Identification of novel non-ionic, cationic, zwitterionic, and anionic polyfluoroalkyl substances using UPLC–TOF–MSE high-resolution parent ion search

Xiao, Feng; Golovko, Svetlana A.; Golovko, Mikhail Y.

doi:10.1016/j.aca.2017.08.016

Cited by 83 publications

(80 citation statements)

References 56 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Currently available commercial analytical techniques and those being developed for nondrinking water matrices do not have the capability to identify all the potential individual PFAS related treatment by‐products. However, some of the advanced analytical techniques (e.g., AOP, TOP, and PIGE) are capable of approximating the total equivalent organofluorine of these precursors as researchers continue to develop libraries of standards to identify individual precursor compounds (Mejia‐Avendano et al ; Xiao et al ; Xu et al , ).…”

Section: Summary Observationsmentioning

confidence: 99%

Understanding and Managing the Potential By‐Products of PFAS Destruction

Horst

McDonough

Ross

et al. 2020

Groundwater Monitoring Rem

View full text Add to dashboard Cite

Section: Summary Observationsmentioning

confidence: 99%

Understanding and Managing the Potential By‐Products of PFAS Destruction

Horst

McDonough

Ross

et al. 2020

Groundwater Monitoring Rem

View full text Add to dashboard Cite

“…Similarly, the first C−F bond cleaved during the B12catalyzed abiotic defluorination of 2,3,3,3-tetrafluoropropene was also at the sp 2 C−F bond on the unsaturated carbon (33). Additionally, it is worth noting that although the tertiary sp 3 C−F bond in PFMeUPA has the lowest bond dissociation energy (BDE) ( Fig. 3), the formation of TP256 indicates that the sp 2 C−F bonds are more microbially active.…”

mentioning

confidence: 95%

“…2A). The sp 3 C−F bond in the -C3F7 group has the lowest BDE, thus more likely to be cleaved. Furthermore, the behavior of TP195 on the LC-HRMS/MS was different from the authentic standard of the sp 2 C−F cleavage product (3-(trifluoromethyl)-3,4,4,4-tetrafluorobutene-1) (Table S1), indicating a different structure of TP195.…”

mentioning

confidence: 99%

Microbial Cleavage of C‒F Bonds in Per- and Polyfluoroalkyl Substances via Dehalorespiration

Yu¹,

Zhang²,

Li³

et al. 2019

Preprint

View full text Add to dashboard Cite

Regarding the emerging concerns of the widely occurred and environmentally persistent per- and polyfluoroalkyl substances (PFASs), one intriguing and unsolved scientific question for environmental microbiologists, chemists, and engineers is that whether microbial reductive defluorination of perfluorinated compounds exist in nature. Due to the strong dissociation energy of carbon‒fluorine (C‒F) bonds in PFASs, no convincing evidence for biological cleavage of C‒F bonds from > C<sub>2</sub> perfluorinated structures has ever been reported. We for the first time show C‒F bond cleavage via reductive defluorination by an organohalide-respiring microbial community for two PFASs, perfluoro(4-methylpent-2-enoic acid) and 4,5,5,5-tetrafluoro-4-(trifluoromethyl)-2-pentenoic acid. Comprehensive biotransformation pathways are further elucidated. This study brings valuable fundamental knowledge of microbial dehalorespiration, which opens avenues for the future exploration of PFAS environmental fate and bioremediation strategies.

show abstract

“…The specific compounds perfluorooctanoic acid (PFOA) and perfluorooctanesulfonate (PFOS) have drinking water health advisory levels set by the EPA 1,2 and their major US production ceased in the 2000s 3,4 . To gain a significant understanding for the properties of PFAS materials in the textile and consumer product manufacturing spheres, hundreds, if not thousands, of alternate PFAS chemistries have been developed to fill product niches, including replacements for the deprecated compounds 5,6,7,8 . There is an ongoing need to monitor the environmental levels of straight chain perfluorinated carboxylic acids and sulfonates such PFOS, PFOA, and their related homologous series, but emerging chemical compounds are not covered by established methods such as EPA Method 537 9 and frequently lack analytical standards for traditional targeted analysis.…”

Section: Introductionmentioning

confidence: 99%

Identifying Per- and Polyfluorinated Chemical Species with a Combined Targeted and Non-Targeted-Screening High-Resolution Mass Spectrometry Workflow

McCord

Strynar²

2019

JoVE

View full text Add to dashboard Cite

Historical and emerging per-and polyfluoroalkyl substances (PFASs) have garnered significant interest from the public and government agencies from the local to federal levels. The continuing evolution of PFAS chemistries presents a challenge to the environmental monitoring, where ongoing development of targeted methods necessarily lags the discovery of new chemical compounds. There is a need, therefore, to have forward-looking methodologies that can detect emerging and unexpected compounds, monitor these species over time, and resolve details of their chemical structure to enable future work in human health. To this end, non-targeted analysis by high-resolution mass spectrometry offers a broad base detection approach that can be combined with almost any sample preparation scheme and provides significant capabilities for compound identification after detection. Herein, we describe a solid-phase extraction (SPE) based sample concentration method tuned for shorter chain and more hydrophilic PFAS chemistries, such as per fluorinated ether acids and sulfonates, and describe analysis of samples prepared in this fashion in both targeted and non-targeted modes. Targeted methods provide superior quantification when reference standards are available but are intrinsically limited to expected compounds when performing analysis. In contrast, a non-targeted approach can identify the presence of unexpected compounds and provide some information about their chemical structure. Information about chemical features can be used to correlate compounds across sample locations and track abundance and occurrence over time.

show abstract

Identification of novel non-ionic, cationic, zwitterionic, and anionic polyfluoroalkyl substances using UPLC–TOF–MSE high-resolution parent ion search

Cited by 83 publications

References 56 publications

Understanding and Managing the Potential By‐Products of PFAS Destruction

Understanding and Managing the Potential By‐Products of PFAS Destruction

Microbial Cleavage of C‒F Bonds in Per- and Polyfluoroalkyl Substances via Dehalorespiration

Identifying Per- and Polyfluorinated Chemical Species with a Combined Targeted and Non-Targeted-Screening High-Resolution Mass Spectrometry Workflow

Contact Info

Product

Resources

About