Molecular detection of per- and polyfluoroalkyl substances in water using time-of-flight secondary ion mass spectrometry

Yu, Xiao-Ying; Yang, Cuiyun; Gao, Jun; Xiong, John; Sui, Xiao; Zhong, Lirong; Zhang, Yuchen; Son, Jiyoung

doi:10.3389/fchem.2023.1253685

Title: Molecular detection of per- and polyfluoroalkyl substances in water using time-of-flight secondary ion mass spectrometry

Journal Article · Fri Oct 06 00:00:00 UTC 2023 · Frontiers in Chemistry

DOI: https://doi.org/10.3389/fchem.2023.1253685 · OSTI ID:2076203

^[1]; Yang, Cuiyun ^[1]; Gao, Jun ^[1]; Xiong, John ^[2]; Sui, Xiao ^[3]; Zhong, Lirong ^[4];

^[1];

^[4]

Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Haley & Aldrich Inc., Costa Mesa, CA (United States)
Shandong Normal University, Jinan (China)
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Detection of per- and polyfluoroalkyl substances (PFASs) is crucial in environmental mitigation and remediation of these persistent pollutants. We demonstrate that time-of-flight secondary ion mass spectrometry (ToF-SIMS) is a viable technique to analyze and identify these substances at parts per trillion (ppt) level in real field samples without complicated sample preparation due to its superior surface sensitivity. Several representative PFAS compounds, such as perfluorooctanesulfonic acid (PFOS), perfluorobutanoic acid (PFBA), perfluoropentanoic acid (PFPeA), perfluoheptanoic acid (PFHpA), and perfluorononanoic acid (PFNA), and real-world groundwater samples collected from monitoring wells installed around at a municipal wastewater treatment plant located in Southern California were analyzed in this work. ToF-SIMS spectral comparison depicts sensitive identification of pseudo-molecular ions, characteristic of reference PFASs. Additionally, principal component analysis (PCA) shows clear discrimination among real samples and reference compounds. Our results show that characteristic molecular ion and fragments peaks can be used to identify PFASs. Furthermore, SIMS two-dimensional (2D) images directly exhibit the distribution of perfluorocarboxylic acid (PFCA) and PFOS in simulated mixtures and real wastewater samples. Such findings indicate that ToF-SIMS is useable to determine PFAS compounds in complex environmental water samples. In conclusion, ToF-SIMS provides simple sample preparation and high sensitivity in mass spectral imaging, offering an alternative solution for environmental forensic analysis of PFASs in wastewater in the future.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE Laboratory Directed Research and Development (LDRD) Program

Grant/Contract Number:: AC05-00OR22725; AC05-76RL01830

OSTI ID:: 2076203

Journal Information:: Frontiers in Chemistry, Journal Name: Frontiers in Chemistry Journal Issue: 6 Vol. 11; ISSN 2296-2646

Publisher:: Frontiers Research FoundationCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
PFAS
PFOs
ToF-SIMS
groundwater
molecular identification
wastewater

Title: Molecular detection of per- and polyfluoroalkyl substances in water using time-of-flight secondary ion mass spectrometry

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