title: Chromatographic evaluation of the toxicity in fish of pesticides.
abstract: 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 toxicity in fish of pesticides (acute toxicity levels as pLC(50)) is proposed. A heterogeneous data set of 85 pesticides from six chemical families with available experimental fish toxicity data (ECOTOX database from U.S. Environmental Protection Agency (EPA)) was used. For pesticides exhibiting non-polar narcosis mechanism in fish (non-specific toxicity), more reliable models and precise pLC(50) estimations are obtained from log k (quantitative retention-activity relationships, QRAR) than from log P (quantitative structure-activity relationships, QSAR) or ECOSAR (ECOSAR program from U.S. EPA).
authors.affiliation: Departamento de Química Analítica, Facultat de Farmacia, Universitat de València, C/Vicente Andrés Estellés s/n E-46100, Burjassot, Valencia, Spain.
authors.forename: José María
authors.initials: JM
authors.lastname: Bermúdez-Saldaña
authors.forename: Laura
authors.initials: L
authors.lastname: Escuder-Gilabert
authors.forename: María José
authors.initials: MJ
authors.lastname: Medina-Hernández
authors.forename: Rosa María
authors.initials: RM
authors.lastname: Villanueva-Camañas
authors.forename: Salvador
authors.initials: S
authors.lastname: Sagrado
mesh_terms: D000818:Animals; D002853:Chromatography, Liquid / Q000379:methods*; D005399:Fishes; D010575:Pesticides / Q000737:chemistry / Q000633:toxicity*; D021281:Quantitative Structure-Activity Relationship; D013056:Spectrophotometry, Ultraviolet
chemical_list: D010575:Pesticides