W4M00006_BPA-MMusculus

Study Metabolic shifts induced in vivo after perinatal exposure to low doses of BPA in CD-1 mice were assessed. In this study conducted by the ToxAlim-MeX team and the Tufts University school of medicine (Boston, MA, USA) in collaboration with the AXIOM-MetaToul-MetaboHUB platform, aqueous brain extracts from twenty-four 21-day-old pups whose mothers were exposed to either 0.025µg or 0.25µg BPA/kg BW/day during gestation and lactation were analyzed by NMR Spectroscopy. Dataset The dataset contains 24 Bruker files preprocessed using the TopSpin software (Bruker): Fourier Transformation was applied to free induction decays, then all the NMR spectra were phased and the baselines were corrected and calibrated with the TopSpin software. Workflow The workflow consists in the following steps: fixed-size bucketing (0.01ppm), normalization by the total intensity of the spectrum, Pareto scaling, PCA to detect outliers, OPLS-DA modeling of BPA dose, univariate hypothesis testing of significant variations with BPA dose (FDR < 0.05) for discriminant buckets (OPLS-DA VIP > 0.8), and metabolite annotation with the NMR Annotation tool. Comments Please note that this pairwise comparison was not presented in the publication by Cabaton et al. (2013).