Expanding PFAS Identification with Transformation Product Libraries: Nontargeted Analysis Reveals Biotransformation Products in Mice.

Per- and polyfluoroalkyl substances (PFAS) are widely used persistent synthetic chemicals that have been linked to adverse health effects. While the behavior of PFAS has been evaluated in the environment, our understanding of reaction products in mammalian systems is limited. This study identified biological PFAS transformation products and generated mass spectral libraries to facilitate an automated search and identification.

Directly measuring octanol-air partition ratios using a gas chromatography retention time (GC-RT) method.

The octanol-air partition ratio (K) is a fundamental property used for screening chemicals for concern, depending on their potential to bioaccumulate and harm living systems. With millions of chemicals used in commerce, unfortunately, less than 800 compounds currently have experimentally measured K values due to limitations in traditional measurement techniques. We aimed to develop a direct gas chromatography retention time (GC-RT) method using a custom-packed column, with octanol as the stationary phase, for rapidly measuring K.

Tear Fluid as a Matrix for Biomonitoring Environmental and Chemical Exposures.

Purpose: Exposures to hazardous chemicals have been linked to many detrimental health effects and it is therefore critical to have effective biomonitoring methods to better evaluate key environmental exposures that increase the risk of chronic disease and death. Traditional biomonitoring utilizing blood and urine is limited due to the specialized skills and invasiveness of collecting these fluid samples. This systematic review focuses on tear fluid, which is largely under-researched, as a promising complementary matrix to the traditional fluids used for biomonitoring.

Wearable Passive Samplers for Assessing Environmental Exposure to Organic Chemicals: Current Approaches and Future Directions.

Purpose Of Review: We are continuously exposed to dynamic mixtures of airborne contaminants that vary by location. Understanding the compositional diversity of these complex mixtures and the levels to which we are each exposed requires comprehensive exposure assessment. This comprehensive analysis is often lacking in population-based studies due to logistic and analytical challenges associated with traditional measurement approaches involving active air sampling and chemical-by-chemical analysis.

An actionable annotation scoring framework for gas chromatography-high-resolution mass spectrometry.

Omics-based technologies have enabled comprehensive characterization of our exposure to environmental chemicals (chemical exposome) as well as assessment of the corresponding biological responses at the molecular level (eg, metabolome, lipidome, proteome, and genome). By systematically measuring personal exposures and linking these stimuli to biological perturbations, researchers can determine specific chemical exposures of concern, identify mechanisms and biomarkers of toxicity, and design interventions to reduce exposures. However, further advancement of metabolomics and exposomics approaches is limited by a lack of standardization and approaches for assigning confidence to chemical annotations.

Novel Bayesian Method to Derive Final Adjusted Values of Physicochemical Properties: Application to 74 Compounds.

Accurate values of physicochemical properties are essential for screening semivolatile organic compounds for human and environmental hazard and risk. approaches for estimation are widely used, but the accuracy of these and measured values can be difficult to ascertain. Final adjusted values (FAVs) harmonize literature-reported measurements to ensure consistency and minimize uncertainty.

Spatial and temporal variations of halogenated flame retardants and organophosphate esters in landfill air: Potential linkages with gull exposure.

Landfills represent important sources of local emissions of organic contaminants, including halogenated (HFR) and organophosphate ester (OPE) flame retardants used in a large variety of consumer products. Gulls foraging in landfills may be exposed to elevated atmospheric concentrations of HFRs and OPEs that may vary spatially and temporally within a landfill site, thus modulating their exposure. The objective of the present study was to investigate the spatial and temporal variability of HFR and OPE concentrations in air samples collected from a major landfill in the Montreal area (QC, Canada) that is frequently visited by gulls for foraging.

Calibration of polydimethylsiloxane and polyurethane foam passive air samplers for measuring semi volatile organic compounds using a novel exposure chamber design.

Passive air sampling is increasingly used for air quality monitoring and for personal sampling. In a novel experimental exposure chamber study, 3 types of polydimethylsiloxane (PDMS, including sheet and wristband) and 1 type of polyurethane foam (PUF) passive air samplers were tested for gas-phase uptake of 200 semi volatile organic compounds (SVOCs) during six months. For 155 SVOCs including PAH, PCB, phthalates, organophosphate esters, musk compounds, organochlorine- and other pesticides, a normalized generic uptake rate (Rs) of 7.

Examining the Gas-Particle Partitioning of Organophosphate Esters: How Reliable Are Air Measurements?

Organophosphate esters (OPEs) in air have been found to be captured entirely on filters of typical active air samplers and thus designated as being in the particle phase. However, this particle fraction is unexpected, especially for more volatile tris(2-chloroethyl) phosphate (TCEP) and tris(chloroisopropyl) phosphate (TCIPP). We evaluated gas-particle partitioning in indoor and outdoor air for OPEs and polybrominated diphenyl ethers (PBDEs) using single-parameter models (Junge-Pankow, Harner-Bidleman) and poly-parameter linear free energy relationship (pp-LFER) models.

Polydimethylsiloxane (silicone rubber) brooch as a personal passive air sampler for semi-volatile organic compounds.

Exposure assessments conducted using a personal sampler include the contribution of human activities to exposure that is neglected when using a stationary air sampler. This study evaluated the uptake characteristics and application of the polydimethylsiloxane (PDMS or silicone rubber) brooch as a personal passive air sampler (PPAS) for measuring concentrations of two groups of semi-volatile organic compounds (SVOCs), namely phthalates and organophosphate esters (OPEs), indoors in proximity to the breathing zone. Uptake rates of the PDMS brooch were calibrated against a personal low volume active air sampler (PLV-AAS) co-deployed on each of five study participants working in offices for 8 hs daily for four days.

Passive air sampling of flame retardants and plasticizers in Canadian homes using PDMS, XAD-coated PDMS and PUF samplers.

Passive air samplers (PAS) were evaluated for measuring indoor concentrations of phthalates, novel brominated flame retardants (N-BFRs), polybrominated diphenyl ethers (PBDEs), and organophosphate esters (OPEs). Sampling rates were obtained from a 50-day calibration study for two newly introduced PAS, polydimethylsiloxane (PDMS) or silicone rubber PAS (one with and one without a coating of styrene divinyl benzene co-polymer, XAD) and the commonly used polyurethane foam (PUF) PAS. Average sampling rates normalized to PAS surface area were 1.

Organophosphate esters flame retardants in the indoor environment.

Concentrations of 13 organophosphate ester flame retardants (OPEs) were measured in air, dust and window wipes from 63 homes in Canada, the Czech Republic and the United States in the spring and summer of 2013 to look for abundances, differences among regions, and partitioning behavior. In general, we observed the highest concentrations for halogenated OPEs, particularly TCEP, TCIPP and TDCIPP, and also non-halogenated TPHP. Differences between regions strongly depended on the matrix.

A miniature bird-borne passive air sampler for monitoring halogenated flame retardants.

Birds have been used intensively as biomonitors of halogenated flame retardants (HFRs), and several studies have reported elevated tissue concentrations and inter-individual variability for these contaminants. While diet is known to be an important exposure pathway for HFRs in birds, it has been suggested that exposure through air may represent an underestimated source of HFRs for certain species. However, a method was not available for measuring the atmospheric exposure of individual birds to HFRs or other semi-volatile contaminants.

Approaches for estimating PUF-air partitions coefficient for semi-volatile organic compounds: A critical comparison.

Partition coefficients between polyurethane foam (PUF) and air (K) are important when using PUF as a passive air sampler for semi-volatile organic compounds (SVOCs) and when considering the fate of SVOCs indoors where PUF is a common material. Here, K for selected SVOCs was estimated using published methods, since measured data are unavailable for most of these compounds. Estimates of K were within one order of magnitude for SVOCs having values of log octanol-air partition coefficient (K) of 5, but differed by nearly three orders of magnitude for SVOCs with log K of 12.

Brominated flame retardants in the indoor environment - Comparative study of indoor contamination from three countries.

Concentrations of more than 20 brominated flame retardants (FRs), including polybrominated diphenyl ethers (PBDEs) and emerging FRs, were measured in air, dust and window wipes from 63 homes in Canada, the Czech Republic and the United States in the spring and summer of 2013. Among the PBDEs, the highest concentrations were generally BDE-209 in all three matrices, followed by Penta-BDEs. Among alternative FRs, EHTBB and BEHTBP were detected at the highest concentrations.

Polydimethylsiloxane-air partition ratios for semi-volatile organic compounds by GC-based measurement and COSMO-RS estimation: Rapid measurements and accurate modelling.

Polydimethylsiloxane (PDMS) shows promise for use as a passive air sampler (PAS) for semi-volatile organic compounds (SVOCs). To use PDMS as a PAS, knowledge of its chemical-specific partitioning behaviour and time to equilibrium is needed. Here we report on the effectiveness of two approaches for estimating the partitioning properties of polydimethylsiloxane (PDMS), values of PDMS-to-air partition ratios or coefficients (KPDMS-Air), and time to equilibrium of a range of SVOCs.

Calibration of two passive air samplers for monitoring phthalates and brominated flame-retardants in indoor air.

Two passive air samplers (PAS), polyurethane foam (PUF) disks and Sorbent Impregnated PUF (SIP) disks, were characterized for uptake of phthalates and brominated flame-retardants (BFRs) indoors using fully and partially sheltered housings. Based on calibration against an active low-volume air sampler for gas- and particle-phase compounds, we recommend generic sampling rates of 3.5±0.