6533b857fe1ef96bd12b44a5

RESEARCH PRODUCT

Biopartitioning micellar chromatography to pedict mutagenicity of aromatic amines

Rosa María Villanueva-camañasM.j. Medina-hernándezS. Torres-cartasSalvador SagradoYolanda Martín-biosca

subject

Chronic exposureQuantitative structure–activity relationshipPredictive capabilityQuantitative Structure-Activity RelationshipAromatic aminesHigh-performance liquid chromatographyModels BiologicalMutagenicityDrug DiscoveryQUIMICA ANALITICAOrganic chemistryComputer SimulationAminesLeast-Squares AnalysisMicellesPharmacologychemistry.chemical_classificationChromatographyChromatographyOrganic ChemistryAromatic amineGeneral MedicineBiopartitioning micellar chromatographychemistryMicellar liquid chromatographyMutagenesisQuantitative retentione-activity relationships

description

[EN] Mutagenicity is a toxicity endpoint associated with the chronic exposure to chemicals. Aromatic amines have considerable industrial and environmental importance due to their widespread use in industry and their mutagenic capacity. Biopartitioning micellar chromatography (BMC), a mode of micellar liquid chromatography that uses micellar mobile phases of Brij35 in adequate experimental conditions, has demonstrated to be useful in mimicking the drug partitioning process into biological systems. In this paper, the usefulness of BMC for predicting mutagenicity of aromatic amines is demonstrated. A multiple linear regression (MLR) model based on BMC retention data is proposed and compared with other ones reported in bibliography. The proposed model present better or similar descriptive and predictive capability.

yearjournalcountryeditionlanguage
2007-01-01
10.13039/501100008743https://dx.doi.org/10.1016/j.ejmech.2007.02.022