Prediction of mixture toxicity with its total hydrophobicity

Zhifen Lin; Hongxia Yu; Dongbin Wei; Gehui Wang; Jianfang Feng; Liansheng Wang

doi:10.1016/S0045-6535(01)00083-2

Prediction of mixture toxicity with its total hydrophobicity

Zhifen Lin
, Hongxia Yu
, Dongbin Wei
, Gehui Wang
, Jianfang Feng
, Liansheng Wang^*

^*Corresponding author for this work

Nanjing University

Research output: Contribution to journal › Article › peer-review

38 Scopus citations

Abstract

Based on the C₈ Empore™ disk/water partition coefficient of a mixture, quantitative structure-activity relationships (QSARs) are presented, which are used to predict the toxicity of mixed halogenated benzenes to P. phosphoreum. The predicted toxicity of 10 other related mixtures based on the QSAR model, agree well with the observed data with r² = 0.973, SE = 0.113 and F = 287.785 at a level of significance P < 0.0001. The joint effect of these chemicals is simple similar action and the toxicity of the mixtures can be predicted from total hydrophobicity and is independent of hydrophobicity of the components or the ratio of the individual chemicals.

Original language	English
Pages (from-to)	305-310
Number of pages	6
Journal	Chemosphere
Volume	46
Issue number	2
DOIs	https://doi.org/10.1016/S0045-6535(01)00083-2
State	Published - 2002
Externally published	Yes

Keywords

Halogenated benzenes
Mixture toxicity
Partition coefficients of mixtures
QSARs models

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10.1016/S0045-6535(01)00083-2

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title = "Prediction of mixture toxicity with its total hydrophobicity",

abstract = "Based on the C8 Empore{\texttrademark} disk/water partition coefficient of a mixture, quantitative structure-activity relationships (QSARs) are presented, which are used to predict the toxicity of mixed halogenated benzenes to P. phosphoreum. The predicted toxicity of 10 other related mixtures based on the QSAR model, agree well with the observed data with r2 = 0.973, SE = 0.113 and F = 287.785 at a level of significance P < 0.0001. The joint effect of these chemicals is simple similar action and the toxicity of the mixtures can be predicted from total hydrophobicity and is independent of hydrophobicity of the components or the ratio of the individual chemicals.",

keywords = "Halogenated benzenes, Mixture toxicity, Partition coefficients of mixtures, QSARs models",

author = "Zhifen Lin and Hongxia Yu and Dongbin Wei and Gehui Wang and Jianfang Feng and Liansheng Wang",

year = "2002",

doi = "10.1016/S0045-6535(01)00083-2",

language = "英语",

volume = "46",

pages = "305--310",

journal = "Chemosphere",

issn = "0045-6535",

publisher = "Elsevier Ltd",

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TY - JOUR

T1 - Prediction of mixture toxicity with its total hydrophobicity

AU - Lin, Zhifen

AU - Yu, Hongxia

AU - Wei, Dongbin

AU - Wang, Gehui

AU - Feng, Jianfang

AU - Wang, Liansheng

PY - 2002

Y1 - 2002

N2 - Based on the C8 Empore™ disk/water partition coefficient of a mixture, quantitative structure-activity relationships (QSARs) are presented, which are used to predict the toxicity of mixed halogenated benzenes to P. phosphoreum. The predicted toxicity of 10 other related mixtures based on the QSAR model, agree well with the observed data with r2 = 0.973, SE = 0.113 and F = 287.785 at a level of significance P < 0.0001. The joint effect of these chemicals is simple similar action and the toxicity of the mixtures can be predicted from total hydrophobicity and is independent of hydrophobicity of the components or the ratio of the individual chemicals.

AB - Based on the C8 Empore™ disk/water partition coefficient of a mixture, quantitative structure-activity relationships (QSARs) are presented, which are used to predict the toxicity of mixed halogenated benzenes to P. phosphoreum. The predicted toxicity of 10 other related mixtures based on the QSAR model, agree well with the observed data with r2 = 0.973, SE = 0.113 and F = 287.785 at a level of significance P < 0.0001. The joint effect of these chemicals is simple similar action and the toxicity of the mixtures can be predicted from total hydrophobicity and is independent of hydrophobicity of the components or the ratio of the individual chemicals.

KW - Halogenated benzenes

KW - Mixture toxicity

KW - Partition coefficients of mixtures

KW - QSARs models

UR - https://www.scopus.com/pages/publications/0036141845

U2 - 10.1016/S0045-6535(01)00083-2

DO - 10.1016/S0045-6535(01)00083-2

M3 - 文章

C2 - 11827289

AN - SCOPUS:0036141845

SN - 0045-6535

VL - 46

SP - 305

EP - 310

JO - Chemosphere

JF - Chemosphere

IS - 2

ER -

Prediction of mixture toxicity with its total hydrophobicity

Abstract

Keywords

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