CHEMICAL ENGINEERING SCIENCE
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2026
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IF 5.1
Siyi Chen,Tianming Li,Wentao Pan,Tianbin Bai,Pengxi Li,Yian Zheng
Per- and polyfluoroalkyl substances (PFAS) pose serious environmental risks due to their persistence and bioaccumulation potential. In this study, unmodified coal gasification fine slag (CGFS), an industrial solid residue, was directly used as an adsorbent for the efficient removal of C7-C9 perfluorocarboxylic acids (PFCAs) from aqueous solution, namely perfluoroheptanoic acid (PFHpA), perfluorooctanoic acid (PFOA) and perfluorononanoic acid (PFNA). Comprehensive characterization revealed that CGFS is a mesoporous adsorbent rich in carbon-based functional groups. Batch adsorption experiments demonstrated that the adsorption process was pH-dependent and exothermic, with optimal performance achieved at pH 3. The adsorption kinetics were well described by the pseudo-second-order model, whereas the equilibrium data were satisfactorily fitted by the Langmuir isotherm. The maximum adsorption capacities reached 181.5, 240.0 and 297.3 mg/g for PFHpA, PFOA and PFNA, comparable to those of widely reported carbon-based and amine-functionalized adsorbents. The adsorption process exhibited a clear chain-length dependence, favoring longer-chain PFCAs, and was governed by electrostatic attraction and hydrophobic interactions, as corroborated by density functional theory calculations. After four regeneration cycles involving desorption with 1 M NaOH solution for 3 h, CGFS retained over 80% of its initial adsorption capacity, indicating good stability and reusability. Moreover, CGFS showed promising performance in real water matrices, effectively removing organic substances and enhancing biodegradability. This work shows that low-cost CGFS can achieve high-efficiency removal of PFCAs, providing a promising strategy for the remediation of emerging PFCAs and the resource utilization of industrial solid waste.
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JOURNAL OF HAZARDOUS MATERIALS
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2026
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IF 10.6
Fenghong Wei,Pei Wang,Junjun Hu,Yanping Zheng,Xiaojia Huang
Sample preparation is critical in developing a sensitive and accurate method for the monitoring of ultrashort- to long-chain perfluorocarboxylic acids (PFCAs) in complex samples. However, it remains a formidable challenge in the simultaneous and efficient extraction of ultrashort- to long-chain PFCAs (U-L@PFCAs) due to their significantly different polarity. In this connection, the electric field-assisted microextraction (EFAM) was introduced for the first time to efficiently co-extract ultrashort- to long-chain species. According to the chemical properties of the studied U-L@PFCAs, a new microelectrode based on a monolithic adsorbent (MEMA) was tailored using diallylamine and 1,1,1,3,3,3-hexafluoroisopropyl acrylate as dual monomers and employed as the microelectrode of EFAM. Results disclosed that the application of opposite directions and different intensities of electric field at adsorption and desorption stages enhanced the increase of extraction efficiencies by 78.6–131% in comparison with the omission of electric field. In addition, the adsorption characteristics, behavior, and mechanism of MEMA@EFAM towards the investigated U-L@PFCAs were explored. Under the selected microextraction conditions, a sensitive and reliable method based on an isotope internal standard calibration curve technique for monitoring ultra-trace U-L@PFCAs in various environmental water and human urine samples was established by combining MEMA@EFAM with HPLC-MS/MS detection. Low detection limits of 0.13–1.4 ng/L and superior precision (RSDs varied from 2.8% to 9.1%) were achieved with minimum background interference. The present study provides a highly competitive alternative for the broad-spectrum monitoring of PFCAs.
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CHEMICAL ENGINEERING JOURNAL
·
2026
·
IF 12.5
Diwen Xiao,Jiahao Cao,Hongjie Wang,Wenyi Dong,Fang Ma
Fluoride ions (F − ) and per- and polyfluoroalkyl substances (PFAS) in industrial wastewater pose a serious threat to the global environment. Adsorption is the most widely used treatment technology for F − and PFAS in the field of water pollution control. However, existing zirconium-based MOFs face challenges such as the inability to synergistically and efficiently adsorb PFAS, high preparation costs, limited adsorption capacity, and an insufficiently understood adsorption mechanism in multi-component pollution systems. Here, we prepared a novel cerium/zirconium/lanthanum tri-metallic MOF (denoted as Ce/Zr/La-M) by doping low-cost metals and loaded it onto a sponge modified with dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride (DTSACL), ultimately obtaining Ce/Zr/La-MSD. The practical adsorption capacity of Ce/Zr/La-MSD for F − is 255 mg/g, which is the highest reported value at similar initial concentrations, while the removal rates for PFAS (C 6 -C 8 ) and PFAS (C 4 ) exceed 96% and 84%, respectively.DFT calculations revealed that doping with La shifted the d-band center of the metals in the MOF closer to the Fermi level, enhancing the material's electron-donating capability. A series of characterization and kinetic simulation results demonstrated that the adsorption mechanism of F − by Ce/Zr/La-MSD involves electrostatic interactions, complexation effects, ion exchange and hydrogen bonding. The primary adsorption sites for PFBA, PFBS, PFOS, and PFHxS were the quaternary ammonium groups containing three carbon atoms, whereas the primary adsorption sites for PFOA and PFHxA were the C 18 chains on DTSACL. In summary, this study provides new insights for the rational design of multifunctional adsorbents and the interpretation of their mechanisms.
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Materials Today Bio
·
2026
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IF 11
Saadullah Khattak,Salim Ullah,Muhammad Tufail Yousaf,Jianliang Shen,Xiaoqun Xu,Hong-Tao Xu
Bacterial infection and severe inflammatory responses are major barriers to successful wound healing. Drug delivery systems have shown promise in precision medicine by enhancing the targeting and protection of therapeutic agents. However, their use is limited by challenges such as biocompatibility issues, structurally complex, high manufacturing costs, suboptimal drug loading, unstable release, and premature immune clearance. Although targeted delivery aims to improve efficacy, it may increase the risk of toxicity. Consequently, conventional non-carrier drugs often remain more practical and effective. Emerging vehicle-free systems with multifunctional capabilities show promise for precise targeting, controlled release, reduced toxicity, and simplified manufacturing. Here, we rationally designed and established a vehicle-free perfluoroalkyl material (PFAS)–gallium composites (PFASs@Ga) through introducing gallium (Ga) in PFASs, taking advantage of the collective merits of Ga’s antibacterial and pro-healing properties and PFAS’s well-recognized oxygen absorption, carrying of oxygen, chemical inertness, and tunable physicochemical properties. Extensive characterization showed well-defined morphology, elemental configuration, and distinct profiles of gallium ion release. The PFUnA@Ga composite improves gallium integration, Ga release, and O 2 delivery. This allowed it to demonstrate potent broad-spectrum antibacterial activity against bacteria, including MRSA and E. coli , which are known to be resistant. In a MRSA -infected wound model, PFUnA@Ga enhances wound closure and reduces bacterial load, thereby promoting regeneration and angiogenesis. The downregulation of pro-inflammatory M1 macrophages and the upregulation of anti-inflammatory M2 macrophages and CD31 + endothelial cells, representing immunomodulatory effects that facilitate inflammation resolution and vascularization. Results confirmed the composites’ antibacterial activity and accelerated wound-healing efficacy. This multifunctional composite offers a novel approach for advanced wound management. More specifically, the synergistic approach combines metal–ion mediated bacterial inactivation with sustained oxygenation to support infection control and tissue repair.
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SEPARATION AND PURIFICATION TECHNOLOGY
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2026
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IF 9.1
Lijuan Chang,Xianli Wang,Chengbin Liu,Hang Wen,Zhijie Zhang,Chunxia Yao
Perfluorooctanoic acid (PFOA) has attracted growing attention due to its widespread occurrence and harmful effects on humans. Owing to the strong C F bonds that confer inherent stability on PFOA, achieving efficient degradation via traditional photocatalysts is highly challenging. In this study, a UiO-66-NH 2 photocatalytic-persulfate (UiO-66-NH 2 /PS) integrated system was constructed to achieve high-efficiency PFOA removal, and its underlying mechanism was systematically revealed. A zirconium-based metal–organic framework, UiO-66-NH 2 , with readily tunable porosity was successfully synthesized via a solvothermal route, and its crystal structure, microstructure, and optical absorption behavior were confirmed through comprehensive characterizations. After optimization of the reaction parameters, the UiO-66-NH₂/PS system exhibited excellent PFOA degradation performance, with a markedly enhanced removal efficiency relative to the single UiO-66-NH 2 or persulfate system. The degradation efficiency of UiO-66-NH 2 /PS system in degrading PFOA was affected by ubiquitous anions and humic acid in water. Investigation of degradation pathways revealed that the cooperative action of photogenerated holes and SO₄• − /•OH radicals progressively cleaved the recalcitrant C F bonds, with short-chain perfluorocarboxylic acids (PFCAs) including perfluoroheptanoic acid (PFHpA, C 6 F 13 COOH), perfluorohexanoic acid (PFHxA, C 5 F 11 COOH), perfluoropentanoic acid (PFPeA, C 4 F 9 COOH), and perfluorobutyric acid (PFBA, C 3 F 7 COOH) identified as the main degradation intermediates. This study proposed a high-efficiency, economical and eco-friendly approach for the mineralization of PFOA, and meanwhile shed new light on the mechanism underlying the efficient degradation of PFOA by UiO-66-based photocatalysis combined with persulfate activation.
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SEPARATION AND PURIFICATION TECHNOLOGY
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2026
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IF 9.1
Dizhi Wu,Fan Tang,Zhu Ning,Qingyan Wang,Yu Mei,Dzmitry Hrynsphan,Tatsiana Savitskaya,Jun Chen
The pervasive contamination of aquatic environments by per - and polyfluoroalkyl substances (PFAS), particularly perfluorooctanoic acid (PFOA), poses a critical challenge to global water security due to their recalcitrance and bioaccumulation. To address this, a high-performance, sustainable adsorbent (AC-HCl-NH 2 ) was developed by grafting 3-aminopropyltriethoxysilane (APTES) onto bamboo-derived activated biochar to fabricate a hierarchical amino-functionalized composite. The modified biochar exhibited outstanding adsorption performance for PFOA, achieving a maximum adsorption capacity of 163.7 mg/g. The key parameters for the APTES-mediated modification process (68.75 °C, reaction duration of 9.07 h, and APTES dosage of 0.32 g/g) were optimized through a response surface methodology (RSM) approach. Density functional theory (DFT) calculations elucidated that electrostatic attraction between protonated surface amino groups and PFOA anions is the dominant driving force. Furthermore, adsorption energy calculations confirmed a significant energetic advantage for the configuration where polar end groups are oriented toward the surface (−1.16 eV vs. -0.42 eV). Notably, in treating real dyeing wastewater containing an initial PFOA concentration of 250 ng/L, AC-HCl-NH 2 achieved a removal efficiency of 75.5%, reducing the residual concentration to approximately 61.3 ng/L. This result holds significant engineering implications, as the residual concentration successfully meets the limit of 80 ng/L mandated by Chinese Standards for Drinking Water Quality (GB 5749–2022), a benchmark unattainable by unmodified biochar. Collectively, this study validates the material's robust interference resistance in complex matrices and presents a cost-effective engineering solution for complying with increasingly stringent PFAS regulations.
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ENVIRONMENTAL SCIENCE & TECHNOLOGY
·
2026
·
IF 12.2
Huang Junhao,Zhang Lubo,Ateia Mohamed,Shi Baoyou,Huang Xin,Hu Chengzhi
The destruction of per- and polyfluoroalkyl
substances (PFAS) poses
a formidable global environmental challenge owing to their extreme
persistence and resistance to degradation. Here, we report that commercial
granular activated carbon (GAC) significantly accelerates the degradation
kinetics of perfluorocarboxylic acids (PFCAs) in dimethyl sulfoxide
(DMSO), enhancing the degradation rate by 70% and the defluorination
efficiency by 153% compared to GAC-free controls. In contrast, other
adsorbents such as molecular sieves with varied pore structures showed
no catalytic activity. Comparative experiments using modified carbon
materials and resins functionalized with different groups identified
oxygen-containing surface functional groups, specifically carboxyl
moieties, as the key catalytic sites. Density functional theory (DFT)
calculations showed that hydrogen-bonding interactions between surface
carboxyl groups and pentadecafluorooctanoic acid (PFOA) lower the
activation Gibbs free energy for decarboxylation by approximately
5.3-fold relative to the uncatalyzed pathway. This work reveals a
new catalytic role of commercial GAC and suggests a practical pathway
for simultaneous PFAS destruction and adsorbent regeneration under
substantially milder conditions than conventional thermal treatment.
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MICROCHEMICAL JOURNAL
·
2026
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IF 5.2
Dengying Long,Min Huang,Mao Jiang,Wei Huang
A dual-mode ratiometric optical strategy is developed for determination of PFOA. • PFOA induces RhB aggregation via hydrophobic interactions, realizing spectral signal regulation. • The sensing strategy does not require any probe preparation process. • Homogeneous intermolecular reactions make the analytical method stable and reliable. Owing to its persistent “forever chemical” nature, perfluorooctanoic acid (PFOA) poses long-term environmental and health risks even under strict regulation, requiring low-cost continuous monitoring. In this work, a dual-mode ratiometric optical strategy was developed for colorimetric and fluorescent detection of PFOA using commercially available rhodamine B without complex synthesis. Under acidic conditions (pH = 1.0), PFOA induces the aggregation of rhodamine B through electrostatic and hydrophobic interactions, leading to the attenuation of monomer signals (UV–Vis absorption peak at 557 nm, fluorescence emission peak at 586 nm) and the enhancement of aggregate signals (UV–vis absorption peak at 593 nm, scattering peak at 557 nm). Accordingly, a dual-mode ratiometric optical sensing platform is constructed for the quantitative detection of PFOA. The limit of detection was 4.6 μM for colorimetry and 3.1 μM for fluorescence. This sensing strategy is not suitable for quantitative analysis of trace PFOA in drinking water due to its sensitivity limitations. However, it may be applicable for monitoring of the discharge of PFOA-containing wastewater from factories and emergency responses to sudden PFOA pollution incidents due to its low cost, stable signal, and ease of on-site operation, offering a practical alternative to complex nanomaterial-based sensors for high-concentration scenarios. Owing to its persistent “forever chemical” nature, perfluorooctanoic acid (PFOA) poses long-term environmental and health risks even under strict regulation, requiring low-cost continuous monitoring. In this work, PFOA induces the aggregation of rhodamine B through hydrophobic interactions under acidic conditions, leading to the attenuation of monomer signals (UV–vis absorption peak at 557 nm, fluorescence emission peak at 586 nm) and the enhancement of aggregate signals (UV–vis absorption peak at 593 nm, scattering peak at 557 nm). Accordingly, a dual-mode ratiometric optical sensing platform is constructed for the quantitative detection of PFOA. Download: Download high-res image (97KB) Download: Download full-size image
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TOXICOLOGY AND APPLIED PHARMACOLOGY
·
2026
·
IF 3.6
Chengshuang Pan,Jingjing Li,Fuhong Tian,Chentao Ding,Shaowei Wang,Ren-shan Ge,Qianjin Fei,Yang Zhu
Per - and polyfluoroalkyl substances (PFAS) are a group of synthetic chemicals as carboxylic acid (PFCA) and sulfonic acid (PFSA) found in everyday products, from non-stick cookware to waterproof clothing, and are potential endocrine disruptors. However, whether they inhibit 17β-hydroxysteroid dehydrogenase 3 (17β-HSD3) and structure-activity relationship (SAR) and mode of action remains unclear. In this study, we screened 18 PFAS (11 PFCAs and 7 PFSAs) with different carbon-chain lengths from C4 to C14 to inhibit human and rat 17β-HSD3 from HSD17B3 -overexpressed LNCaP cells and rat testicular microsomes. Of the 11 PFCAs, 6 compounds significantly inhibited human 17β-HSD3, with IC 50 values ranging from 5.36 (C10) to 145.15 μM (C8) and a V-shaped turn at C10, and of the 7 PFSAs, only perfluorooctanesulfonic acid markedly inhibited this enzyme (IC 50 , 5.87 μM). Of the 18 PFAS, only 6 PFCAs inhibited rat 17β-HSD3, with IC 50 values ranging from 14.2 (C10) to no inhibition at 100 μM (C8). These PFAS are mixed/noncompetitive inhibitors of human and rat 17β-HSD3 enzymes. Molecular docking studies suggest that the degree of inhibition is linked to the carbon-chain length of the PFAS molecule. 3D-QSAR indicates that structural hydrophobic regions determine the inhibitory potency up to C10 (PFDA). Our in vitro observation of 17β-HSD3 inhibition represents a putative upstream mechanistic factor that may contribute to elevated reproductive dysfunction and hypogonadism risk reported in existing human epidemiological PFAS exposure cohorts. In conclusion, PFAS inhibit human and rat 17β-HSD3 with clear SAR and carbon-chain length determines their inhibitory potency, and C10 PFCA is the most potent inhibitor of human and rat 17β-HSD3.
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CHEMICAL ENGINEERING JOURNAL
·
2026
·
IF 12.5
Yuxiang Nie,RuiPeng Lai,Huaicheng Bei,Xianyu Song,Dan Liu,Limeng Yin,Shuangliang Zhao,Honglai Liu
An MD–spectroscopy–XAI framework was developed for PFAS–HS interactions • Ensemble ML accurately predicted PFAS adsorption across 410 structures • Adsorption strength increased while diffusivity decreased with PFAS size • PFAS adsorption energy negatively correlated with molecular weight ( r = −0.72) • SHAP identified MolMR, Kappa3, size, and flexibility as key driver Understanding the adsorption behavior of PFAS on humic substances (HS) is critical for predicting their environmental fate and developing effective remediation strategies. Here, we integrate molecular dynamics (MD) simulations, experimental characterization, and explainable machine learning (XAI) to resolve PFAS interactions with HS at the molecular level. Based on 410 PFAS structures, MD-derived adsorption energies reveal a clear structure-dependent adsorption trend, with a strong negative correlation (Pearson's |r| > 0.72) between molecular weight and adsorption energy magnitude. Machine learning models show robust predictive performance (R 2 > 0.88), enabling accurate adsorption-energy prediction across structurally diverse PFAS. SHAP analysis reveals that PFAS adsorption onto HS is governed by a synergistic interplay of multiple molecular descriptors rather than any single molecular property. Molar refractivity, Kappa3, Number of hydrogen bond acceptors, and molecular weight emerge as the most influential descriptors, highlighting the coupled roles of electronic polarizability, molecular topology, conformational adaptability, and size in controlling adsorption. In contrast, descriptors associated with polarity and hydration tendency are more closely linked to migration behavior. Adsorption experiments and complementary spectroscopic and microscopic characterizations consistently confirmed stronger fluorine accumulation and greater compaction of the HS matrix induced by long-chain PFAS. Overall, the results converge on a unified molecular picture in which larger, more polarizable, and structurally adaptable PFAS are preferentially retained, whereas smaller and more hydration-favored PFAS remain comparatively mobile. This work provides a physics-informed and interpretable framework for predicting PFAS transport in heterogeneous organic environments. Download: Download high-res image (229KB) Download: Download full-size image
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CHEMICAL ENGINEERING JOURNAL
·
2025
·
IF 13.2
Diwen Xiao,Wenyi Dong,Hongjie Wang,Jiahao Cao,Jie Liu,Yanhui Wang,Yang Wu,Fang Ma,Haifeng Yi
Semiconductor wastewater containing pollutants such as fluoride ions (F − ), per- and polyfluoroalkyl substances (PFAS) and heavy metals has become an increasingly severe issue. Coagulation is a conventional technique for treating semiconductor wastewater. However, existing coagulants face challenges in efficiently removing PFAS, along with issues such as high metal residues, poor settleability and low floc strength. Inspired by the insect-trapping mechanism of Drosera , we synthesized two silane-modified metal-based coagulants, with significantly enhanced performance. Among them, the Drosera -inspired zirconium-based coagulant (DZHC) outperformed the Drosera -inspired aluminum-based coagulant (DAHC) in terms of F − and PFAS removal efficiency, metal residue, settleability, floc size, Zeta potential and floc strength. Mechanistic analyses revealed that F − removal by DZHC occurs via ligand exchange between Zr-OH and F − , whereas DAHC requires initial Al F complexation followed by hydrolysis-polymerization to form coprecipitates. Additional mechanisms including electrostatic interactions, hydrogen bonding and polycondensation also contribute to defluoridation. The removal of copper citrate primarily relies on ligand exchange between metal hydroxyl groups and [Cu-citrate] − , assisted by electrostatic attraction from quaternary ammonium groups. Molecular dynamics simulations and density functional theory (DFT) calculations demonstrated that hydrophobic interactions from C18 chains on the coagulants dominate PFAS removal. In summary, this study provides a novel strategy for simplifying semiconductor wastewater treatment.
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ENVIRONMENTAL SCIENCE & TECHNOLOGY
·
2026
·
IF 11.3
Zhen Ren,Zimou Feng,Huaxing Liang,Zhiyang Zhu,Yi Yang,Xinglin Lu
The widespread use of perfluoroalkyl and polyfluoroalkyl substances (PFAS) has raised serious environmental and public health concerns, driving the urgent need for effective and scalable removal technologies. In this study, we present a surfactant-assisted ultrafiltration (UF) strategy for enhanced PFAS separation through leveraging in situ assembly of PFAS molecules with the cationic surfactant cetyltrimethylammonium bromide (CTAB). The addition of CTAB (0.14 mM) induces the formation of nanoscale complexes or micelles with PFAS, thus promoting their effective retention by UF membranes (99.1% for 0.14 mM CTAB vs 30.3% without CTAB). Moreover, both experimental and modeling results reveal a concentration polarization effect that leads to the accumulation of CTAB on the membrane surface. As such, even when the bulk concentration of CTAB is below its critical micelle concentration, localized micelle formation occurs near the membrane interface, enabling effective retention of PFAS. Notably, the CTAB-enhanced UF process is also effective in retaining other PFAS species, especially long-chain compounds such as PFHxA. Further experiments indicate that compared with electrostatic interactions, hydrophobic interactions between PFOA and CTAB play a more dominant role in forming micelles, thereby governing the subsequent retention by UF membranes. This study offers mechanistic insights into surfactant-mediated PFAS removal and presents a scalable, low-pressure membrane strategy for the effective treatment of PFAS-contaminated water.
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