Accumulation of PCBs and Organochlorine Pesticides in River-Caught European River Lamprey (Lampetra fluviatillis) in Finland

Merivirta, Lauri O.; Kivisaari, Meija; Berg, Søren; Peltonen, K; Björkroth, Johanna; Korkeala, Hannu

doi:10.1007/s00128-006-0948-4

Cited by 5 publications

(1 citation statement)

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“…The following PCB congeners were detected in Lampetra fluviatilis in Europe by Merivirta et al [34]: PCB-28, 52, 101, 114, 118, 128, 138, 141, 149, 151, 153, 170, 180. The range of these congeners is from trichlorodiphenyl to heptachlorobiphenyl.…”

Section: Results and Analysismentioning

confidence: 99%

Biological enrichment prediction of polychlorinated biphenyls and novel molecular design based on 3D-QSAR/HQSAR associated with molecule docking

Yang

Liu

2019

Bioscience Reports

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Based on the experimental data of octanol-water partition coefficients (Kow, represents bioaccumulation) for 13 polychlorinated biphenyl (PCB) congeners, comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) were used to establish 3D-QSAR models, combined with the hologram quantitative structure–activity relationship (HQSAR), the substitution sites (mono-substituted and bis-substituted) and substituent groups (electron-withdrawing hydrophobic groups) that significantly affect the octanol-water partition coefficients values of PCBs were identified, a total of 63 monosubstituted and bis-substituted were identified. Compared with using 3D-QSAR model alone, the coupling of 3D-QSAR and HQSAR models greatly increased the number of newly designed bis-substituted molecules, and the logKow reduction in newly designed bis-substituted molecules was larger than that of monosubstituted molecules. This was established to predict the Kow values of 196 additional PCBs and carry out a modification of target molecular PCB-207 to lower its Kow (biological enrichment) significantly, simultaneously maintaining the flame retardancy and insulativity after calculation by using Gaussian09. Simultaneously, molecular docking could further screen out three more environmental friendly low biological enrichment newly designed PCB-207 molecules (5-methyl-PCB-207, 5-amino-PCB-207, and 4-amino-5-ethyl-PCB-207).

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Section: Results and Analysismentioning

confidence: 99%

Biological enrichment prediction of polychlorinated biphenyls and novel molecular design based on 3D-QSAR/HQSAR associated with molecule docking

Yang

Liu

2019

Bioscience Reports

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Polychlorinated Biphenyls (PCBs) in PM10 Surrounding a Chemical Industrial Zone in Shanghai, China

Cheng

Xie

et al. 2007

Bull Environ Contam Toxicol

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In order to gain comprehensive understanding of status, properties and sources of PCBs pollution at an industrial area in Shanghai, PM10 were collected during the period November 2004-September 2005. The results showed that the mean value of total PCBs in the industrial area was 2,017.22 pg m(-3). Three dioxin-like PCB congeners had a mean value of TEQ of 0.24 pg-TEQ m(-3). The concentrations of PCBs at all sites were higher in colder months than in warmer months. SigmaPCB concentrations were correlated positively with SO2, NO2 and OCPs, while negatively with polycyclic aromatic hydrocarbons (PAHs), ambient temperature, rainfall and wind speed. It could be concluded that the area had been contaminated by PCBs from a local source.

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Environmental Risks Caused by Pesticides at Forest Nurseries in Finland

Sorvari

Jaakkonen

2011

Human and Ecological Risk Assessment: An International Journal

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Accumulation of PCBs and Organochlorine Pesticides in River-Caught European River Lamprey (Lampetra fluviatillis) in Finland

Cited by 5 publications

References 0 publications

Biological enrichment prediction of polychlorinated biphenyls and novel molecular design based on 3D-QSAR/HQSAR associated with molecule docking

Biological enrichment prediction of polychlorinated biphenyls and novel molecular design based on 3D-QSAR/HQSAR associated with molecule docking

Polychlorinated Biphenyls (PCBs) in PM10 Surrounding a Chemical Industrial Zone in Shanghai, China

Environmental Risks Caused by Pesticides at Forest Nurseries in Finland

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