6533b82dfe1ef96bd1291371
RESEARCH PRODUCT
Modelling bioconcentration of pesticides in fish using biopartitioning micellar chromatography.
Laura Escuder-gilabertJ.m. Bermúdez-saldañaRosa María Villanueva-camañasMaría José Medina-hernándezSalvador Sagradosubject
Quantitative structure–activity relationshipChromatographyThreshold limit valueChemistryOrganic ChemistryFishesChromatography liquidQuantitative Structure-Activity RelationshipBioconcentrationGeneral MedicinePesticideBiochemistryHigh-performance liquid chromatographyAnalytical ChemistryEnvironmental chemistryFish <Actinopterygii>AnimalsEcotoxicityPesticidesChromatography Liquiddescription
Ecotoxicity assessment is essential before placing new chemical substances on the market. An investigation of the use of the chromatographic retention (log k) in biopartitioning micellar chromatography (BMC) as an in vitro approach to evaluate the bioconcentration factor (BCF) of pesticides in fish is proposed. A heterogeneous set of 85 pesticides from six chemical families was used. For pesticides exhibiting bioconcentration in fish (experimental log BCF > 2), a quantitative retention-activity relationships (QRAR) model is able to perform precise log BCF estimations of new pesticides. Considering the present data, the results based on log k seem to be more reliable than those from available software (BCFWIN and KOWWIN) and from log P (quantitative structure-activity relationships (QSAR)). It is also possible to perform risk assessment tasks fixing a threshold value for log k, which substitute two common threshold values, log P and experimental log BCF, avoiding the experimental problems related with these two parameters.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2005-02-11 | Journal of chromatography. A |