External liquid calibration method for iodide chemical ionization mass spectrometry enables quantification of gas-phase per- and polyfluoroalkyl substances (PFAS) dynamics in indoor air

Davern, Michael J.; West, Gabrielle V.; Eichler, Clara M. A.; Turpin, Barbara J.; Zhang, Yue; Surratt, Jason D.

doi:10.1039/d4an00100a

Analyst

2024

DOI: 10.1039/d4an00100a

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External liquid calibration method for iodide chemical ionization mass spectrometry enables quantification of gas-phase per- and polyfluoroalkyl substances (PFAS) dynamics in indoor air

Michael J. Davern,

Gabrielle V. West,

Clara M. A. Eichler

et al.

Abstract: Per- and polyfluoroalkyl substances (PFAS) are manufactured chemicals that have been detected across the globe. Fluorotelomer alcohols (FTOHs) are one PFAS class commonly found in indoor air due to emissions...

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Cited by 4 publications

References 67 publications

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A SIFT Study of Reactions of Positive and Negative Ions With Polyfluoroalkyl (PFAS) Molecules in Dry and Humid Nitrogen at 393 K

Swift,

Omezzine Gnioua,

Dryahina

et al. 2024

Rapid Comm Mass Spectrometry

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RationaleData are required for SIFT‐MS analysis of perfluoroalkyl and polyfluoroalkyl substances (PFAS), which are persistent in the environment and cause adverse health effects. Specifically, the rate coefficients and product ion branching ratios of the reactions of H3O+, NO+, O2+•, O−•, OH−, O2−•, NO2− and NO3− with PFAS vapours are needed.MethodsThe dual polarity SIFT‐MS instrument (Voice200) was used to generate these eight reagent ions and inject them into the flow tube with N2 carrier gas at a temperature of 393 K. Vapours of pentafluoropropionic acid, heptafluorobutyric acid, nonafluoro‐1‐hexanol, perfluoro‐2‐methyl‐2‐pentene, perfluorohexanoic acid, perfluoro(2‐methyl‐3‐oxahexanoic) acid, tridecafluoro‐1‐octanol and nonafluorobutane‐1‐sulfonic acid were introduced in dry and humid air. Full‐scan mass spectra were collected for all reagents at variable PFAS concentrations and analysed numerically.ResultsRate coefficients were determined for 64 reactions, for which 55 positive and 71 negative product ions were identified. The branching ratios for the primary reaction channels were extracted from the data, and the secondary chemistry with H2O molecules was qualitatively assessed. The thermochemical data were calculated for the H3O+ reactions using density functional theory (DFT).ConclusionsAn important observation is that secondary reactions with water molecules remove the positive product ions, making them unsuitable for practical SIFT‐MS analysis of PFAS vapours. In contrast, most negative reaction product ions are not significantly affected by humidity and are thus preferred for the SIFT‐MS analyses of PFAS substances in various gaseous matrices.

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A SIFT Study of Reactions of Positive and Negative Ions With Polyfluoroalkyl (PFAS) Molecules in Dry and Humid Nitrogen at 393 K

Swift,

Omezzine Gnioua,

Dryahina

et al. 2024

Rapid Comm Mass Spectrometry

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Fluorotelomer alcohol (FTOH) emission rates from new and old rain jackets to air determined by iodide high-resolution chemical ionization mass spectrometry

Eichler,

Davern,

Surratt

et al. 2024

Indoor Environments

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Addressing the persistence of per- and poly-fluoroalkyl substances (PFAS): current challenges and potential solutions

Itumoh,

Data,

Chen

et al. 2024

RSC Sustain.

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External liquid calibration method for iodide chemical ionization mass spectrometry enables quantification of gas-phase per- and polyfluoroalkyl substances (PFAS) dynamics in indoor air

Abstract: Per- and polyfluoroalkyl substances (PFAS) are manufactured chemicals that have been detected across the globe. Fluorotelomer alcohols (FTOHs) are one PFAS class commonly found in indoor air due to emissions...

Cited by 4 publications

References 67 publications

A SIFT Study of Reactions of Positive and Negative Ions With Polyfluoroalkyl (PFAS) Molecules in Dry and Humid Nitrogen at 393 K

A SIFT Study of Reactions of Positive and Negative Ions With Polyfluoroalkyl (PFAS) Molecules in Dry and Humid Nitrogen at 393 K

Fluorotelomer alcohol (FTOH) emission rates from new and old rain jackets to air determined by iodide high-resolution chemical ionization mass spectrometry

Addressing the persistence of per- and poly-fluoroalkyl substances (PFAS): current challenges and potential solutions

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