Use of QSAR and SSD methods on deriving predicted no-effect concentrations in seawater and sediment for ten individualparent- and alkyl-PAHs and a case study on the assessment of their ecological risks from the Dalian Bay, China

Ying Wang; Xing Liu; Yi Cong; Jin Fei; Juying Wang; Dian Zhang; Liang Liu; Jingli Mu; Ziwei Yao

doi:10.1007/s13131-020-1693-y

Volume 39 Issue 12

Jan. 2021

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Article Navigation > Acta Oceanologica Sinica > 2020 > 39(12): 95-105

Ying Wang, Xing Liu, Yi Cong, Jin Fei, Juying Wang, Dian Zhang, Liang Liu, Jingli Mu, Ziwei Yao. Use of QSAR and SSD methods on deriving predicted no-effect concentrations in seawater and sediment for ten individualparent- and alkyl-PAHs and a case study on the assessment of their ecological risks from the Dalian Bay, China[J]. Acta Oceanologica Sinica, 2020, 39(12): 95-105. doi: 10.1007/s13131-020-1693-y

Citation:

Ying Wang, Xing Liu, Yi Cong, Jin Fei, Juying Wang, Dian Zhang, Liang Liu, Jingli Mu, Ziwei Yao. Use of QSAR and SSD methods on deriving predicted no-effect concentrations in seawater and sediment for ten individualparent- and alkyl-PAHs and a case study on the assessment of their ecological risks from the Dalian Bay, China[J]. Acta Oceanologica Sinica, 2020, 39(12): 95-105. doi: 10.1007/s13131-020-1693-y

Citation:

Ying Wang, Xing Liu, Yi Cong, Jin Fei, Juying Wang, Dian Zhang, Liang Liu, Jingli Mu, Ziwei Yao. Use of QSAR and SSD methods on deriving predicted no-effect concentrations in seawater and sediment for ten individualparent- and alkyl-PAHs and a case study on the assessment of their ecological risks from the Dalian Bay, China[J]. Acta Oceanologica Sinica, 2020, 39(12): 95-105. doi: 10.1007/s13131-020-1693-y

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Use of QSAR and SSD methods on deriving predicted no-effect concentrations in seawater and sediment for ten individualparent- and alkyl-PAHs and a case study on the assessment of their ecological risks from the Dalian Bay, China

doi: 10.1007/s13131-020-1693-y

Ying Wang^{1, 2},
Xing Liu¹,
Yi Cong¹,
Jin Fei¹,
Juying Wang^{1
,
,},
Dian Zhang³,
Liang Liu¹,
Jingli Mu¹,
Ziwei Yao¹

1.
Key Laboratory for Ecological Environment in Coastal Areas of Ministry of Ecology and Environment, National Marine Environmental Monitoring Center, Dalian 116023, China
2.
State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085, China
3.
Third Institute of Oceanography, Ministry of Natural Resources, Xiamen 361005, China

Funds: The National Key Research and Development Program of China under contract No. 2016YFC1402305; the Postdoctoral Research Foundation of China under contract No. 2016M601148; the Scientific Research Special Fund of Marine Public Welfare Industry under contract No. 201305002.

More Information

Corresponding author: Juying Wang National Marine Environmental Monitoring Center, Linghe Street 42, Shahekou District, Dalian 116023, Liaoning Province, China Phone: +86-411-8478 2526, Fax: +86-411-8478 2586 Email: jywang@nmemc.org.cn
Received Date: 2019-08-21
Accepted Date: 2020-05-18

Available Online: 2021-04-21

Publish Date: 2020-12-25

Abstract

Abstract

Parent and alkylated polycyclic aromatic hydrocarbons (alkyl-PAHs), which are a class of important toxic components of crude oil especially in the marine environment, exhibit adverse effects on aquatic life and potentially pose a human health risk. However, the lack of chronic toxicity data is one of the hindrances for alkyl-PAHs when assessing their ecological risks. In this study, predicted no-effect concentrations (PNECs) in seawater and marine sediment for ten parent- and alkyl-PAHs were derived by applying species sensitivity distributions (SSDs) and quantitative structure−activity relationships (QSARs). The local area, Dalian Bay, where an oil-spilled accident happened in 2010, was chosen as a case site to assess ecological risks for ten PAHs in surface seawaters and marine sediments. Their PNECs in seawater and sediment for protecting aquatic organisms in marine ecosystems were calculated and recommended in the range of 0.012−2.79 μg/L and 48.2−1337 ng/g (dry weight), respectively. Overall, the derived PNECs for the studied PAHs in seawater and marine sediment were comparable to those obtained by classical methods. Risk quotient results indicate low ecological risks to ecosystems for ten parent- and alkyl-PAHs in surface seawaters and surface sediments from the Dalian Bay. These findings provide a first insight into the PNECs and ecological risks of alkyl-PAHs, emphasizing the role of the computational toxicology in ecological risk assessments. The use of QSARs has been identified as a valuable tool for preliminarily assessing ecological risks of emerging pollutants, being more predictable of real exposure scenarios for risk assessment purposes.
- alkyl-PAHs,
- QSARs,
- PNECs,
- ecological risks,
- Dalian Bay

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References(54)

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