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Poly- and perfluoroalkyl substances (PFAS) are a group of compounds with uses in industry and many consumer products. Concerns about the potential health effects of these compounds resulted in regulation by the Stockholm Convention on the use of three of the most common PFAS, including perfluorooctanoic acid (PFOA). Thousands of PFAS remain in production that are unregulated and for which their toxicity is unknown. Our group recently identified a new class of PFAS, fluorotelomer ethoxylates (FTEOs), in indoor dust and industrial wastewater. In this study, we investigated the effect of PFAS on placental metabolism by exposing healthy, pregnant CD-1 mice to PFOA or FTEOs at one of three concentrations (0 ng/L (controls), 5 ng/L, 100 ng/L) (n = 7–8/group). While PFOA is banned and PFOA concentrations in human blood are decreasing, we hypothesize that FTEOs will cause adverse pregnancy outcomes similar to PFOA, the compounds they were meant to replace. Placental tissue samples were collected at embryonic day 17.5 and 1H solid-state magic angle spinning nuclear magnetic resonance spectroscopy was used to determine the relative concentration of placental metabolites (n = 18–20/group). At the highest concentration, the relative concentrations of glucose and threonine were increased and the relative concentration of creatine was decreased in the PFOA-exposed placentas compared to controls (p < 0.05). In contrast, the relative concentrations of asparagine and lysine were decreased and the relative concentration of creatine was increased in the FTEOs-exposed placentas compared to controls (p < 0.05). Partial least squares - discriminant analysis showed the FTEOs-exposed and control groups were significantly separated (p < 0.005) and pathway analysis found four biochemical pathways were perturbed following PFOA exposure, while one pathway was altered following FTEOs exposure. Maternal exposure to PFOA and FTEOs had a significant impact on the placental metabolome, with the effect depending on the pollutant. This work motivates further studies to determine exposure levels and evaluate associations with adverse outcomes in human pregnancies. [Display omitted] • Fluorotelomer ethoxylates (FTEOs) were previously found to be environmentally persistent. • The health impacts of FTEOs are unknown. • Exposure of pregnant mice to FTEOs results in abnormal placental metabolism. [ABSTRACT FROM AUTHOR]

Since 2001, twenty-eight halogenated groups of persistent organic pollutants (POPs) have been banned or restricted by the Stockholm Convention. Identifying new POPs among the hundreds of thousands of anthropogenic chemicals is a major challenge that is increasingly being met by state-of-the-art mass spectrometry (MS). The first step to identification of a contaminant molecule (M) is the determination of the type and number of its constituent elements, viz. its elemental composition , from mass-to-charge (m / z) measurements and ratios of isotopic peaks (M + 1, M + 2 etc.). Not every combination of elements is possible. Boundaries exist in compositional space that divides feasible and improbable compositions as well as different chemical classes. This study explores the compositional space boundaries of persistent and bioaccumulative organics. A set of ~305,134 compounds (PubChem) was used to visualize the compositional space occupied by F, Cl, and Br compounds, as defined by m / z and isotope ratios. Persistent bioaccumulative organics, identified by in silico screening of 22,049 commercial chemicals, reside in more constrained regions characterized by a higher degree of halogenation. In contrast, boundaries surrounding non-halogenated chemicals could not be defined. Finally, a script tool (R code) was developed to select potential POPs from high resolution MS data. When applied to household dust (SRM 2585), this approach resulted in the discovery of previously unknown chlorofluoro flame retardants. Unlabelled Image • Elemental composition determination is the first step to identifying a contaminant. • Boundaries in compositional space enclose persistent organic pollutants (POPs). • ~305,134 compounds (PubChem) were used to visualize the space occupied POPs. • A script tool was developed to select potential POPs from high resolution MS data. • Unknown Cl/F-flame retardants were identified in house dust. [ABSTRACT FROM AUTHOR]