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Volumn 52, Issue 8, 2009, Pages 1281-1286

Modeling the depuration rates of polychlorinated biphenyls in two mussel species with theoretical molecular descriptors

Author keywords

Depuration; Partial least squares (PLS); Polychlorinated biphenyls (PCBs); Quantitative structure activity relationship (QSAR)

Indexed keywords

DEPURATION; DESCRIPTORS; DREISSENA POLYMORPHA; MOLECULAR DESCRIPTORS; MOLECULAR SURFACE AREA; MOLECULAR VOLUME; MUSSEL SPECIES; PARTIAL LEAST SQUARES (PLS); PARTIAL LEAST-SQUARES REGRESSION; PERNA VIRIDIS; POLARIZABILITIES; PREDICTIVE ABILITIES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP (QSAR); QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS; STANDARD DEVIATION; TOTAL ENERGY; VAN DER WAALS INTERACTIONS; WATER PHASE;

EID: 68649116532     PISSN: 10069291     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11426-009-0042-y     Document Type: Article
Times cited : (1)

References (24)
  • 1
    • 0142259254 scopus 로고    scopus 로고
    • Dynamics of PCDDs/DFs and coplanar-PCBs in an aquatic food chain of Tokyo Bay
    • W. Naito J. C. Jin Y. S. Kang M. Yamamuro S. Masunaga J. Nakanishi 2003 Dynamics of PCDDs/DFs and coplanar-PCBs in an aquatic food chain of Tokyo Bay Chemosphere 53 4 347 362
    • (2003) Chemosphere , vol.53 , Issue.4 , pp. 347-362
    • Naito, W.1    Jin, J.C.2    Kang, Y.S.3    Yamamuro, M.4    Masunaga, S.5    Nakanishi, J.6
  • 2
    • 17644387620 scopus 로고    scopus 로고
    • Characterization of trophic transfer for polychlorinated dibenzo-pdioxins, dibenzofurans, non- and mono-ortho polychlorinated biphenyls in the marine food web of Bohai Bay, north China
    • Y. Wan J. Y. Hu M. Yang L. H. An W. An X. H. Jin T. Hattori M. Itoh 2005 Characterization of trophic transfer for polychlorinated dibenzo-pdioxins, dibenzofurans, non- and mono-ortho polychlorinated biphenyls in the marine food web of Bohai Bay, north China Environ Sci Technol 39 8 2417 2425
    • (2005) Environ Sci Technol , vol.39 , Issue.8 , pp. 2417-2425
    • Wan, Y.1    Hu, J.Y.2    Yang, M.3    An, L.H.4    An, W.5    Jin, X.H.6    Hattori, T.7    Itoh, M.8
  • 3
    • 0024997614 scopus 로고
    • Polychlorinated biphenyls (PCBs), dibenzo-p-dioxins (PCDDs), dibenzofurans (PCDFs) and related compounds: Environmental and mechanistic considerations which support the development of toxic equivalency factors (TEFs)
    • S. Safe 1990 Polychlorinated biphenyls (PCBs), dibenzo-p-dioxins (PCDDs), dibenzofurans (PCDFs) and related compounds: Environmental and mechanistic considerations which support the development of toxic equivalency factors (TEFs) Cri Rev Toxicol 21 1 51 58
    • (1990) Cri Rev Toxicol , vol.21 , Issue.1 , pp. 51-58
    • Safe, S.1
  • 4
    • 3042787684 scopus 로고    scopus 로고
    • Toxicokinetics of PCDD, PCDF, and coplanar PCB congeners in Baikal Seals, Pusa sibirica: Age-related accumulation, maternal transfer, and hepatic sequestration
    • H. Iwata M. Watanabe Y. Okajima S. Tanabe M. Amano N. Miyazaki E. A. Petrov 2004 Toxicokinetics of PCDD, PCDF, and coplanar PCB congeners in Baikal Seals, Pusa sibirica: Age-related accumulation, maternal transfer, and hepatic sequestration Environ Sci Technol 38 18 3505 3513
    • (2004) Environ Sci Technol , vol.38 , Issue.18 , pp. 3505-3513
    • Iwata, H.1    Watanabe, M.2    Okajima, Y.3    Tanabe, S.4    Amano, M.5    Miyazaki, N.6    Petrov, E.A.7
  • 6
    • 38849208457 scopus 로고    scopus 로고
    • Evaluation of several priority pollutants in zebra mussels (Dreissena polymorpha) in the largest Italian subalpine lakes
    • C. Riva A. Binelli A. Provini 2008 Evaluation of several priority pollutants in zebra mussels (Dreissena polymorpha) in the largest Italian subalpine lakes Environ Pollut 151 3 652 662
    • (2008) Environ Pollut , vol.151 , Issue.3 , pp. 652-662
    • Riva, C.1    Binelli, A.2    Provini, A.3
  • 7
    • 0029529074 scopus 로고
    • Elimination rate constants of 36 PCBs in zebra mussels (Dreissena polymorpha) and exposure dynamics in the Lake St. Clair-Lake Erie corridor
    • H. Morrison T. Yankovich R. Lazar G. D. Haffner 1995 Elimination rate constants of 36 PCBs in zebra mussels (Dreissena polymorpha) and exposure dynamics in the Lake St. Clair-Lake Erie corridor Can J Fish Aquat Sci 52 12 2574 2582
    • (1995) Can J Fish Aquat Sci , vol.52 , Issue.12 , pp. 2574-2582
    • Morrison, H.1    Yankovich, T.2    Lazar, R.3    Haffner, G.D.4
  • 8
    • 0030905221 scopus 로고    scopus 로고
    • Uptake and depuration kinetics and BCFs of several pesticides in three species of shellfish (Corbicula leana, Corbicula japonica, and Cipangopludina chinensis): Comparison between field and laboratory experiment
    • S. Uno H. Shiraishi S. Hatakeyama A. Otsuki 1997 Uptake and depuration kinetics and BCFs of several pesticides in three species of shellfish (Corbicula leana, Corbicula japonica, and Cipangopludina chinensis): Comparison between field and laboratory experiment Aquat Toxicol 39 1 23 43
    • (1997) Aquat Toxicol , vol.39 , Issue.1 , pp. 23-43
    • Uno, S.1    Shiraishi, H.2    Hatakeyama, S.3    Otsuki, A.4
  • 9
    • 0035126733 scopus 로고    scopus 로고
    • Prediction of partition coefficient and toxicity for benzaldehyde compounds by their capacity factors and various molecular descriptors
    • J. Y. Dai L. J. Jin S. C. Yao L. S. Wang 2001 Prediction of partition coefficient and toxicity for benzaldehyde compounds by their capacity factors and various molecular descriptors Chemosphere 42 8 899 907
    • (2001) Chemosphere , vol.42 , Issue.8 , pp. 899-907
    • Dai, J.Y.1    Jin, L.J.2    Yao, S.C.3    Wang, L.S.4
  • 10
    • 0034886230 scopus 로고    scopus 로고
    • Progressive study and robustness test of QSAR model based on quantum chemical parameters for predicting BCF of selected polychlorinated organic compounds
    • D. B. Wei A. Q. Zhang C. D. Wu S. K. Han L. S. Wang 2001 Progressive study and robustness test of QSAR model based on quantum chemical parameters for predicting BCF of selected polychlorinated organic compounds Chemosphere 44 6 1421 1428
    • (2001) Chemosphere , vol.44 , Issue.6 , pp. 1421-1428
    • Wei, D.B.1    Zhang, A.Q.2    Wu, C.D.3    Han, S.K.4    Wang, L.S.5
  • 11
    • 21444448435 scopus 로고    scopus 로고
    • 2D/3D-QSAR comparative study on mutagenicity of nitroaromatics
    • X. D. Wang Z. F. Lin D. Q. Yin S. S. Liu L. S. Wang 2005 2D/3D-QSAR comparative study on mutagenicity of nitroaromatics Sci China Ser B-Chem 48 3 246 252
    • (2005) Sci China ser B-Chem , vol.48 , Issue.3 , pp. 246-252
    • Wang, X.D.1    Lin, Z.F.2    Yin, D.Q.3    Liu, S.S.4    Wang, L.S.5
  • 12
    • 28544436321 scopus 로고    scopus 로고
    • w) of alkyl (1-phenylsulfonyl) cycloalkane-carboxylates using MLSER model and ab initio
    • w) of alkyl (1-phenylsulfonyl) cycloalkane-carboxylates using MLSER model and ab initio Chemosphere 62 3 349 356
    • (2006) Chemosphere , vol.62 , Issue.3 , pp. 349-356
    • Wang, Z.Y.1    Han, X.Y.2    Zhai, Z.C.3
  • 13
    • 45749140080 scopus 로고    scopus 로고
    • Progress and perspectives of quantitative structure-activity relationships used for ecological risk assessment of toxic organic compounds
    • J. W. Chen X. H. Li H. Y. Yu Y. N. Wang X. L. Qiao 2008 Progress and perspectives of quantitative structure-activity relationships used for ecological risk assessment of toxic organic compounds Sci China Ser B-Chem 51 7 593 606
    • (2008) Sci China ser B-Chem , vol.51 , Issue.7 , pp. 593-606
    • Chen, J.W.1    Li, X.H.2    Yu, H.Y.3    Wang, Y.N.4    Qiao, X.L.5
  • 14
    • 0030762097 scopus 로고    scopus 로고
    • Using MTLSER model and am1 hamiltonian in quantitative structure-activity relationship studies of alkyl (1- phenylsulfonyl) cycloalkane-carboxylates
    • J. W. Chen L. S. Wang 1997 Using MTLSER model and am1 hamiltonian in quantitative structure-activity relationship studies of alkyl (1- phenylsulfonyl) cycloalkane-carboxylates Chemosphere 35 3 623 631
    • (1997) Chemosphere , vol.35 , Issue.3 , pp. 623-631
    • Chen, J.W.1    Wang, L.S.2
  • 15
    • 0343986486 scopus 로고    scopus 로고
    • Simple linear QSAR models based on quantum similarity measures
    • L. Amat R. Carbó-Dorca 1999 Simple linear QSAR models based on quantum similarity measures J Med Chem 42 25 5169 5180
    • (1999) J Med Chem , vol.42 , Issue.25 , pp. 5169-5180
    • Amat, L.1    Carbó-Dorca, R.2
  • 16
    • 0037207643 scopus 로고    scopus 로고
    • Acute toxicity and quantitative structure-activity relationships of α-branched phenylsulfonyl acetates to Daphnia magna
    • X. H. Liu B. Wang Z. Huang S. K. Han L. S. Wang 2003 Acute toxicity and quantitative structure-activity relationships of α-branched phenylsulfonyl acetates to Daphnia magna Chemosphere 50 3 403 408
    • (2003) Chemosphere , vol.50 , Issue.3 , pp. 403-408
    • Liu, X.H.1    Wang, B.2    Huang, Z.3    Han, S.K.4    Wang, L.S.5
  • 17
    • 0035965476 scopus 로고    scopus 로고
    • PLS-regression: A basic tool of chemometrics
    • W. Svante S. Michael E. Lennart 2001 PLS-regression: a basic tool of chemometrics Chemometr Intell Lab 58 1 109 130
    • (2001) Chemometr Intell Lab , vol.58 , Issue.1 , pp. 109-130
    • Svante, W.1    Michael, S.2    Lennart, E.3
  • 18
    • 0023520579 scopus 로고
    • Mussels as bioindicators of PCB pollution: A case study on uptake and release of PCB isomers and congeners in green-lipped mussels (Perna viridis) in Hong Kong Waters
    • S. Tanabe R. Tatsukawa 1987 Mussels as bioindicators of PCB pollution: a case study on uptake and release of PCB isomers and congeners in green-lipped mussels (Perna viridis) in Hong Kong Waters Environ Pollut 47 1 41 62
    • (1987) Environ Pollut , vol.47 , Issue.1 , pp. 41-62
    • Tanabe, S.1    Tatsukawa, R.2
  • 19
    • 24444468650 scopus 로고
    • Ground states of molecules 38 the MNDO method approximations and parameters
    • M. J. S. Dewar W. Thiel 1977 Ground states of molecules 38 the MNDO method approximations and parameters J Am Chem Soc 99 15 4899 4907
    • (1977) J Am Chem Soc , vol.99 , Issue.15 , pp. 4899-4907
    • Dewar, M.J.S.1    Thiel, W.2
  • 20
    • 0000538815 scopus 로고
    • Analytical molecular surface calculation
    • M. L. Connolly 1983 Analytical molecular surface calculation J Appl Crystallogr 16 11 548 558
    • (1983) J Appl Crystallogr , vol.16 , Issue.11 , pp. 548-558
    • Connolly, M.L.1
  • 21
    • 84919226766 scopus 로고
    • A proposal: Exchange equilibria control the degree chlorinated hydrocarbons are biologically magnified in lentic environments
    • J. L. Hamelink R. C. Waybrant R. C. Ball 1971 A proposal: exchange equilibria control the degree chlorinated hydrocarbons are biologically magnified in lentic environments Trans Amer Fish Soc 100 1 207 214
    • (1971) Trans Amer Fish Soc , vol.100 , Issue.1 , pp. 207-214
    • Hamelink, J.L.1    Waybrant, R.C.2    Ball, R.C.3
  • 22
    • 0020128914 scopus 로고
    • Correlation of bioconcentration factors
    • D. Mackay 1982 Correlation of bioconcentration factors Environ Sci Technol 16 5 274 278
    • (1982) Environ Sci Technol , vol.16 , Issue.5 , pp. 274-278
    • MacKay, D.1
  • 23
    • 0032144094 scopus 로고    scopus 로고
    • PAHs in Arcachon Bay, France: Origin and biomonitoring with caged organisms
    • P. Baumard H. Budzinski P. Garrigues 1998 PAHs in Arcachon Bay, France: Origin and biomonitoring with caged organisms Mar Pollut Bull 36 8 577 586
    • (1998) Mar Pollut Bull , vol.36 , Issue.8 , pp. 577-586
    • Baumard, P.1    Budzinski, H.2    Garrigues, P.3
  • 24
    • 0028183668 scopus 로고
    • The role of the zebra mussels, dreissena polymorpha, in contaminant cycling: II zebra mussel contaminant accumulation from algae and suspended particles, and transfer to the benthic invertebrate, gammarus fasciatus
    • K. A. Bruner S. W. Fisher P. F. Landrum 1994 The role of the zebra mussels, dreissena polymorpha, in contaminant cycling: II zebra mussel contaminant accumulation from algae and suspended particles, and transfer to the benthic invertebrate, gammarus fasciatus J Great Lakes Res. 20 6 735 750
    • (1994) J Great Lakes Res. , vol.20 , Issue.6 , pp. 735-750
    • Bruner, K.A.1    Fisher, S.W.2    Landrum, P.F.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.