeners (i.e., #118, #156, #157) accounted for 77% of the total concentration of DL-PCBs, also they contribute 72% in the TEQ caused by DL-PCBs.
基金Acknowledgements This work was financial supported by grants from the National Natural Science Foundation of China (Grant Nos. 51108014 and 41671310).
文摘The toxic and recalcitrant polychlorinated biphenyls (PCBs) adversely affect human and biota by bioaccumulation and biomagnification through food chain. In this study, an anaerobic microcosm was developed to extensively dechlorinate hexa- and hepta-CBs in Aroclor 1260. After 4 months of incubation in defined mineral salts medium amended PCBs (70μmol· L^-1) and lactate (10 mmol· L^-1), the culture dechlorinated hexa-CBs from 40.2% to 8.7% and hepta-CBs 33.6% to 11.6%, with dechlorination efficiencies of 78.3% and 65.5%, respectively (all in moL ratio). This dechlorination process led to tetra-CBs (46.4%) as the predominant dechlorination products, followed by penta- (22.1%) and tri-CBs (5.4%). The number of meta chlorines per biphenyl decreased from 2.50 to 1.41. Results of quantitative real-time PCR show that Dehalococcoides cells increased from 2.39 × 10^5±0.5× 10^5 to 4.99 ×10^7±0.32 ×10^7 copies mL^-1 after 120 days of incubation, suggesting that Dehalococcoides play a major role in reductive dechlorination of PCBs. This study could prove the feasibility of anaerobic reductive culture enrichment for the dehalogenation of highly chlorinated PCBs, which is priorto be applied for in situ biorernediation of notorious halogenated compounds.
基金Alberta Health,Alberta Innovates,the Canada Research Chairs Program,the Canadian Institutes of Health Research,and the Natural Sciences and Engineering Research Council of Canada
文摘Introduction Assessment of environmental health effects arising from exposure to multiple substances is often very challenging.This is particularly true when humans are exposed to a mixture that contains both beneficial and harmful substances.A good example relates to the risk and benefits of fish consumption.
基金the National High-Tech Research and Development (863) Program of China (No. 2004AA420120)
文摘Printed circuit boards (PCBs) are in all electronic equipment, so with the sharp increase of electronic waste, the recovery of PCB components has become a critical research field. This paper presents a study of the reclaimation and reuse of nonmetallic materials recovered from waste PCBs. Mechanical processes, such as crushing, milling, and separation, were used to process waste PCBs. Nonmetallic materials in the PCBs were separated using density-based separation with separation rates in excess of 95%. The recovered nonmetals were used to make models, construction materials, composite boards, sewer grates, and amusement park boats. The PCB nonmetal products have better mechanical characteristics and durability than traditional materials and fillers. The flexural strength of the PCB nonmetallic material composite boards is 30% greater than that of standard products. Products derived from PCB waste processing have been brought into industrial production. The study shows that PCB nonmetals can be reused in profitable and environmentally friendly ways.
文摘An authentic mixture of polychlorinated biphenyls was measured using a short wide-bore capillary column for the group separation of major components present in an actual sample of Kanechlor. The limits of detection were improved by ca. 2 fold in comparison with those obtained using a conventional capillary column, since the retention time was reduced and the amount of analytes introduced into the mass spectrometer per unit time could be increased. On the other hand, surface-water and sediment samples containing polycyclic aromatic hydrocarbons (PAHs) were collected from the river located in the vicinity of a waste water treatment plant. Even acenaphthylene, a minor component of the mixture could be measured for the sediment sample, and the concentra- tions were determined for several heavy PAHs. As demonstrated, a technique involving laser multiphoton ionization/time-of-flight mass spectrometry was useful as a sensitive and selective analytical tool for the trace analysis of persistent organic pollutants in an environmental sample.
基金financially supported by the National Natural Science Foundation of China(No.21377032)the Chinese Polar Environment Comprehensive Investigation and Assessment Program(Nos.2014-02-01,2014-03-04,2014-04-01,2014-04-03)+1 种基金the Marine Public Welfare Scientific Research Projects(No.201105013)the Foundation of Polar Science Key Laboratory,SOA,China(No.KP201208)
文摘This study developed a method to perform the simultaneous concentration and selective separation of 66 (ultra) trace persistent toxic substances in Antarctic waters. The substances included 30 polychlorinated biphenyls, 17 organochlorine pesticides, 16 polycyclic aromatic hydrocarbons, 3 hexabromocyclododecanes. Solid phase extraction was performed using a C18 membrane and silica gel column. Gradient elution was conducted using organic solvents with different polarities; as a result, the efficiency of the C18 film is improved and the interferences from impurities and target compounds are eliminated. Extracts were subsequently analyzed through gas chromatography or liquid and gas chromatography coupled to tandem mass spectrometry. Method validation yielded the following values: recoveries of all target analytes in the Antarctic water ranged from 87.3% to 117.6% and reproducibility as percent relative standard deviation was lower than 5%. Quantification limits ranged from 0.004 μg L^-1 to 0.030 μg L^-1. The established method improved the recoveries and reduced the limits of detection. Results indicated the method exhibited good performance in the simultaneous concentration and selective separation of 66 (ultra) trace organic pollutants; Therefore, the proposed sample pretreatment can potentially eliminate the effects of various classes of impurities to some extent.