Quantifying PFAS-Omics Burden Scores for Nontargeted Analysis Using Multidimensional Item Response Theory: An Exploratory Analysis of Novel and Legacy PFAS in Cord Blood

The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acs.est.5c06490 . Figure S1. flowchart of the study sample Figure S2. flowchart of the study goals Table S1: Lower limits of detection (LLODs) of the 8 targeted PFAS analytes Table S2: instrument parameters used for LC-HRMS with negative ESI MS/MS Spectra Study Reporting Figure S3. Box-and-whisker plot of the PFAS detected in NTA. relative abundances of the NTA PFAS were log2-transformed and batch corrected Table S3: decile cutoffs of the 8 PFAS analytes in the targeted analysis Table S4: item parameters of the unidimensional IRT model for calculating PFAS burden Table S5: quartile abundance cutoffs for 42 PFAS analytes in the NTA Table S6: explore the number of dimensions of IRT model to quantify PFAS-omics score from 42 PFAS analytes in NTA Table S7: oblimin-rotated coefficients of the IRT model calculating PFAS-omics score Table S8: oblimin-rotated factor loadings of the IRT model calculating PFAS-omics score Table S9: item fits of the IRT model calculating PFAS-omics score Table S10: covariances of the 3 latent factors Figure S4: Heatmap of the exposure pattern of the 42 NTA PFAS in the sample Table S11: median (IQR) of PFAS analytes across parity groups for participants both having targeted and nontargeted PFAS measurements Table S12: robust Cohen’s d (95% CI) for comparing burden scores across parity groups and for comparisons that are significantly different across parity groups Table S13: robust Cohen’s d (95% CI) of comparisons in the sample both having targeted and nontargeted PFAS analytes Table S14: oblimin-Rotated coefficients of the IRT model calculating PFAS-omics score from 25 NTA PFAS that had h2 values > 0.1 Table S15: oblimin-Rotated factor loadings of the IRT model calculating PFAS-omics score from 25 NTA PFAS that had h2 values > 0.1 Table S16: Spearman correlation of breastfeeding duration and PFAS burden scores Figure S5: comparing exposure to PFAS mixtures using 1000 plausible values Table S16: Spearman correlation of breastfeeding duration and PFAS burden scores ( PDF )