The DOI matches its Crossref record; 7 of the 7 references it cites were found in a registry or an index.
Volatility and Nonspecific van der Waals Interaction Properties of Per- and Polyfluoroalkyl Substances (PFAS): Evaluation Using Hexadecane/Air Partition Coefficients
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The reason for the inconsistent descriptor values is likely the problem of extrapolation; the system parameters calibrated with only nonfluorinated compounds are not applicable to PFAS.
“The reason for this is likely the problem of extrapolation; the system parameters calibrated with only nonfluorinated compounds are not applicable to PFAS.9,18”
From Intermolecular Interactions, Solute Descriptors, and Partition Properties of Neutral Per- and Polyfluoroalkyl Substances (PFAS) (2023) · cites this paper as [18]
In Results and Discussion, under “KHxd/air Values Determined by the GC-RT Method” (page not provided), the paper says that calibrating equation 4 only with nonfluorinated reference chemicals required extrapolation to PFAS and produced relatively large errors. This supports extrapolation as a reason for inconsistent values, but the finding concerns that specific equation and measured partition coefficients; it does not establish that system parameters calibrated without PFAS are generally inapplicable to PFAS descriptors. (LLM, conf=0.82)
Experimental — accuracy not yet measuredL can be explained by summing the contributions from the fluorinated and nonfluorinated parts of the molecule.
“The study showed that L can be explained by summing the contributions from the fluorinated and nonfluorinated parts of the molecule.”
From Intermolecular Interactions, Solute Descriptors, and Partition Properties of Neutral Per- and Polyfluoroalkyl Substances (PFAS) (2023) · cites this paper as [18]
L was updated from the reported values using literature data for nonpolar GC columns (squalane, SPB-Octyl, and Apolane) because small influences of polar interactions on log k could be taken into account with the values of S and A for PFAS.
“L was also updated from the reported values18 in this iterative calculation using the literature data for nonpolar GC columns (squalane, SPB-Octyl,18 and Apolane)11 because small influences of polar interactions on log k, which were not considered in the previous studies,11,18 could be taken into account with the values of S and A for PFAS.”
From Intermolecular Interactions, Solute Descriptors, and Partition Properties of Neutral Per- and Polyfluoroalkyl Substances (PFAS) (2023) · cites this paper as [18]
The current version of COSMOtherm likely slightly overestimates the partitioning of PFAS from air to liquid phases.
“It is likely that the current version of COSMOtherm slightly overestimates the partitioning of PFAS from air to liquid phases, as reported in previous articles.5,18”
From Intermolecular Interactions, Solute Descriptors, and Partition Properties of Neutral Per- and Polyfluoroalkyl Substances (PFAS) (2023) · cites this paper as [18]
In a previous study, our group measured KHxd/air for 64 neutral PFAS to elucidate their nonpolar interaction properties.
“In a previous study, our group measured the values of KHxd/air, the decadic logarithm of which is L in eq 1, for 64 neutral PFAS to elucidate their nonpolar interaction properties.18”
From Intermolecular Interactions, Solute Descriptors, and Partition Properties of Neutral Per- and Polyfluoroalkyl Substances (PFAS) (2023) · cites this paper as [18]
Experimental KHxd/air values for 61 PFAS have already been reported in the authors' previous study.
“Experimental KHxd/air values for 61 PFAS have already been reported in our previous study.21”
This minor but consistent bias is similar to the prediction for log KHxd/air, reported in the authors' previous paper.
“This minor but consistent bias is similar to the prediction for log KHxd/air, reported in our previous paper.21”
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Citations
Cites
An overview of the uses of per- and polyfluoroalkyl substances (PFAS)
Glüge, J., Scheringer, M., Cousins, I. T., DeWitt, J. C., Goldenman, G., Herzke, D., Lohmann, R., Ng, C. A., Trier, X., & Wang, Z. (2020) · Environmental Science: Processes & Impacts · doi:10.1039/d0em00291g · Cited by 2,466
Scientific Basis for Managing PFAS as a Chemical Class
Kwiatkowski, C. F., Andrews, D. Q., Birnbaum, L. S., Bruton, T. A., DeWitt, J. C., Knappe, D. R. U., Maffini, M. V., Miller, M. F., Pelch, K. E., Reade, A., et al. (2020) · Environmental Science & Technology Letters · doi:10.1021/acs.estlett.0c00255 · Cited by 721
The High Persistence of PFAS Is Sufficient for Their Management as a Chemical Class
Cousins, I. T., DeWitt, J. C., Glüge, J., Goldenman, G., Herzke, D., Lohmann, R., Ng, C. A., Scheringer, M., & Wang, Z. (2020) · Environmental Science: Processes & Impacts · doi:10.1039/d0em00355g · Cited by 491
Zhang, W., Pang, S., Lin, Z., Mishra, S., Bhatt, P., & Chen, S. (2021) · Environmental Pollution · doi:10.1016/j.envpol.2020.115908 · Cited by 280
Addressing Urgent Questions for PFAS in the 21st Century
Ng, C., Cousins, I. T., DeWitt, J. C., Glüge, J., Goldenman, G., Herzke, D., Lohmann, R., Miller, M., Patton, S., Scheringer, M., et al. (2021) · Environmental Science & Technology · doi:10.1021/acs.est.1c03386 · Cited by 170
Droge, S. T. J. (2019) · Environmental Science & Technology · doi:10.1021/acs.est.8b05052 · Cited by 112
Liu, Y., Robey, N. M., Bowden, J. A., Tolaymat, T. M., da Silva, B. F., Solo-Gabriele, H. M., & Townsend, T. G. (2021) · Environmental Science & Technology Letters · doi:10.1021/acs.estlett.0c00819 · Cited by 89
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Cited by
Sorted by citations
Endo, S., Hammer, J., & Matsuzawa, S. (2023) · Environmental Science & Technology · doi:10.1021/acs.est.3c02545 · Cited by 54
Self-citationEndo, S. (2023) · Environmental Science & Technology · doi:10.1021/acs.est.3c07503 · Cited by 48
Self-citationMinucci, J. M., DeLuca, N. M., Durant, J. T., Goodwin, B., Kowalski, P., Scruton, K., Thomas, K., & Cohen Hubal, E. A. (2024) · Environment International · doi:10.1016/j.envint.2024.108756 · Cited by 40
Perfluoroalkyl chain-length-dependent environmental fate and treatment outcomes of PFAS in water
Lee, Y.-J., Moon, G., Cha, H., Lee, J., & Kwon, E. E. (2026) · npj Clean Water · doi:10.1038/s41545-026-00568-5 · Cited by 29
Metadata
- Authors
- Hammer, J., & Endo, S.
- Venue
- Environmental Science & Technology
- Publisher
- American Chemical Society (ACS)
- Published
- 2022-10-14
- Volume
- 56
- Issue
- 22
- Pages
- 15737-15745
- ISSN
- 0013-936X
- 1520-5851
- PMC
- PMC9671037
- Cited by
- 58
- References
- 7
- Language
- en
- Funders
- Environmental Restoration and Conservation Agency (JPMEERF20213002)
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