Application of Quantitative Structure–Activity Relationships for Assessing the Aquatic Toxicity of Phthalate Esters

Parkerton, Thomas F.; Konkel, Wolfgang J.

doi:10.1006/eesa.1999.1841

Cited by 69 publications

(33 citation statements)

References 51 publications

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“…aliphatic, carbonyl-containing a,b-unsaturated chemicals) several domains emerged on a basis of substructure and toxicity [15]. Parkerton and Konkel [34] argue that low molecular weight phthalate esters with octanol -water partition coefficient (log K ow ) lower than six could be modelled with hydrophobicity alone, while high molecular weight phthalates with log K ow higher than six are not acutely or chronically toxic due to the combined effects of low water solubility and limited bioaccumulation potential. The phthalate domain is considered in more detail elsewhere [35] but the example shows that a number of physicochemical (and structural) properties can modify the estimate from a class-based (Q)SAR.…”

Section: (Q)sar Models For Chemical Classesmentioning

confidence: 99%

Review of (Quantitative) Structure–Activity Relationships for Acute Aquatic Toxicity

2008

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This paper reviews different approaches described in the literature for estimating the aquatic toxicity of chemical substances. It is based on an extended review performed by the European Chemicals Bureau of the European Commissions Joint Research Centre in support of the development of technical guidance for the implementation of the REACH legislation, and is one of a series of minireviews in this journal. The paper is organised by approach for (Q)SAR development and includes a review of: (i) (Q)SARs for acute aquatic toxicity by chemical class, (ii) (Q)SARs for acute aquatic toxicity by mode of action, (iii) review of statistically derived (Q)SARs, (iv) structural alerts for excess aquatic toxicity and (v) expert systems that combine structural rules and multiple (Q)SAR models to predict aquatic toxicological endpoints. Directions and recommendations for further research are also provided.

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Section: (Q)sar Models For Chemical Classesmentioning

confidence: 99%

Review of (Quantitative) Structure–Activity Relationships for Acute Aquatic Toxicity

2008

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“…Moreover, it has been demonstrated that most chemicals of PAEs can act as endocrine disruptors and lead to adverse effects on organisms even in a low concentration; for example the occurrence of reproductive and developmental disruptions in snails, fish, piscovorous birds, alligators, and sea animals [2,3]. Furthermore, they can also induce various etiological diseases of human, such as disorders of male reproductive tract, breast and testicular cancers, dysfunction of neuroendocrine system and so on [4,5]. Due to their wide application and high toxicity, some of the compounds belong to the chemicals list of endocrine disruptors issued by USEPA, World Wildlife Funds, and other agencies, as well as the priority control pollutants in USA, China and so on either [6].…”

Section: Introductionmentioning

confidence: 98%

Photochemical degradation of diethyl phthalate with UV/H2O2

Gao

Sun

et al. 2007

Journal of Hazardous Materials

150

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“…Human exposure to phthalate esters by the contamination of surface water and consumption of aquatic organisms is of concern (Kato et al 2005;Parkerton and Konkel 2000;Adams et al 1995). The order of toxicity found in a study involving the embryos and the larvae of abalone is dibutyl phthalate (DBP) > diethyl phthalate (DEP) > dimethyl phthalate (DMP) > diethylhexyl phthalate (DEHP; Yang et al 2009).…”

Section: Introductionmentioning

confidence: 99%

Flame ionization gas chromatographic determination of phthalate esters in water, surface sediments and fish species in the Ogun river catchments, Ketu, Lagos, Nigeria

Adeniyi

Okedeyi

Yusuf

2010

Environ Monit Assess

113

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The detection and quantification of four phthalate esters-dimethyl phthalate (DMP), diethyl phthalate (DEP), dibutyl phthalate (DBP), and diethylhexyl phthalate (DEHP)-in water, sediment, and some fish species were carried out using flame ionization gas chromatography. The samples were collected from the Ogun river catchments, Ketu, Lagos. The DMP was not detected in the water and fish samples but was detected in sediments collected from four of the six sampling sites. The concentration of DEP, DBP, and DEHP in the fish species ranged from 320.0-810.0, 380.0-1,080.0, and 40.0-150.0 μg/kg in Tilapia sp.; 310.0-860.0, 400.0-1,170.0, and 40.0-110.0 μg/kg in Chrysichthys sp.; and 320.0-810.0, 400.0-3,970.0, and 30.0-300.0 μg/kg (DEHP) in Synodontis sp.,respectively. The differences in fish phthalate levels are not statistically significant at p < 0.05, an indication that phthalate esters accumulation is not fish species dependent. The DEP, DBP, and DEHP values recorded are considerably higher than the maximum allowed concentrations for drinking water prescribed by the US Environmental Protection Agency. The phthalate pollution index and biosediment accumulation factor values were also calculated.

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Application of Quantitative Structure–Activity Relationships for Assessing the Aquatic Toxicity of Phthalate Esters

Cited by 69 publications

References 51 publications

Review of (Quantitative) Structure–Activity Relationships for Acute Aquatic Toxicity

Review of (Quantitative) Structure–Activity Relationships for Acute Aquatic Toxicity

Photochemical degradation of diethyl phthalate with UV/H2O2

Flame ionization gas chromatographic determination of phthalate esters in water, surface sediments and fish species in the Ogun river catchments, Ketu, Lagos, Nigeria

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