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Volumn 68, Issue 4, 2007, Pages 695-702

QSPR analysis of the toxicity of aromatic compounds to the algae (Scenedesmus obliquus)

Author keywords

Benzene derivatives; EC50; Semi empirical molecular descriptors; The CRI

Indexed keywords

ALGAE; DERIVATIVES; QUANTUM CHEMISTRY; REGRESSION ANALYSIS; SUBSTITUTION REACTIONS; TOXICITY;

EID: 34247146858     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2007.01.043     Document Type: Article
Times cited : (14)

References (31)
  • 1
    • 33748905333 scopus 로고    scopus 로고
    • Model for aqueous solvation based on class IV atomic charges and first solvation shell effects
    • Chambers C.C., Hawkins G.D., Cramer C.J., and Truhlar D.G. Model for aqueous solvation based on class IV atomic charges and first solvation shell effects. J. Phys. Chem. 100 (1996) 16385
    • (1996) J. Phys. Chem. , vol.100 , pp. 16385
    • Chambers, C.C.1    Hawkins, G.D.2    Cramer, C.J.3    Truhlar, D.G.4
  • 2
    • 0031868433 scopus 로고    scopus 로고
    • Quantitative structure-activity analyses of nitrobenzene toxicity to Tetrahymena pyriformis
    • Cronin M.T.D., Gregory B.W., and Schultz T.W. Quantitative structure-activity analyses of nitrobenzene toxicity to Tetrahymena pyriformis. Chem. Res. Toxicol. 11 (1998) 902-908
    • (1998) Chem. Res. Toxicol. , vol.11 , pp. 902-908
    • Cronin, M.T.D.1    Gregory, B.W.2    Schultz, T.W.3
  • 3
    • 0029760622 scopus 로고    scopus 로고
    • Comparison of BCF models based on log P
    • Devillers J., Bintein S., and Domine D. Comparison of BCF models based on log P. Chemosphere 33 (1996) 1047-1065
    • (1996) Chemosphere , vol.33 , pp. 1047-1065
    • Devillers, J.1    Bintein, S.2    Domine, D.3
  • 4
    • 0019258841 scopus 로고
    • Confidence interval estimators for parameters associated with quantitative structure-activity relationships
    • Dietrich D.W., Dreyer N.D., and Hansch C.J. Confidence interval estimators for parameters associated with quantitative structure-activity relationships. J. Med. Chem. 23 (1980) 1201-1205
    • (1980) J. Med. Chem. , vol.23 , pp. 1201-1205
    • Dietrich, D.W.1    Dreyer, N.D.2    Hansch, C.J.3
  • 5
    • 0032842090 scopus 로고    scopus 로고
    • Prediction of fathead minnow acute toxicity of organic compounds from molecular structure
    • Eldred D.V., Weikel C.L., Jurs P.C., and Kaiser K.L.E. Prediction of fathead minnow acute toxicity of organic compounds from molecular structure. Chem. Res. Toxicol. 12 (1999) 670-678
    • (1999) Chem. Res. Toxicol. , vol.12 , pp. 670-678
    • Eldred, D.V.1    Weikel, C.L.2    Jurs, P.C.3    Kaiser, K.L.E.4
  • 6
    • 0842326730 scopus 로고    scopus 로고
    • A novel approach to predict a toxicological property of aromatic compounds in the Tetrahymena pyriformis
    • Gonzalez M.P., Diaz H.G., Cabrera M.A., and Ruiz R.M. A novel approach to predict a toxicological property of aromatic compounds in the Tetrahymena pyriformis. Bioorg. Med. Chem. 12 (2004) 735-744
    • (2004) Bioorg. Med. Chem. , vol.12 , pp. 735-744
    • Gonzalez, M.P.1    Diaz, H.G.2    Cabrera, M.A.3    Ruiz, R.M.4
  • 7
    • 0642340968 scopus 로고    scopus 로고
    • Acute toxicity of benzene derivatives to the tadpoles (Rana japonica) and QSAR analyses
    • Huang H., Wang X., Ou W., Zhao J., Shao Y., and Wang L. Acute toxicity of benzene derivatives to the tadpoles (Rana japonica) and QSAR analyses. Chemosphere 53 (2003) 963-970
    • (2003) Chemosphere , vol.53 , pp. 963-970
    • Huang, H.1    Wang, X.2    Ou, W.3    Zhao, J.4    Shao, Y.5    Wang, L.6
  • 8
    • 0029813829 scopus 로고    scopus 로고
    • Quantum-chemical descriptors for estimating the acute toxicity of substituted benzenes to the guppy (Poecilia reticulata) and fathead minnow (Pimephales promelas)
    • Karabunarliev S., Mekenyan O.G., Karcher W., Russom C.L., and Bradbury S.P. Quantum-chemical descriptors for estimating the acute toxicity of substituted benzenes to the guppy (Poecilia reticulata) and fathead minnow (Pimephales promelas). Quant. Struct.-Act. Relat. 15 (1996) 311-320
    • (1996) Quant. Struct.-Act. Relat. , vol.15 , pp. 311-320
    • Karabunarliev, S.1    Mekenyan, O.G.2    Karcher, W.3    Russom, C.L.4    Bradbury, S.P.5
  • 10
    • 0034963339 scopus 로고    scopus 로고
    • QSAR study on the toxicity of substituted benzenes to the algae (Scenedesmus obliquus)
    • Lu G.H., Yuan X., and Zhao Y.H. QSAR study on the toxicity of substituted benzenes to the algae (Scenedesmus obliquus). Chemosphere 44 (2001) 437-440
    • (2001) Chemosphere , vol.44 , pp. 437-440
    • Lu, G.H.1    Yuan, X.2    Zhao, Y.H.3
  • 11
    • 0038748369 scopus 로고    scopus 로고
    • Quantitative structure-toxicity relationships for substituted aromatic compounds to Vibrio fischeri
    • Lu G.H., Yuan X., and Wang C. Quantitative structure-toxicity relationships for substituted aromatic compounds to Vibrio fischeri. Bull. Environ.Contam. Toxicol. 70 (2003) 832-838
    • (2003) Bull. Environ.Contam. Toxicol. , vol.70 , pp. 832-838
    • Lu, G.H.1    Yuan, X.2    Wang, C.3
  • 12
    • 0034774701 scopus 로고    scopus 로고
    • 50) of organic compounds to the fathead minnow (Pimephales promelas) using a group contribution method
    • 50) of organic compounds to the fathead minnow (Pimephales promelas) using a group contribution method. Chem. Res. Toxicol. 14 (2001) 1378-1385
    • (2001) Chem. Res. Toxicol. , vol.14 , pp. 1378-1385
    • Martin, T.M.1    Young, D.M.2
  • 13
    • 0026078787 scopus 로고
    • QSAR modeling of the ERL-D fathead minnow acute toxicity database
    • Nendza M., and Russom C.L. QSAR modeling of the ERL-D fathead minnow acute toxicity database. Xenobiotica 21 (1991) 147-170
    • (1991) Xenobiotica , vol.21 , pp. 147-170
    • Nendza, M.1    Russom, C.L.2
  • 14
    • 1542635880 scopus 로고    scopus 로고
    • QSAR analysis of the toxicity of aromatic compounds to Chlorella vulgaris in a novel short-term assay
    • Netzeva T.I., Dearden J.C., Edwards R., Worgan A.D.P., and Cronin M.T.D. QSAR analysis of the toxicity of aromatic compounds to Chlorella vulgaris in a novel short-term assay. J. Chem. Inf. Comput. Sci. 44 (2004) 258-265
    • (2004) J. Chem. Inf. Comput. Sci. , vol.44 , pp. 258-265
    • Netzeva, T.I.1    Dearden, J.C.2    Edwards, R.3    Worgan, A.D.P.4    Cronin, M.T.D.5
  • 16
    • 0032145828 scopus 로고    scopus 로고
    • Acute toxicity of polar narcotics to three aquatic species (Daphnia magna, Poecilia reticulata and Lymnaea stagnalis) and its relation to hydrophobicity
    • Ramos E.U., Vermeer C., Vaes W.H.J., and Hermens J.L.P. Acute toxicity of polar narcotics to three aquatic species (Daphnia magna, Poecilia reticulata and Lymnaea stagnalis) and its relation to hydrophobicity. Chemosphere 4 (1998) 633-650
    • (1998) Chemosphere , vol.4 , pp. 633-650
    • Ramos, E.U.1    Vermeer, C.2    Vaes, W.H.J.3    Hermens, J.L.P.4
  • 17
    • 0029663599 scopus 로고    scopus 로고
    • Prediction of the soil sorption coefficient of organic pollutants by the characteristic root index model
    • Saçan M.T., and Balci{dotless}oǧlu I.A. Prediction of the soil sorption coefficient of organic pollutants by the characteristic root index model. Chemosphere 32 (1996) 1993-2001
    • (1996) Chemosphere , vol.32 , pp. 1993-2001
    • Saçan, M.T.1    Balcioǧlu, I.A.2
  • 18
    • 0032007685 scopus 로고    scopus 로고
    • Estimation of liquid vapor pressures for low volatility environmental chemicals
    • Saçan M.T., and Balci{dotless}oǧlu I.A. Estimation of liquid vapor pressures for low volatility environmental chemicals. Chemosphere 36 (1998) 451-460
    • (1998) Chemosphere , vol.36 , pp. 451-460
    • Saçan, M.T.1    Balcioǧlu, I.A.2
  • 19
    • 0343203563 scopus 로고
    • Prediction of aqueous solubility of PCBs related to molecular structure
    • Saçan M.T., and İnel Y. Prediction of aqueous solubility of PCBs related to molecular structure. Turk. J. Chem. 17 (1993) 188-195
    • (1993) Turk. J. Chem. , vol.17 , pp. 188-195
    • Saçan, M.T.1    Inel, Y.2
  • 20
    • 0028974248 scopus 로고
    • Application of the characteristic root index model to the estimation of octanol/water partition coefficients: polychlorinated biphenyls
    • Saçan M.T., and İnel Y. Application of the characteristic root index model to the estimation of octanol/water partition coefficients: polychlorinated biphenyls. Chemosphere 30 (1995) 39-50
    • (1995) Chemosphere , vol.30 , pp. 39-50
    • Saçan, M.T.1    Inel, Y.2
  • 21
    • 2942722785 scopus 로고    scopus 로고
    • QSPR study on the bioconcentration factors of nonionic organic compounds in fish by characteristic root index and semiempirical molecular descriptors
    • Saçan M.T., Erdem S.S., Özpi{dotless}nar G.A., and Balci{dotless}oǧlu I.A. QSPR study on the bioconcentration factors of nonionic organic compounds in fish by characteristic root index and semiempirical molecular descriptors. J. Chem. Inf. Comput. Sci. 44 (2003) 985-992
    • (2003) J. Chem. Inf. Comput. Sci. , vol.44 , pp. 985-992
    • Saçan, M.T.1    Erdem, S.S.2    Özpinar, G.A.3    Balcioǧlu, I.A.4
  • 22
    • 30944469141 scopus 로고    scopus 로고
    • Physico-chemical properties of PCDD/PCDFs and phthalate esters
    • Saçan M.T., Özkul M., and Erdem S.S. Physico-chemical properties of PCDD/PCDFs and phthalate esters. SAR QSAR Environ. Res. 16 (2005) 443-459
    • (2005) SAR QSAR Environ. Res. , vol.16 , pp. 443-459
    • Saçan, M.T.1    Özkul, M.2    Erdem, S.S.3
  • 24
    • 34247135651 scopus 로고    scopus 로고
    • Spartan 04, Windows, Wavefunction, Inc. 18401 Von Karman Avenue, Suite 370, Irvine, CA 92612 USA.
  • 25
    • 84988129057 scopus 로고
    • Optimization of parameters for semiempirical methods
    • Stewart J.J.P. Optimization of parameters for semiempirical methods. J. Comput. Chem. 10 (1989) 209-220
    • (1989) J. Comput. Chem. , vol.10 , pp. 209-220
    • Stewart, J.J.P.1
  • 26
    • 0037074764 scopus 로고    scopus 로고
    • QSAR modeling of toxicity on optimization of correlation weights of Morgan extended connectivity
    • Toropov A.A., and Toropova A.P. QSAR modeling of toxicity on optimization of correlation weights of Morgan extended connectivity. J. Mol. Struct. (THEOCHEM) 578 (2002) 129-134
    • (2002) J. Mol. Struct. (THEOCHEM) , vol.578 , pp. 129-134
    • Toropov, A.A.1    Toropova, A.P.2
  • 27
    • 0033938744 scopus 로고    scopus 로고
    • Quantitative structure-activity relationships for the toxicity to the Tadpole Rana japonica of selected phenols
    • Wang X., Dong Y., Wang L., and Han S. Quantitative structure-activity relationships for the toxicity to the Tadpole Rana japonica of selected phenols. Bull. Environ. Contam. Toxicol. 64 (2000) 859-865
    • (2000) Bull. Environ. Contam. Toxicol. , vol.64 , pp. 859-865
    • Wang, X.1    Dong, Y.2    Wang, L.3    Han, S.4
  • 28
    • 0035988293 scopus 로고    scopus 로고
    • Quantitative structure-activity relationships for the toxicity of nitrobenzenes to Tetrahymena thermophila
    • Xu J.B., Jing T.S., Pauli W., and Berger S. Quantitative structure-activity relationships for the toxicity of nitrobenzenes to Tetrahymena thermophila. J. Environ. Sci. Health A. 37 (2002) 563-571
    • (2002) J. Environ. Sci. Health A. , vol.37 , pp. 563-571
    • Xu, J.B.1    Jing, T.S.2    Pauli, W.3    Berger, S.4
  • 29
    • 15244344934 scopus 로고    scopus 로고
    • Quantitative structure-activity relationships of nitroaromatics toxicity to the algae (Scenedesmus obliquus)
    • Yan X.F., Xiao H.M., Gong X.D., and Ju X.H. Quantitative structure-activity relationships of nitroaromatics toxicity to the algae (Scenedesmus obliquus). Chemosphere 59 (2005) 467-471
    • (2005) Chemosphere , vol.59 , pp. 467-471
    • Yan, X.F.1    Xiao, H.M.2    Gong, X.D.3    Ju, X.H.4
  • 30
    • 0031474911 scopus 로고    scopus 로고
    • QSAR study of the toxicity of nitrobenzenes to river bacteria and Photobacterium phosphoreum
    • Yuan X., Lu G.H., and Lang P.Z. QSAR study of the toxicity of nitrobenzenes to river bacteria and Photobacterium phosphoreum. Bull. Environ. Contam. Toxicol. 58 (1997) 123-127
    • (1997) Bull. Environ. Contam. Toxicol. , vol.58 , pp. 123-127
    • Yuan, X.1    Lu, G.H.2    Lang, P.Z.3
  • 31
    • 0030902946 scopus 로고    scopus 로고
    • Quantitative structure-activity relationships of nitroaromatic compounds to four aquatic organisms
    • Zhao Y.H., Yuan X., and Ji G.D. Quantitative structure-activity relationships of nitroaromatic compounds to four aquatic organisms. Chemosphere 34 (1997) 1837-1844
    • (1997) Chemosphere , vol.34 , pp. 1837-1844
    • Zhao, Y.H.1    Yuan, X.2    Ji, G.D.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.