Abstract: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 0.8), 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).