Biopartitioning micellar chromatography to predict mutagenicity of aromatic amines.
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.
Torres-Cartas
S
S
Departamento de Química Analítica, Universidad de Valencia, C/Vicente Andrés Estellés s/n, 46100 Burjassot, Valencia, Spain.
Martín-Biosca
Y
Y
Villanueva-Camañas
R M
RM
Sagrado
S
S
Medina-Hernández
M J
MJ
D000588:Amines / Q000737:chemistry* / Q000633:toxicity*; D002845:Chromatography / Q000379:methods*; D003198:Computer Simulation; D016018:Least-Squares Analysis; D008823:Micelles; D008954:Models, Biological; D016296:Mutagenesis; D021281:Quantitative Structure-Activity Relationship
D000588:Amines; D008823:Micelles