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Frontiers in Materials ·

Volume 13 - 2026 | https://doi.org/10.3389/fmats.2026.1804165

A chemically tuned La@MOF-808 adsorbent for simultaneous removal of Per- and polyfluoroalkyl substances (PFAS), arsenic, and lead from aqueous solutions

  • Hassan Nawaz1
  • Gregg P. Kotchey1
  • David V. P. Sanchez1,2*corresponding author
  1. 1Department of Civil and Environmental Engineering, Swanson School of Engineering, University of Pittsburgh, Pittsburgh, PA, United States
  2. 2Mascaro Center for Sustainable Innovation, Swanson School of Engineering, University of Pittsburgh, Pittsburgh, PA, United States
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Abstract

The pervasive co-contamination of water resources by per - and polyfluoroalkyl substances (PFAS), arsenic [As(V)], and lead (Pb 2+ ) presents a critical environmental challenge due to their high toxicity and distinct chemical behaviors. Conventional adsorbents are often limited in their ability to address such complex multi-contaminant systems simultaneously. In this study, a lanthanum-modified metal-organic framework (La@MOF-808) was evaluated for the concurrent removal of PFAS, As(V), and Pb 2+ from aqueous solutions. Batch adsorption experiments showed substantial adsorption of the tested contaminants, with Langmuir-derived maximum adsorption capacities ( q max ) of 307.7 mg g -1 for As(V), 223.2 mg g -1 for Pb 2+ , and 254.4–267.7 mg g -1 for the grouped short- and long-chain PFAS mixtures, respectively. The presence of co-contaminants influenced PFAS adsorption, with As(V) and Pb 2+ increasing the removal of selected PFAS compounds, such as ADONA and PFDA, while competitive effects were observed for some ultra-short-chain PFAS. Thermodynamic analysis yielded negative ΔG° values and positive ΔH° values, indicating spontaneous and endothermic adsorption under the tested conditions. Kinetic analysis showed that both pseudo-first order and pseudo-second order models described the experimental data, with the pseudo-second-order model providing a slightly better overall fit. The observed adsorption trends suggest that electrostatic interactions contribute to contaminant uptake, while other surface interactions may also be involved. Overall, La@MOF-808 showed potential for simultaneous adsorption of PFAS, As(V), and Pb 2+ from multicomponent aqueous systems.

Keywords

1 Introduction

Per- and polyfluoroalkyl substances (PFAS), a class of highly stable contaminants, have been widely detected in various environmental compartments due to their extensive use in industrial processes and commercial products (Hubert et al., 2024). PFAS have been detected in soil (Hale et al., 2017), groundwater (Teymoorian et al., 2023), drinking water (Hubert et al., 2024), landfill leachate, and wastewater treatment sludge (Fredriksson et al., 2022). The strong carbon-fluorine bond in PFAS molecules contribute to their high physical, chemical, and biological stability, facilitating their bioaccumulation in organisms (Li et al., 2023). More broadly, recent advances in fluorinated organic chemistry have highlighted the distinctive chemical properties and stability associated with fluorinated structures (Mou et al., 2024; Cui et al., 2025), which helps explain the persistence of fluorinated contaminants such as PFAS in the environment. Due to their widespread production and use, PFAS have become contaminants of global concern (Li et al., 2023; Elgarahy et al., 2024). A large variety of PFAS have been detected globally, including in remote Arctic regions (Guruge et al., 2011), with concentrations ranging from pg/L to µg/L levels (Rayne and Forest, 2009). In the United States, PFAS-contamination has been reported at numerous sites, including drinking water systems (Demirel et al., 2026; Liang et al., 2012).

The hazardous nature of PFAS is underscored by toxicological studies reporting associations with adverse health outcomes, including neurological, liver, and pulmonary effects, hormonal imbalances, as well as increased risks of kidney and testicular cancers (Barry et al., 2013; Basak et al., 2026; Basak and Das, 2025a; Dickman and Aga, 2022; Fenton et al., 2020; Gaballah et al., 2020; Romano et al., 2016; Rosen et al., 2018; Sinclair et al., 2020; Timmermann et al., 2017; Wang et al., 2015). Due to these concerns, the production and use of perfluorooctanoic acid (PFOA) and perfluorooctane sulfonic acid (PFOS) have been restricted under the Stockholm Convention on Persistent Organic Pollutants (Pan et al., 2020). Consequently, manufacturers have transitioned to shorter-chain alternatives such as perfluorobutanoate (PFBA), perfluorobutane sulfonate (PFBS), and hexafluoropropylene oxide dimer acid (GenX). However, these compounds also exhibit environmental persistence, and their long-term environmental and health impacts remain under investigation (Li et al., 2023).

In parallel, metals such as arsenic (As) and lead (Pb2+) are well-established drinking water contaminants associated with serious health effects, prompting the World Health Organization (WHO) and the United States Environmental Protection Agency (USEPA) to establish stringent regulatory limits in drinking water (Atallah et al., 2018; Basak and Das, 2025b; 2025a; Ciopec et al., 2021; Hao et al., 2018; Jian et al., 2015; Mladin et al., 2022; Samimi and Shahriari-Moghadam, 2021). Arsenic contamination alone is estimated to affect approximately 140 million people across 70 nations (Dhane et al., 2024). Given the toxicity and persistence of both PFAS and heavy metals, adsorption-based treatment technologies have attracted significant attention because of their operational simplicity and relatively low cost (Das et al., 2019; Ganguly et al., 2017; Liu et al., 2015; Shamshad and Ur Rehman, 2025). However, conventional adsorbents such as granular activated carbon (GAC) and ion-exchange resins may exhibit reduced effectiveness for highly mobile short-chain PFAS and can be affected by competition from co-occurring contaminants (Du et al., 2014; Kennedy et al., 2015; Park et al., 2020a; Woodard et al., 2017; Haddad et al., 2019).

Functionalized metal-organic frameworks (MOFs), including ZIF-7, ZIF-8, MOF-808, UiO-66, MIL-101(Cr), and NU-1000, have been investigated as adsorbents for PFAS and metal removal because of their tunable pore structures and surface chemistries (Ateia et al., 2018; Park et al., 2020b). Recent studies have also highlighted the use of advanced modeling and optimization approaches to evaluate adsorption performance and guide the development of MOF-based adsorbents (Huang et al., 2026). In the previous studies, La@MOF-808 demonstrated high adsorption capacities for As and Pb2+ (Nawaz et al., 2023, 2025; Sekizkardes et al., 2019; Yohannes et al., 2021). UiO-66-type MOFs have also been studied for metal removal, with amino-functionalized variants showing enhanced Pb2+ uptake relative to the parent material (Li et al., 2017). Despite these advances, the simultaneous treatment of water containing PFAS and co-occurring contaminants remains insufficiently explored (Li et al., 2024). The co-occurrence of these contaminants has been increasingly reported in impacted water systems influenced by industrial activities, landfills, and agricultural practices (Li et al., 2024; Zhang et al., 2023). While many studies have focused on the removal of individual contaminants, limited information is available on the performance of MOF-based adsorbents under multicomponent conditions. Lanthanum (La3+) incorporation into MOF-808 has been reported to enhance adsorption of oxyanion contaminants such as arsenate and changes the surface properties of the framework, which may also effect PFAS adsorption (Nawaz et al., 2023, 2025; Sekizkardes et al., 2019).

To the best of our knowledge, previous studies have mainly investigated MOF-808, UiO-66, ZIF-based materials, activated carbon, ion-exchange resins, or lanthanum-based adsorbents for the removal of individual PFAS, arsenic, or lead contaminants. In contrast, the present study evaluates La@MOF-808 as a multifunctional adsorbent for the simultaneous removal of a suite of PFAS compounds, As(V), and Pb2+. The study therefore focuses on adsorption behavior under both single- and multicomponent conditions rather than evaluating each contaminant independently. The objectives of this study were to evaluate the adsorption performance of La@MOF-808 in single- and multicomponent systems and to investigate the effects of initial concentration, pH, and temperature. The results provide new information on the adsorption behavior of multiple PFAS compounds in the presence of As(V) and Pb2+ and on the suitability of La@MOF-808 for treating multicomponent aqueous systems.

2 Experimental section

2.1 Chemical reagents, synthesis, and characterization

The synthesis of La@MOF-808 involved the use of zirconium oxychloride (ZrOCl2·8H2O, purity: 98%), trimesic acid (H3BTC, purity: 95%), formic acid (molecular weight: 46.03 g/mol), N, N-Dimethylformamide (DMF, purity: 99%), lanthanum trioxide (La2O3, purity: 99.9%), and acetone (molecular weight: 58.08 g/mol). A suite of 15 PFAS compounds was procured from Sigma-Aldrich (Germany), with individual purity levels ranging from 95% to ≥98%. These compounds were categorized as four ultra-short-chain PFAS (PFBA, PFPeA, PFBS, and 4:2FTS), seven short-chain PFAS (6:2FTS, PFHxA, PFHpA, PFHxS, PFPeS; ADONA; and HFPO-DA), and four long-chain PFAS (PFOA, PFNA, PFDA, and PFOS). Their chemical structures are illustrated in Supplementary Figure S1, highlighting differences in carbon-chain length and terminal groups. For the adsorption studies, sodium hydrogen arsenate (Na2HAsO4⋅7H2O, purity: >98%) was used as the arsenic source; therefore, all arsenic results reported in this study correspond to As(V). Lead was introduced as soluble Pb(NO3)2. Hydrochloric acid (HCl) and sodium hydroxide (NaOH) were used for pH adjustment.

The zeta potential of MOF-808 has been reported to be approximately pH 4.0 (Chang et al., 2022), with the material surface reported to be positively charged below this pH and negatively charged above it. This behavior is relevant to the adsorption of anionic PFAS species, which remain predominantly deprotonated over the experimental pH range. All chemicals were of analytical grade and were used as received without further purification.

The synthesis of La@MOF-808 was adapted from our previous work (Nawaz et al., 2023). Briefly, ZrOCl2.8H2O (1.82 g) and H3BTC (1.12 g) were dissolved in a mixed solvent of DMF (50 mL) and formic acid (50 mL). La2O3 (1.25 g) was then added to the solution. The mixture was stirred at 100 ° C for 1h, sonicated for 10 min, and transferred to a sealed reactor for solvothermal treatment at 120 ° C for 24 h in a heating oven. The resulting solid was filtered, washed thoroughly with DMF, and dried at 90 ° C for 12 h to obtain La@MOF-808.

The La@MOF-808 material was prepared as a bulk batch following the previously reported synthesis procedure. The material used in the present adsorption experiments was obtained from this bulk batch. Structural and physicochemical characterization of La@MOF-808, including powder X-ray diffraction (PXRD), Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), and scanning electron microscopy (SEM), was reported in our previous study (Nawaz et al., 2023). No additional material characterization was performed in the present study.

2.2 Study design

To evaluate the adsorption performance of La@MOF-808 under single- and multicomponent conditions, eight experimental solutions were prepared in triplicate containing different combinations of PFAS (suite of 15 PFAS compounds), As(V), and Pb2+. The initial concentrations were selected according to the objective of each experiment rather than to represent a single environmental water matrix. The experimental matrix is summarized in Table 1.

TABLE 1. Experimental matrix used to assess the individual and combined effects of PFAS, As(V), and Pb2+ adsorption by La@MOF-808.

Sr. No.Sample IDPFASArsenic (As(V))Lead (Pb2+)Label
1S1+--+PFAS-As-Pb2+
2S2-+--PFAS+As-Pb2+
3S3--+-PFAS-As+Pb2+
4S4++-+PFAS+As-Pb2+
5S5+-++PFAS-As+Pb2+
6S6-++-PFAS+As+Pb2+
7S7++++PFAS+As+Pb2+
8S8----PFAS-As-Pb2+

Samples with the “+*” indicate that the associated contaminant was present, and “-” indicates that it was not present in the corresponding sample.

2.3 Batch adsorption experiments

The synthesized La@MOF-808 was dried under vacuum at 120 °C for 24 h prior to use. Batch adsorption experiments were conducted in triplicate. For each experiment, 10 mg of La@MOF-808 was added to 60 mL of aqueous solutions in 100 mL polypropylene centrifuge tubes. Different experimental conditions were used to evaluate co-contaminant effects, concentration-dependent adsorption, and the effects of pH and temperature. For the co-contaminant experiments evaluating the effects of As(V) and Pb2+ on PFAS removal (Figure 1), each of the 15 PFAS compounds was prepared at 0.08 μg/L, while As(V) and Pb2+ were each present at an initial concentration of 10 mg/L. For the concentration-dependent adsorption experiments, the total initial concentration of the short-chain and long-chain PFAS mixtures was varied from 0.01 μg/L to 200 mg/L. The short-chain mixture contained 11 PFAS compounds, and the long-chain mixture contained 4 PFAS compounds, with the individual compounds prepared at equal concentrations within each mixture. After equilibration, each PFAS compound was quantified individually, and the corresponding adsorption capacities were summed to obtain the total adsorption capacity of the mixture. As(V) and Pb2+ were evaluated separately over an initial concentration range of 5–300 mg/L. The suspensions were shaken at 25 °C for 24 h to approach equilibrium. After equilibration, samples were centrifuged at 8000 rpm for 10 min and then filtered through a 0.22 µm membrane filters prior to analysis.

Effect of co-occurring contaminants on the normalized concentration of fifteen PFAS compounds after adsorption onto La@MOF-808. Panels represent experiments with **(a)** PFAS only, **(b)** PFAS and As(V), **(c)** PFAS and Pb<sup>2+</sup>, and **(d)** PFAS, As(V), and Pb<sup>2+</sup>. In each panel, the normalized concentration of each of the fifteen PFAS compounds is shown before (blue bars) and after (red bars) adsorption onto La@MOF-808.
Figure 1. Effect of co-occurring contaminants on the normalized concentration of fifteen PFAS compounds after adsorption onto La@MOF-808. Panels represent experiments with (a) PFAS only, (b) PFAS and As(V), (c) PFAS and Pb2+, and (d) PFAS, As(V), and Pb2+. In each panel, the normalized concentration of each of the fifteen PFAS compounds is shown before (blue bars) and after (red bars) adsorption onto La@MOF-808.

The equilibrium adsorption capacity (qe) was calculated using Equation 1:

q e = C O ‐ C e V m (1)

Where, C0 represents the initial concentration of PFAS, As(V), or Pb2+ in the solution (mg/L), Ce represents the equilibrium concentration of corresponding contaminant in solution (mg/L), V represents the solution volume (L), and m denotes the mass of the La@MOF-808 adsorbent employed (g). For PFAS, equilibrium concentrations were determined individually for each compound. For the grouped PFAS isotherms, C0 and Ce represent the total initial and equilibrium concentrations of the corresponding PFAS mixture, respectively, while qe represents the sum of the adsorption capacities calculated for the individual PFAS compounds in that mixture. Quality control measures included calibration curves, method detection limits (MDLs), triplicate analyses, and blank controls.

2.4 Effect of pH and temperature

To evaluate the impact of pH and temperature, separate batch experiments were performed using PFAS mixtures (50 mg/L total concentration), As(V) (100 mg/L), and Pb2+ (100 mg/L). For pH studies, the solution pH was adjusted from 2 to 11 using 1.0 M NaOH or HCl. For the temperature experiment, adsorption was evaluated at 25, 40, and 55 °C.

2.5 Analytical methods

PFAS concentrations were measured using a TSQ Quantis triple-quadrupole mass spectrometer (Thermo Fisher Scientific, USA). As(V) and Pb2+ were analyzed using ICP-OES (Agilent 5100). Chromatographic separation of PFAS was achieved using a BEH (ethylene bridged hybrid) C18 column (50 mm × 2.1 mm, 1.7 µm particle size) with a binary mobile phase consisting of 0.1% formic acid in water and acetonitrile. The retention time for PFAS was 1.4 min at a flow rate of 200 μL/min. A strong linear correlation (R2 > 0.99) was observed over the PFAS calibration range of 0–100 μg/L. For As(V) and Pb2+, different calibration solutions were used in the range of 0–300 mg/L. Samples with concentrations above the calibration range were appropriately diluted prior to instrumental analysis, and the measured concentrations were corrected using the corresponding dilution factors. Quality-control samples, including calibration verification standards, blanks, and replicate analyses, were used to confirm analytical performance throughout the measurements. To ensure the accuracy of the adsorption performance data, solution chemistry parameters including pH, ionic strength, and background electrolyte composition were controlled. Specifically, for both metal and PFAS adsorption experiments, a controlled aqueous matrix with KCl as the background electrolyte was used across the experiments. Although electrochemical sensing was not employed in the present study, emerging electrochemical approaches may provide complementary opportunities for rapid and trace-level monitoring of contaminants in treated water (Xie et al., 2024).

2.6 Writing/editing

AI-assisted language editing tools were used to improve grammar, clarity, and conciseness. All scientific content, interpretations, and final text were reviewed and approved by the authors.

3 Results and discussions

3.1 The effect of As(V) and Pb2+ on PFAS removal

3.1.1 Long- chain and short- chain PFAS

Individual PFAS compounds within the 15-compound mixture were evaluated for removal by La@MOF-808 under single- and co-contaminant conditions. The PFAS mixture contained four ultra-short chains (PFBA, 4:2FTS, PFPeA, PFBS), seven short-chain (6:2FTS, PFHxA, PFHpA, PFHxS, PFPeS, ADONA, HFPO-DA), and four long-chain (PFOA, PFNA, PFDA, PFOS) compounds. For these experiments, the each of the 15 PFAS compounds was prepared at an initial concentration of 0.08 μg/L in the mixture. As(V) and Pb2+ were each introduced at an initial concentration of 10 mg/L in the corresponding co-contaminant experiments. The equilibrium concentration of each PFAS compound was measured individually to evaluate changes in PFAS removal associated with the presence of As(V) and/or Pb2+. The results are presented in Figure 1.

3.1.2 Co-contaminant effects on PFAS removal by La@MOF-808

The presence of As(V), Pb2+, or both influenced the removal efficiency of individual PFAS compounds from the 15-compound PFAS mixture. Because each PFAS compound was initially present at the same concentration, the relative changes in residual concentration allow comparison of PFAS -specific removal responses under the different co-contaminant conditions.

The presence of As(V) enhanced the removal of 4:2FTS, PFHxS, and PFDA, suggesting that the presence of As(V) did not uniformly inhibit PFAS adsorption and that its effect was PFAS-specific. The observed changes may be related to differences in the interactions of individual PFAS compounds with the La@MOF-808 surface. Previous studies have reported interactions between metal sites and anionic functional groups such as carboxylate and sulfonate groups (Liu et al., 2015; Tan et al., 2023). However, these interactions were not directly characterized in the present study. However, the specific contribution of La3+ sites to PFAS adsorption was not directly verified in the present study because La3+ content, La3+/Zr ratio, La3+ distribution, and La3+ leaching was not experimentally determined. Therefore, the role of La3+ sites are considered a possible contribution rather than a confirmed adsorption mechanism. The increased removal of ADONA and PFDA, which do not contain sulfonate moieties, suggests that factors other than interactions with sulfonate groups may also contribute. However, these possible interactions were not directly investigated in the present study.

In contrast, Pb2+ increased the removal of several PFAS, including 6:2FTS, PFOA, ADONA, HFPO-DA, PFHxS, PFDA, and the detectable long-chain PFAS compounds. The reduced removal observed for some PFAS in the presence of As(V) may indicate competitive adsorption because anionic As(V) species and PFAS functional groups may interact with overlapping adsorption sites within the framework (Bei et al., 2014; Liu et al., 2015). In contrast, the enhancement observed in the presence of Pb2+ may be related to interactions between Pb2+ and anionic PFAS functional groups. Pb2+ could potentially act as a cation bridge between the adsorbent surface and PFAS molecules, thereby creating additional localized interactions (Bei et al., 2014). This proposed cation-bridging mechanism could help explain why PFAS removal increased for some compounds when Pb2+ was present. However, the present experiments did not directly determine the chemical state or surface coordination environment of Pb2+ after adsorption. Therefore, Pb2+ bridging remains a hypothesis based on the observed changes in PFAS removal and cannot be confirmed from the present data alone.

Importantly, when both As(V) and Pb2+ were present, a more complex response was observed. Removal efficiencies increased for 6:2FTS, ADONA, HFPO-DA, PFNA, PFHxS, PFPeS, and PFDA, whereas PFBA, 4:2FTS, PFHxA, PFHpA, and PFBS showed reduced uptake. These results suggest that, in multicomponent systems, the presence of Pb2+ may partially offset the competitive effect of As(V) for some PFAS compounds. The observed behavior may result from the combined effects of electrostatic interactions, competition for adsorption sites, contaminant-specific interactions, and a possible cation-bridging effect. However, because post-adsorption characterization and direct measurements of La3+ and Pb2+ speciation were not performed, these mechanisms cannot be confirmed from the present data. Overall, La@MOF-808 showed different adsorption responses toward PFAS depending on the presence and combination of As(V) and Pb2+, demonstrating the importance of evaluating adsorbent performance under multicomponent conditions.

3.1.3 Influence of PFAS chain length on removal efficiency

A comparative analysis of PFAS chain length and removal efficiency trends revealed distinct patterns (Table 2).

TABLE 2. Relative changes in PFAS removal performance in the presence of As(V), Pb2+, or Both.

PFAS componentChain lengthAs(V) addedPb2+ addedAs(V) & Pb2+ added
PFBAUltra-short
4:2FTSUltra-short
PFPeAUltra-short--
PFBSUltra-short-
6:2FTSShort
PFHxAShort
PFHpAShort-
PFHxSShort
PFPeSShort
ADONAShort
HFPO-DAShort
PFOALong-
PFNALong
PFDALong
PFOSLongN.D.N.D.N.D.

“” = indicates a relative increase.

“” = indicates a relative decrease.

“-” = indicates no measurable change.

“N.D.” = indicates not detected.

*To maintain consistent ionic strength across all trials, experiments were conducted in a controlled aqueous matrix. While the presence of As(V) and Pb2+ introduced additional ions into the system, their concentrations were selected to enable controlled comparison of co-contaminant effects under the experimental conditions. The controlled ionic strength minimized variability in solution chemistry among experimental conditions and allowed comparison of the relative effects of As(V) and Pb2+ on PFAS removal. However, specific molecular interactions responsible for the observed competitive or enhanced adsorption behavior were not directly characterized in this study.

In general, longer-chain PFAS showed higher removal than several shorter-chain PFAS, which may be related to stronger hydrophobic interactions and greater affinity for the porous framework. Several ultra-short-chain PFAS showed relatively lower removal than longer-chain compounds, consistent with previous reports that short-chain PFAS can be more difficult to remove by adsorption (Neuwald et al., 2022).

Short-chain PFAS displayed more variable responses. PFHxA and PFHpA showed decreased or negligible changes in removal under the tested co-contaminant conditions. In contrast, PFHxS, PFPeS, ADONA, and HFPO-DA exhibited improved removal when Pb2+ was present. Among the long-chain PFAS, PFOS concentrations after adsorption were consistently below the method detection limit (0.01 μg/L) under all experimental conditions, indicating substantial removal. However, the exact removal efficiency and equilibrium adsorption capacity could not be quantified from the measured data. PFOA and PFNA exhibited decreased removal in the presence of As(V), whereas the detectable long-chain PFAS compounds showed increased removal when Pb2+ was present. PFDA exhibited improved removal in all co-contaminant scenarios. These results indicate that PFAS chain length and functional-group chemistry influence adsorption behavior. The higher removal observed for several long-chain PFAS may be related to hydrophobic interactions and greater affinity for the porous framework; however, the present experiments do not allow the relative contribution of these interactions to be quantified.

3.1.4 Influence of Initial concentration

Adsorption experiments were conducted over a range of initial concentrations to evaluate the adsorption capacities of La@MOF-808 for As(V), Pb2+, and PFAS. For PFAS, two separate mixtures were evaluated: a short-chain PFAS mixture containing eleven compounds (Table 2) and a long-chain PFAS mixture containing four compounds (Table 2). Within each mixture, the individual PFAS compounds were prepared at equal initial concentrations, while the total concentration of the respective PFAS mixture was varied from 0.01 μg/L to 200 mg/L. Thus, the reported PFAS concentration for each isotherm point represents the total initial concentration of the corresponding PFAS mixture rather than the concentration of an individual PFAS compound. After equilibration, the residual concentration of each PFAS compound was determined individually. The adsorption capacity of each compound was calculated from its measured initial and equilibrium concentrations, and the individual adsorption capacities were combined to obtain the total adsorption capacity of the corresponding short-chain or long-chain PFAS mixture. The resulting grouped adsorption data were used for Langmuir and Freundlich modeling. In contrast, As(V) and Pb2+ adsorption experiments were conducted over an initial concentration range of 5–300 mg/L, and the isotherm data were analyzed separately using the Langmuir and Freundlich models. All concentration values were converted to mg/L during adsorption model calculations.

The data were analyzed using the Langmuir (Equation 2) and Freundlich (Equation 3) models (Nawaz et al., 2023).

q e = q m K L C e 1 + K L C e (2)

Log q e = Log K F + 1 n Log C e (3)

Table 3 presents the Langmuir and Freundlich model parameters obtained from the experimental equilibrium data. The Langmuir model estimated adsorption capacities of 307.7 mg g-1 for As(V), 223.2 mg g-1 for Pb2+, 254.4 mg g-1 for the short-chain PFAS mixture, and 267.7 mg g-1 for the long-chain PFAS mixture. For the PFAS systems, these values represent grouped adsorption capacities obtained from mixtures containing multiple PFAS compounds at equal initial concentrations and should therefore not be interpreted as compound-specific adsorption capacities. The reported values are parameters estimated by fitting the Langmuir equation to the complete equilibrium concentration dataset and do not represent directly measured adsorption capacities at a single initial concentration. The Langmuir model provided a higher correlation coefficient (R *2*) than the Freundlich model for As(V), Pb2+, and the short-chain PFAS mixture, indicating that the Langmuir equation provided a better empirical fit to these experimental datasets. However, the Langmuir fit for the long-chain PFAS mixture was comparatively lower (R *2* = 0.879) than that for the other datasets and was close to the Freundlich fit (R *2* = 0.857). This indicates that the Langmuir model did not describe the long-chain PFAS data as well as it described the other contaminants. The lower fitting accuracy may reflect heterogeneity in the adsorption environment and differences in PFAS molecular structure and functional groups. Therefore, the Langmuir model is used here as an empirical description of the experimental equilibrium data, and the fitted values should not be interpreted as direct evidence of monolayer adsorption or a specific adsorption mechanism. The experimental equilibrium data and corresponding Langmuir and Freundlich fits for As(V), Pb2+, the grouped short-chain PFAS mixture, and the grouped long-chain PFAS mixture are presented in Figure 2.

TABLE 3. Langmuir and Freundlich isotherm model parameters for As(V), Pb2+, and grouped short-chain and long-chain PFAS mixtures using La@MOF-808.

MaterialPollutantLangmuir modelFreundlich model
qm (mg g-1)KL (L mg-1)R2KF1 nR2
La@MOF-808As(V)307.70.1890.99153.480.5420.921
Pb2+223.20.0160.90950.750.4390.823
Short-chain PFAS mixture254.40.1810.99155.320.4460.827
Long-chain PFAS mixture267.70.2090.87957.590.4920.857
Experimental equilibrium adsorption data and corresponding Langmuir and Freundlich isotherm fits for **(a)** As(V), **(b)** Pb<sup>2+</sup>, **(c)** grouped short-chain PFAS mixture, and **(d)** grouped long-chain PFAS mixture using La@MOF-808.
Figure 2. Experimental equilibrium adsorption data and corresponding Langmuir and Freundlich isotherm fits for (a) As(V), (b) Pb2+, (c) grouped short-chain PFAS mixture, and (d) grouped long-chain PFAS mixture using La@MOF-808.

3.1.5 Influence of pH

The removal efficiency of La@MOF-808 for both short-chain and long-chain PFAS was highest at an initial pH of 4.0 (Figure 3), while the maximum removal of As(V) and Pb2+ was observed at approximately pH 5.0. The PFAS compounds investigated in this study are strong acids with reported pKa values (Balasuryia et al., 2025), indicating that they exist predominantly in their anionic form across the entire tested pH range (2.0–7.0).

Effect of pH on the removal efficiency (%) of As(V), Pb<sup>2+</sup>, short-chain PFAS, and long-chain PFAS compounds by La@MOF-808.
Figure 3. Effect of pH on the removal efficiency (%) of As(V), Pb2+, short-chain PFAS, and long-chain PFAS compounds by La@MOF-808.

At pH 4.0, removal rates greater than 87% were observed for most PFAS compounds, indicating that favorable electrostatic interactions between the positively charged La@MOF-808 surface and anionic PFAS contributed to removal. At higher pH values (≥5.0), the removal efficiency gradually decreased, likely due to competition between hydroxide ions (OH−) and anionic PFAS for available adsorption sites (Chang et al., 2022). The strong removal of As(V) and Pb2+ suggests that, in addition to electrostatic attraction, other surface interactions may contribute to their uptake. Coordination-driven metal-ion capture involving oxygen- and nitrogen-containing binding sites has also been reported under acidic aqueous conditions (Luo et al., 2026). However, because post-adsorption characterization was not performed in the present study, the specific interactions responsible for As(V) and Pb2+ uptake cannot be confirmed.

The highest PFAS removal was observed at pH 4.0, whereas maximum As(V) and Pb2+ removal occurred at approximately pH 5.0 (Supplementary Table S1). Overall, the results identify an acidic operating window around pH 4–5 for simultaneous treatment of the tested contaminants. In this range, the surface charge of La@MOF-808 remains favorable for PFAS adsorption while also supporting the removal of As(V) and Pb2+. At higher pH values, increased hydroxide concentrations may reduce removal efficiency and potentially affect the structural stability of the material. Very alkaline conditions may also affect the structural stability of the framework, as reported for related MOF systems (Bůžek et al., 2024). Therefore, maintaining the solution pH is important for achieving effective multi-contaminant removal with La@MOF-808.

3.1.6 Adsorption kinetics

To examine the adsorption rate of As(V), Pb2+, short-chain, and long-chain PFAS on La@MOF-808, the experimental data were analyzed using the pseudo-first-order (Equation 4) and pseudo-second-order (Equation 5) models (Nawaz et al., 2023). The resulting kinetic parameters are summarized in Table 4.

In q e − q t = In q e − k 1 t (4)

t q t = 1 k 2 q e 2 + t q e (5)

TABLE 4. Kinetic Modeling of As(V), Pb2+, Short-chain, and Long-chain PFAS removal by La@MOF-808

MaterialPollutantPseudo first orderPseudo second order
q(cal) (mg/g)k1 (min-1)R2q(cal) (mg/g)R2
La@MOF-808As(V)294.369.9060.994341.290.998
Pb2+138.551.2050.870158.730.896
Short-chain PFAS mixture252.218.0360.983328.940.989
Long-chain PFAS mixture308.7510.4130.979363.630.991

The equilibrium adsorption capacity is represented by qe (mg g-1), while the adsorption quantity at time t is represented by qt (mg g-1). The pseudo-first-order rate constant is represented by k1 (min-1), while the pseudo-second-order rate constant is represented by k2 (g mg-1 min-1). For the PFAS experiments, the kinetic analysis was conducted using the same grouped-mixture approach described for the equilibrium isotherms. For La@MOF-808, the correlation coefficients (R *2*) obtained from the pseudo-second-order model were slightly higher than the pseudo-first-order model (Supplementary Figure S4, S5). The improvements were modest for As(V) and PFAS, while a more noticeable increase was observed for Pb2+ (Table 4). However, the differences in R *2* were small, indicating that both models describe the experimental data reasonably well. Therefore, the pseudo-second-order model is considered to provide a marginally better fit overall.

The results indicate that the adsorption rate is influenced by interactions between the contaminants and the available surface sites of La@MOF-808 (Chang et al., 2022; Loukopoulos et al., 2024; Nawaz et al., 2023). However, the pseudo-second-order model provided a marginally better empirical fit than the pseudo-first-order model; however, the model fit alone does not establish chemisorption or identify a specific adsorption mechanism. Therefore, the kinetic results are interpreted primarily as describing the adsorption rate behavior rather than as direct evidence of a particular molecular interaction. In addition, intraparticle diffusion may also contribute to the overall process, particularly for larger PFAS molecules that diffuse through the porous structure of the MOF.

3.1.7 Thermodynamic study

The effect of temperature on the adsorption of As(V), Pb2+, short-chain PFAS, and long-chain PFAS compounds were evaluated at 25, 40, and 55 °C. The results showed a positive correlation between temperature and the adsorption capacity of La@MOF-808 for all tested pollutants (Supplementary Table S2). This indicates that the adsorption process is endothermic.

Thermodynamic parameters were calculated using (Equations 6–8) (Nawaz et al., 2023).

Δ G ° = − RT ⁡ ln ⁡ K c (6)

ln K c = Δ S ° R − Δ H ° RT (7)

Δ G ° = Δ H ° − T Δ S ° (8)

These parameters were calculated using the ideal gas constant (R = 8.314 J mol-1 K−1), the thermodynamic equilibrium constant of adsorption (Kc), and the absolute temperature (T). The experimental data showed a linear relationship between the natural logarithm of the equilibrium constant (lnKc) and the reciprocal of the absolute temperature (1/T). This linear correlation enabled the determination of thermodynamic parameters, which are summarized in (Supplementary Table S2).

The negative Gibbs free energy ΔG° values confirm the spontaneous nature of the adsorption process, while the positive enthalpy ΔH° values indicate that the adsorption process is endothermic, suggesting that slightly higher temperatures could enhance removal performance (Chang et al., 2022; Nawaz et al., 2023). The positive entropy ΔS◦ values suggest an increase in disorder at the solid-liquid interface during adsorption, indicating greater molecular randomness and freedom. These thermodynamic observations are consistent with previous reports in the literature (Chang et al., 2022). Because practical water-treatment conditions may vary seasonally and geographically, further evaluation under environmentally relevant temperatures would help determine the applicability of the observed temperature dependence.

3.2 The effect of PFAS on As(V) and Pb2+ removal

The removal efficiency of La@MOF-808 for As(V) and Pb2+ under different co-contaminant conditions is shown in Figures 4a,b. For As(V) (Figure 4a), the highest removal was observed when As(V) was present alone, whereas the presence of PFAS and/or Pb2+ resulted in higher residual As(V) concentrations and lower removal efficiency. A similar trend was observed for Pb2+ (Figure 4b), for which removal was highest when Pb2+ was present alone and decreased in the presence of PFAS and As(V). These results indicate that the presence of co-contaminants can reduce the removal of As(V) and Pb2+ by La@MOF-808, potentially because of interactions among coexisting contaminants for available adsorption sites.

Pre- (blue bars) and post (red bars) concentrations of As(V) and Pb<sup>2+</sup> by La@MOF-808 under various co-contaminant conditions. Panel **(a)** demonstrates the removal of As(V) from aqueous solutions in the presence or absence of PFAS and Pb<sup>2+</sup>, as indicated in the legend. Panel **(b)** demonstrates the removal of Pb<sup>2+</sup> from aqueous solutions in the presence or absence of PFAS and As(V).
Figure 4. Pre- (blue bars) and post (red bars) concentrations of As(V) and Pb2+ by La@MOF-808 under various co-contaminant conditions. Panel (a) demonstrates the removal of As(V) from aqueous solutions in the presence or absence of PFAS and Pb2+, as indicated in the legend. Panel (b) demonstrates the removal of Pb2+ from aqueous solutions in the presence or absence of PFAS and As(V).

For the multicomponent experiments, all 15 PFAS compounds were prepared together as a single PFAS mixture at a total initial concentration of 50 mg L-1. As(V) and Pb2+ were each present at an initial concentration of 50 mg L-1. The PFAS compounds were evaluated together as one mixture in this experiment and were not separated into short-chain and long-chain groups. The adsorption capacities shown in Figure 5 were determined from these fixed-concentration multicomponent experiments. The highest adsorption capacity for As(V) was 281.7 mg g-1 in the sample containing As(V) alone (Figure 5). Similarly, the highest Pb2+ adsorption capacity was 217.3 mg g-1 in the sample containing Pb2+ alone. The presence of co-contaminants reduced the adsorption capacities of both As(V) and Pb2+. For example, the presence of PFAS decreased the Pb2+ adsorption capacity to 180.6 mg g-1. These results further indicate that coexisting contaminants influence the adsorption behavior of La@MOF-808 under multicomponent conditions. Because post-adsorption characterization and direct measurements of surface-bound species were not performed, the specific molecular interactions responsible for these changes cannot be confirmed.

Experimental adsorption capacity of La@MOF-808 under different contaminant conditions. The bar chart shows the average adsorption capacity (mg g<sup>-1</sup>) of La@MOF-808 for PFAS, As(V), and Pb<sup>2+</sup> in single-, binary-, and ternary-contaminant systems. The x-axis labels indicate the presence (+) or absence (−) of each contaminant in the tested solution. Error bars represent the standard deviation of triplicate experiments (n = 3).
Figure 5. Experimental adsorption capacity of La@MOF-808 under different contaminant conditions. The bar chart shows the average adsorption capacity (mg g-1) of La@MOF-808 for PFAS, As(V), and Pb2+ in single-, binary-, and ternary-contaminant systems. The x-axis labels indicate the presence (+) or absence (−) of each contaminant in the tested solution. Error bars represent the standard deviation of triplicate experiments (n = 3).

4 Conclusion

This study evaluated the adsorption performance of La@MOF-808 toward As(V), Pb2+, and PFAS under single- and multicomponent aqueous solutions. The Langmuir model yielded estimated maximum adsorption capacities of 307.7 mg g-1 for As(V), 223.2 mg g-1 for Pb2+, 254.4 mg g-1 for the grouped short-chain PFAS mixture, and 267.7 mg g-1 for the grouped long-chain PFAS mixture. The PFAS values represent grouped adsorption capacities derived from mixtures of multiple PFAS compounds and should not be interpreted as compound-specific capacities. The adsorption behavior was strongly influenced by solution pH, with maximum PFAS removal observed at pH 4.0 and maximum As(V) and Pb2+ removal at approximately pH 5.0, indicating a favorable operating range of approximately pH 4–5 for the tested multicomponent system.

The presence of As(V) and Pb2+ produced PFAS-specific effects rather than a uniform increase or decrease in removal. Pb2+ enhanced the removal of several PFAS compounds, while As(V) increased the removal of selected compounds but decreased the removal of others. When both metals were present, the response varied among PFAS compounds, demonstrating that contaminant-specific properties and interactions can influence adsorption behavior in multicomponent systems. In contrast, the presence of PFAS and/or the other metal decreased the adsorption capacities of As(V) and Pb2+ under the fixed-concentration multicomponent conditions. These results highlight the importance of evaluating adsorbent performance in the presence of coexisting contaminants rather than relying solely on single-contaminant experiments.

Kinetic modeling showed that both pseudo-first-order and pseudo-second-order models described the experimental data reasonably well, with the pseudo-second-order model providing a slightly better overall empirical fit. Thermodynamic analysis yielded negative ΔG° and positive ΔH° values, indicating spontaneous and endothermic adsorption under the investigated conditions. The observed pH- and co-contaminant-dependent adsorption trends are consistent with contributions from electrostatic interactions and other contaminant–surface interactions. However, because post-adsorption characterization and direct measurements of surface-bound species or metal speciation were not performed, the specific molecular mechanisms responsible for contaminant uptake and co-contaminant effects cannot be confirmed.

Overall, La@MOF-808 demonstrated potential as a multifunctional adsorbent for the simultaneous treatment of PFAS, As(V), and Pb2+ in controlled multicomponent aqueous systems. The material may have potential for integration with downstream treatment processes. Effective control of solution conditions, particularly pH, is also important for maintaining removal performance and minimizing potential impacts on downstream treatment processes. Recent studies have highlighted the importance of pH control and membrane-process optimization for improving contaminant removal and addressing fouling and treatment challenges in practical water and wastewater treatment systems (Wu et al., 2026; Yan et al., 2026). However, the suitability of La@MOF-808 as a practical pretreatment material has not yet been demonstrated under realistic water-treatment conditions.

Several limitations should be considered. The experiments were conducted in controlled aqueous matrices rather than real or fully representative complex water and wastewater, and the effects of chloride, sulfate, carbonate, phosphate, hardness ions, natural organic matter, and other competing contaminants remain to be established. In addition, post-adsorption characterization and La3+ leaching measurements were not performed, preventing direct evaluation of changes in material structure, surface interactions, and potential La3+ release during adsorption. Regeneration and reuse of the adsorbent were also not evaluated. Therefore, the reported adsorption capacities represent laboratory-scale values obtained under the investigated experimental conditions and should not be interpreted as demonstrated treatment capacities for real water or wastewater.

Future studies should evaluate La@MOF-808 in real and simulated complex water matrices containing representative competing ions, hardness components, and natural organic matter; assess La3+ leaching, regeneration, and reuse; and characterize the adsorbent before and after adsorption using techniques such as PXRD, FT-IR, TGA, SEM, and XPS. Further investigation should also address the treatment and disposal of spent adsorbent and verify contaminant concentrations in treated water using appropriate trace-level analytical methods. These studies will be important for determining the long-term stability, environmental safety, and practical applicability of La@MOF-808 for simultaneous treatment of PFAS and co-occurring inorganic contaminants.

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Supplementary material

The Supplementary Material for this article can be found online at: https://www.frontiersin.org/articles/10.3389/fmats.2026.1804165/full#supplementary-material

Supplementary material Supplementary material at the source

Footnotes

Edited by: Yun Kong, Yangtze University, China

Reviewed by: Khalid Z. Elwakeel, Jeddah University, Saudi Arabia

Ehsan Nazarzadeh Zare, Damghan University, Iran

Statements

Conflict of interest

The author(s) declared that this work was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest.

Funding

The author(s) declared that financial support was received for this work and/or its publication. University of Pittsburgh Rust 2 Resilience Center (https://r2rcenter.pitt.edu/) supported the overall project.

Data availability

The raw data supporting the conclusions of this article will be made available by the authors, without undue reservation.

Author contributions

HN: Data curation, Formal Analysis, Investigation, Validation, Visualization, Writing – original draft, Writing – review and editing. GK: Conceptualization, Formal Analysis, Investigation, Methodology, Validation, Visualization, Writing – original draft, Data curation. DS: Conceptualization, Formal Analysis, Investigation, Methodology, Project administration, Supervision, Writing – original draft, Writing – review and editing.

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Citation

Nawaz, H., et al. (2026). A chemically tuned La@MOF-808 adsorbent for simultaneous removal of Per- and polyfluoroalkyl substances (PFAS), arsenic, and lead from aqueous solutions. Frontiers in Materials, Volume 13. https://doi.org/
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13 - 2026

Copyright

Copyright © 2026 Nawaz, Kotchey and Sanchez.

License: https://creativecommons.org/licenses/by/4.0/

*Correspondence: David V. P. Sanchez

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