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

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Acta Oceanologica Sinica 2020年第12期39卷 95-105页

作者： Ying Wang Xing Liu Yi Cong Jin Fei Juying Wang Dian Zhang Liang Liu Jingli Mu Ziwei Yao Key Laboratory for ecological Environment in Coastal Areas of Ministry of Ecology and Environment National Marine Environmental Monitoring CenterDalian 116023China State Key Laboratory of environmental Chemistry and Ecotoxicology Research Center for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China Third Institute of Oceanography Ministry of Natural ResourcesXiamen 361005China

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 ***,the lack of chronic toxicity data is one of the hindrances for alkylPAHs when assessing their ecological *** 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 *** PNECs in seawater and sediment for protecting aquatic organisms in marine ecosystems were calculated and recommended in the range of 0.012-2.79μg/L and 48.2-1337 ng/g(dry weight),***,the derived PNECs for the studied PAHs in seawater and marine sediment were comparable to those obtained by classical *** quotient results indicate low ecological risks to ecosystems for ten parent-and alkyl-PAHs in surface seawaters and surface sediments from the Dalian *** findings provide a first insight into the PNECs and ecological risks of alkyl-PAHs,emphasizing the role of the computational toxicology in ecological risk *** 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.

关键词： alkyl-PAHs QSARs PNECs ecological risks Dalian Bay

Kinetic mechanism of copper extraction from methylchlorosilane slurry residue using hydrogen peroxide as oxidant

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Chinese Journal of Chemical Engineering 2023年第8期60卷 228-234页

作者： Xiaolin Guo Zhaoyang Zhang Pengfei Xing Shuai Wang Yibing Guo Yanxin Zhuang School of Metallurgy Northeastern UniversityShenyang 110819China ecological environmental monitoring center of Liaoning Province Shenyang 110819China School of Materials Science and Engineering Northeastern UniversityShenyang 110819China

Copper was extracted from methylchlorosilane slurry residue by a direct hydrogen peroxide leaching method.A number of experimental parameters were analyzed to determine the extraction efficiency of *** extraction efficiency of copper reached 98.5%under the optimal leaching conditions,such as the hydrogen peroxide concentration of 1.875 mol·L^(-1),the leaching temperature of 323 K,the liquid–solid ratio of 20 ml·g^(-1),and the stirring speed of 300 r·min^(-1).The leaching kinetics of the copper extraction process was then described by the shrinking core *** were two *** first stage was controlled by chemical reactions,while the second stage was controlled by interface transfer and product layer *** activation energy and kinetic control equations were determined,as well as an explanation of the leaching mechanism of copper extraction based on kinetic analysis and materials *** resources can be recovered from the methylchlorosilane slurry residue efficiently and inexpensively with the methods used in this study.

关键词： Methylchlorosilane slurry residue Copper extraction Hydrogen peroxide Kinetics

Detection and Quantification of Water-Soluble Inorganic Chlorine,Bromine and Iodine by MALDI-MS

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Journal of Analysis and Testing 2022年第4期6卷 419-423页

作者： Yi Tong Zheng-Zheng Liu Jia-Feng Lu Hai-Yan Zhang Ke-Qiang Shi Guan-Ru Chen Ya-Qin Liu Hong-Ru Feng Yuan-Jiang Pan Department of Chemistry Zhejiang UniversityHangzhou310027China Zhejiang Key Laboratory of ecological and environmental monitoring Forewarning and Quality ControlZhejiang Ecological and Environmental Monitoring CenterHangzhou310012China School of Environment Hangzhou Institute for Advanced StudyUniversity of Chinese Academy of SciencesHangzhou310000China

Halogens are elements in soil and water that occur as organic and inorganic *** have shown that inorganic halogens are closely related to animal and plant ***-assisted laser desorption/ionization mass spectrometry(MALDI-MS)can achieve high-throughput and rapid analysis,which is also an essential characteristic in some environmental ***,there is currently no report on MALDI-MS analysis for water-soluble inorganic halogen *** this study,we aimed to develop a reliable and reproductive method to detect inorganic halogens in soil and water by *** on sinapic acid(SA)and silver trifluoromethanesulfonate(SA/AgOTf)as the matrix in negative-ion mode,MALDI-MS showed excellent MS signals related to *** the optimum conditions,the method achieved satisfactory linearity(R^(2)>0.99)and repeatability(RSD<18%).The LODs for Cl^(−),Br^(−)and I^(−)were 0.76,0.11 and 0.10μg/mL,*** concentration of inorganic halogens from 24 samples was successfully determined by *** summary,an innovative method was developed for the analysis of inorganic halogens by MALDI-MS using a novel SA/AgOTf matrix,extending the application of MALDI-MS in inorganic compounds.

关键词： MALDI-MS Water-soluble halogen Quantification Soil Water

One century record of contamination by polycyclic aromatic hydrocarbons and polychlorinated biphenyls in core sediments from the southern Yellow Sea

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Journal of environmental Sciences 2009年第8期21卷 1080-1088页

作者： ZHANG Peng SONG Jinming FANG Jie LIU Zhigang LI Xuegang YUAN Huamao Key Laboratory Marine Ecology and environmental Sciences Institute of Oceanology Chinese Academy of Scienees Qingdao 266071 China The Graduate University of Chinese Academy of Sciences Beijing 100039 China Zhejiang Zhoushan Marine ecological environmental monitoring Station Zhoushan 316004 China

Sixteen polycyclic aromatic hydrocarbons （PAHs） and 28 polychlorinated biphenyls （PCBs） were measured at a 2-cm interval in a core sample from the middle of the southern Yellow Sea for elucidating their historical variations in inflow and sources. The chronology was obtained using the ^210Pb method. PAHs concentrations decreased generally with depth and two climax values occurred in 14-16 cm and 20-22 cm layers, demonstrating that the production and usage of PAHs might reach peaks in the periods of 1956-1962 and 1938-1944. The booming economy and the navy battles of the Second World War might explain why the higher levels were detected in the two layers. The result of principal component analysis （PCA） revealed that PAHs were primarily owing to the combustion product. Down-cored variation of PCB concentrations was complex. Higher concentrations besides the two peaks being the same as PAHs were detected from 4 to 8 cm, depositing from 1980 to 1992, which probably resulted from the disposal of the out-dated PCB-containing equipment. The average Cl percentage of PCBs detected was similar to that of the mixture of Aroclor 1254 and 1242, suggesting they might origin from the dielectrical and heat-transfer fluid. The total organic carbon （TOC） content played a prevalent role in the adsorption of high molecular weight PAHs （≥ring）, while no obvious relationship among total PCBs, the concentration of congeners, and TOC was found.

关键词： PAHs PCBs the southern Yellow Sea contamination history

Identification and ranking of the risky organic contaminants in the source water of the Danjiangkou reservoir

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Frontiers of environmental Science & Engineering 2014年第1期8卷 42-53页

作者： Qingwei BU Donghong WANG Zijian WANG Junnong GU State Key Laboratory of environmental Aquatic Chemistry Research Center for Eco-Environmental Sciences Chinese Academy of Sciences Beijing 100085 China Water Quality monitoring center Beijing Waterworks Group Co. Ltd. Beijing 100081 China

The Danjiangkou reservoir was selected to provide the source water for the middle routes of the South to North Water Transfer Project, which has provoked many environmental concerns. To date, investigations of water contamination of the source water of the Danjiangkou reservoir with organic micro-pollutants have been limited. This study was conducted to identify and rank organic contaminants that pose risks in the Danjiangkou reservoir. To this end, the Chemical Hazard Evaluation and Manage- ment Strategies （CHEMS-1） approach was adapted to integrate the deconvolution technology of qualitative identifying contaminants for site-specific environmental matrices. The samples were screened for the presence of 1093 contaminants using deconvolution technologies and the hazard values of the identified contaminants were calculated using the adapted CHEMS-1 approach accord- ing to their hazardous properties and occurrence in source water. The results showed that 46 contaminants from 1093 targets were present in Danjiangkou water, 23 of which appeared at frequencies higher than 50%, and 15 of which were identified as priorities. Over half （53%） of the high- ranked contaminants were polycyclic aromatic hydrocar- bons （PAHs）, with chrysene ranked highest on the list. Health risk assessment of the top-ranked PAHs was conducted and revealed that cancer risks of PAHs detected in the source water of Danjiangkou to different populations ranged from 10-7 to 104, indicating a low cancer risk to consumers. The results of this study indicated that the adapted CHEMS-1 approach was feasible for site-specific screening of organic contaminants to identify and rank potential priority pollutants.

关键词： identification and ranking source water,deconvolution risk assessment Danjiangkou South toNorth Water Transfer Project

Source apportionment of heavy metals in soils around a coal gangue heap with the APCS-MLR and PMF receptor models in Chongqing,southwest China

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Journal of Mountain Science 2023年第4期20卷 1061-1073页

作者： MA Jie SHEN Zhi-jie WANG Sheng-lan DENG Li SUN Jing LIU Ping SHE Ze-lei Chongqing ecological and environmental monitoring center Chongqing401147China Key Laboratory of Organic Pollutants in environmental Chemical Behavior and ecological Toxicology of Chongqing Chongqing401147China College of Resources and Environment Southwest UniversityChongqing400715China Chongqing University of Arts and Sciences Chongqing402160China

This study studied the characteristics and source apportionment of heavy metal pollution in the agricultural soil surrounding a gangue coal heap in Chongqing,China by using absolute principal component scores-multiple linear regression(APCSMLR)model and positive matrix factorization(PMF)*** applicability of the models was compared in the assessment of source *** results showed that the average contents of Cd,Hg,As,Pb,Cr,Cu,Ni,and Zn in the surface soil were 0.46,0.14,9.66,31.2,127,95.6,76.0,and 158 mg/kg,*** with the spatial distribution and correlation analyses,the results of source apportionment were consistent for both the APCSMLR and PMF ***,Hg,As,and Pb were mainly affected by the gangue heap accumulation,with respective contributions of 74.6%,79.4%,69.1%,and 67.2%based on the APCS-MLR model and respective contributions of 69.7%,60.7%,57.4%,and 41.9%based on the PMF *** and Zn were mainly affected by industrial and agricultural activities,while Cr and Cu were mainly affected by natural *** results of the source apportionment were approximately consistent between the APCS-MLR and PMF *** combined application of the two receptor models can make the results of source apportionment more comprehensive,accurate,and reliable.

关键词： Coal gangue heap Heavy metals Agricultural soil Source apportionment

Organophosphate esters in sediment from Taihu Lake,China:Bridging the gap between riverine sources and lake sinks

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Frontiers of environmental Science & Engineering 2022年第3期16卷 35-47页

作者： Wenping Zhang Changsheng Guo Jiapei Lv Xu Li Jian Xu State Key Laboratory of environmental Criteria and Risk Assessment Chinese Research Academy of Environmental SciencesBeijing 100012China State environmental Protection Key Laboratory of ecological Effect and Risk Assessment of Chemicals Chinese Research Academy of Environmental SciencesBeijing 100012China center for environmental Health Risk Assessment and Research Chinese Research Academy of Environmental SciencesBeijing 100012China

Surface sediment samples from Taihu Lake in China and its inflow rivers,along with two lake sediment core samples,were collected and analyzed for organophosphate esters(OPEs).The concentrations of total OPEs varied from 28.60 ng/g to 158.72 ng/g(median:54.25 ng/g)in river surface sediment and from 62.57 ng/g to 326.84 ng/g(median:86.37 ng/g)in lake *** phosphate(TnBP)was the predominant compound in river surface sediment,and tris(2-butoxyethyl)phosphate was predominant in lake *** contamination occurred in the north-west region,which was related to the high level of urbanization and high usage of *** sediment–water partition coefficients of OPEs(log_(Koc))were calculated,showing a significant correlation with logKow(pecological risks.

关键词： Organophosphate esters Partition Vertical distribution Composition profile Positive matrix factorization

Non‐chromate conversion process for zinc coating with durable hydrophobicity and enhanced corrosion resistance

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Biosurface and Biotribology 2022年第3期8卷 266-277页

作者： J.Y.Chen Z.Y.Hu Z.X.Li X.L.Wang C.D.Gu J.P.Tu School of Materials Science and Engineering State Key Laboratory of Silicon MaterialsZhejiang UniversityHangzhouChina Key Laboratory of Advanced Materials and Applications for Batteries of Zhejiang Province HangzhouChina Zhejiang ecological and environmental monitoring center HangzhouChina Zhejiang Key Laboratory of ecological and environmental monitoring Forewarning and Quality ControlHangzhouChina

A Zn‐based coating with durable hydrophobicity and good corrosion resistance was formed on a mild steel substrate,which involves electroplating Zn from a non‐aqueous electrolyte,followed by passivation in an oleic acid(OA)*** electrodeposited Zn coatings were porous,which facilitated the formation of a chemical conversion layer of Zn oleate(ZO)during OA *** Zn coating after passivation had a twolayer structure,which included an outer layer of ZO with a thickness of~26μm and an inner layer of Zn with a thickness of~6μ*** outer layer ZO is a type of metal soap with a smooth surface and durable hydrophobicity,such that water droplets can easily slip off its *** testing and electrochemical measurements in 3.5 wt.%NaCl aqueous solution indicate that the Zn coating after OA passivation exhibits outstanding anti‐corrosion properties compared with those exhibited by pure Zn *** corrosion products and mechanism of the two‐layer coating were *** study shows that smooth metal oleate coatings can provide hydrophobicity and corrosion resistance simultaneously to mild steel substrates.

关键词： Anti‐corrosion Electrodeposition Hydrophobic coating Passivation Zn oleate

Seasonal variations of mass absorption efficiency of elemental carbon in PM_(2.5) in urban Guangzhou of South China

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Journal of environmental Sciences 2023年第11期133卷 83-92页

作者： Chenglei Pei Yunfei Wu Jun Tao Leiming Zhang Tao Zhang Runqi Zhang Sheng Li State Key Laboratory of Organic Geochemistry and Guangdong Key Laboratory of environmental Protection and Resources Utilization Guangzhou Institute of GeochemistryChinese Academy of SciencesGuangzhou 510640China CAS center for Excellence in Deep Earth Science Guangzhou 510640China University of Chinese Academy of Sciences Beijing 100049China Guangzhou Sub-branch of Guangdong ecological and environmental monitoring center Guangzhou 518049China Key Laboratory of Middle Atmosphere and Global Environment Observation Institute of Atmospheric PhysicsChinese Academy of SciencesBeijing 100029China Institute for environmental and Climate Research Jinan UniversityGuangzhou 510632China Air Quality Research Division Science and Technology BranchEnvironment and Climate Change CanadaTorontoCanada Guangdong ecological and environmental monitoring center Guangzhou 510308China

This study investigates seasonal variations of mass absorption efficiency of elemental carbon(MAE_(EC))and possible influencing factors in urban Guangzhou of South *** concentrations of elemental carbon(EC)and organic carbon(OC)in PM_(2.5) and aerosol absorption coefficient(b_(ap))at multi-wavelengths were simultaneously measured in four seasons of 2018-2019 at hourly resolution by a semi-continuous carbon analyzer and an *** average mass concentrations of EC were in the range of 1.36-1.70μgC/m^(3) with a lower value in summer than in the other seasons,while those of OC were in the range of 4.70–6.49μgC/m^(3) with the lowest value in summer and the highest in *** exhaust from local traffic was identified to be the predominant source of carbonaceous *** average aerosol absorption Angstrom exponents(AAE)were lower than 1.2 in four seasons,indicating EC and b_(ap) were closely related with vehicle *** MAE EC at 550 nm was 11.0,8.5,10.4 and 11.3 m^(2)/g in spring,summer,autumn,and winter,*** MAE EC was related with the high mass ratio of non-carbonaceous aerosols to EC and high ambient relative humidity.

关键词： Vehicle exhaust Non-carbonaceous aerosols Absorption enhancement Relative humidity