Enhanced adsorption of per- and polyfluoroalkyl substances (PFAS) by edible, nutrient-amended montmorillonite clays

Wang, Meichen; Orr, Asuka A.; Jakubowski, Joseph M.; Bird, Kelsea E.; Casey, Colleen M.; Hearon, Sara E.

doi:10.1016/j.watres.2020.116534

Cited by 74 publications

(41 citation statements)

References 35 publications

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“…A previous study employing modified clay confirmed the adsorption of anionic and neutral PFAS from AFFFimpacted groundwater, and the PFAS removal capacity was not affected by the presence of organic co-contaminants in groundwater samples (Yan et al, 2020). Nutrient-amended montmorillonite clays have also been tested for their ability to bind with PFAS, and a combination of hydrophobic, electrostatic interactions, and hydrogen bonding were found to be responsible for the adsorption mechanism (M. Wang et al, 2021).…”

Section: Article Impact Statementmentioning

confidence: 79%

Point‐of‐entry water filter for removal of per‐ and poly‐fluoroalkyl substances and precursors

Natarajan

Dodds²,

Allard

et al. 2021

AWWA Water Science

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Technologies for per-and poly-fluoroalkyl substances (PFAS) removal at a small scale suitable for point-of-entry (POE) treatment systems for household or business water supply are not well-established. In the current study, a POE filter was tested for the removal of PFAS and precursors in groundwater contaminated with aqueous film-forming foam. Long-chain PFAS were more effectively removed than short-chain PFAS. Total oxidizable precursor assays showed that precursors of short-chain perfluoroalkyl carboxylic acids (PFCAs) broke through the filter earlier than routinely measured PFCAs and perfluoroalkyl sulfonic acids. The dissolved organic carbon removal trend was similar to that of PFAS and precursors. Overall, the POE filter achieved good long-term removal (up to 7 months household equivalent) of the United States Environmental Protection Agency and Australian Drinking Water Guidelinesregulated PFAS. This study provides benchmark data for the long-term removal of precursors and PFAS using POE treatment systems for household or business water supply impacted by PFAS-contaminated water.

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Section: Article Impact Statementmentioning

confidence: 79%

Point‐of‐entry water filter for removal of per‐ and poly‐fluoroalkyl substances and precursors

Natarajan

Dodds²,

Allard

et al. 2021

AWWA Water Science

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“…The percent propensities listed in Table S2 were calculated as the number of instances in which the chemical compound adopts the binding mode divided by the total number of instances the chemical compound was bound to CM. Given that each binding mode of each toxic compound binding to CM was identified using distance-based criteria (e.g., cutoff of 3.5 Å), 51 the combinations of interactions that are characteristic to each binding mode are occurring in all instances of each detected mode. It is also worth noting that the individual interactions comprising a binding mode can be present in additional (less) prevalent binding modes as well, either independently or in different combinations.…”

Section: ■ Resultsmentioning

confidence: 99%

“…Additionally, we showed that minimalistic simulations are sufficient to study and elucidate the binding modes of chemical compounds binding to CM as well as provide mechanistic insights into their adsorption using in-house structural analysis programs developed in our previous studies. 51 Additionally, we reported the overall fundamental structural and physicochemical properties of the studied chemicals that contribute to their adsorption properties to the clay. Moreover, we showed that such simulations are sufficient to study and elucidate the binding modes of chemical compounds binding to CM as well as provide mechanistic insights into their adsorption using in-house structural analysis programs developed in our previous studies.…”

Section: ■ Introductionmentioning

confidence: 99%

“…Moreover, we showed that such simulations are sufficient to study and elucidate the binding modes of chemical compounds binding to CM as well as provide mechanistic insights into their adsorption using in-house structural analysis programs developed in our previous studies. 51 ■ MATERIALS AND METHODS Experimental Methods. Adsorption Isotherm Experiments.…”

Section: ■ Introductionmentioning

confidence: 99%

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Combining Experimental Isotherms, Minimalistic Simulations, and a Model to Understand and Predict Chemical Adsorption onto Montmorillonite Clays

et al. 2021

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An attractive approach to minimize human and animal exposures to toxic environmental contaminants is the use of safe and effective sorbent materials to sequester them. Montmorillonite clays have been shown to tightly bind diverse toxic chemicals. Due to their promise as sorbents to mitigate chemical exposures, it is important to understand their function and rapidly screen and predict optimal clay–chemical combinations for further testing. We derived adsorption free-energy values for a structurally and physicochemically diverse set of toxic chemicals using experimental adsorption isotherms performed in the current and previous studies. We studied the diverse set of chemicals using minimalistic MD simulations and showed that their interaction energies with calcium montmorillonite clays calculated using simulation snapshots in combination with their net charge and their corresponding solvent’s dielectric constant can be used as inputs to a minimalistic model to predict adsorption free energies in agreement with experiments. Additionally, experiments and computations were used to reveal structural and physicochemical properties associated with chemicals that can be adsorbed to calcium montmorillonite clay. These properties include positively charged groups, phosphine groups, halide-rich moieties, hydrogen bond donor/acceptors, and large, rigid structures. The combined experimental and computational approaches used in this study highlight the importance and potential applicability of analogous methods to study and design novel advanced sorbent systems in the future, broadening their applicability for environmental contaminants.

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“…Therefore, in this study, we also included a battery of 3 living organisms to validate the safety and detoxification efficacy of sorbent inclusion in the culture medium. Previously, the morphological response of Hydra vulgaris has been widely used to indicate the toxicity of environmental aqueous samples. − This method has been used alongside an in vitro gastrointestinal model, mammalian cell culture model, and in silico molecular dynamics simulations − for screening purposes. Lemna minor is an aquatic floating plant and a recommended species to monitor water pollutants in ecotoxicity studies .…”

Section: Introductionmentioning

confidence: 99%

Application of Edible Montmorillonite Clays for the Adsorption and Detoxification of Microcystin

Rivenbark

Gong

Wright

et al. 2021

ACS Appl. Bio Mater.

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Exposure to microcystins (MCs) in humans and animals commonly occurs through the consumption of drinking water and food contaminated with cyanobacteria. Although studies have focused on developing water filtration treatments for MCs using activated carbon, dietary sorbents to reduce the bioavailability of MCs from the stomach and intestines have not been reported. To address this need, edible calcium and sodium montmorillonite clays were characterized for their ability to bind MC containing leucine and arginine (MC-LR) under conditions simulating the gastrointestinal tract and compared with a medical-grade activated carbon. Results of in vitro adsorption isotherms and thermodynamics showed that binding plots for MC-LR on montmorillonites fit the Langmuir model with high binding capacity, affinity, Gibbs free energy, and enthalpy. The in silico results from molecular modeling predicted that the major binding mechanisms involved electrostatics and hydrogen bonds, and that interlayers were important binding sites. The safety and detoxification efficacy of the sorbents against MC-LR were validated in a battery of living organisms, including Hydra vulgaris, Lemna minor, and Caenorhabditis

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Enhanced adsorption of per- and polyfluoroalkyl substances (PFAS) by edible, nutrient-amended montmorillonite clays

Cited by 74 publications

References 35 publications

Point‐of‐entry water filter for removal of per‐ and poly‐fluoroalkyl substances and precursors

Point‐of‐entry water filter for removal of per‐ and poly‐fluoroalkyl substances and precursors

Combining Experimental Isotherms, Minimalistic Simulations, and a Model to Understand and Predict Chemical Adsorption onto Montmorillonite Clays

Application of Edible Montmorillonite Clays for the Adsorption and Detoxification of Microcystin

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