Modelling bioconcentration of pesticides in fish using biopartitioning micellar chromatography

Permeability and toxicological profile estimation of organochlorine compounds by biopartitioning micellar chromatography

“…According to the Directive 93/21/EEC, related to the classification, packaging and labeling of dangerous substances, compounds with log P ≥ 3 and log BCF > 2 may cause long-term adverse effects in the aquatic environment and they are labeled as R53 for risk identification. In a previous paper a linear relationship between log BCF values and logk in BMC was established and a single threshold value for R53 assessment based on retention in BMC [log k(0.04M) > 1.85] was proposed (Bermúdez-Saldaña et al, 2005b). According to this model, all organochlorine compounds, except chlorobenzene and dicloran, can provoke longterm adverse effects in the aquatic environment and can be classified as R53.…”

“…These programmes are integrated in the EPI Suite software (developed by Syracuse Research Corporation for the US Enviromental Protection Agency). Table 2 summarizes previously developed and validated QRAR models based on BMC retention in standard analytical columns to estimate passive transport of xenobiotics through different biological barriers-gastrointestinal tract (Molero-Monfort et al, 2001); blood-brain barrier (Escuder-Gilabert et al, 2004) and skin (Martínez-Pla et al, 2003)-as well as developed and validated QRAR models for predicting the ecotoxicological parameters-lethal concentration to rainbow trout (96 h test) for compounds with non-polar narcosis mechanism of toxic action (Bermúdez-Saldaña et al, 2005a) and the bioconcentration factor in fish for R53-compounds according to the Directive 93/21/ EEC of the Commission of the European Communities (Commission of the European Communities, 1993;Bermúdez-Saldaña et al, 2005b).…”

The QRAR model study of β-lactam antibiotics by capillary coated with cell membrane

“…Medina-Hernandez and co-workers developed a Brij35 MLC system as biopartitioning micellar chromatography (BMC) [1]. The BMC system was used to predict different pharmacological behaviors of drugs such as toxicity [2,3], absorption [4], bioconcentration [5] and blood-brain barrier [6]. Recently, BMC was used to evaluate quantitative structure-property relationships for pesticides [7].…”

Quantitative Retention‐Activity Relationship Studies by Liposome Electrokinetic Chromatography to Predict Skin Permeability

“…The application of chromatographic parameters to QSAR gives rise to a new field, quantitative retention-activity relationship (QRAR). [10][11][12][13] The predictive and interpretative capability of QRAR is supported by the fact that under adequate experimental conditions the solute partitioning into chromatographic system can emulate the solute partitioning into lipid bilayers of biological membranes. Successful applications of immobilized artificial membrane (IAM) [14][15][16][17] and biopartitioning micellar chromatography (BMC) 18,19 to describe skin permeability to construct QRAR models were established.…”