CHEMICAL ENGINEERING JOURNAL
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2026
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IF 12.5
Junyu Peng,Zhaohui Luan,Wenjing Wang,Jiajia Yang,Maojun Jiang,Cuicui Guo,Jiping Chen,Jing Jin,Lidong Wu
A chain-length-tunable fluorine–amine co-functionalized adsorbent platform was developed. • Moderate perfluoroalkyl chain length (F9) strikes the optimal affinity for PFAS. • MCF@PEI-F9 exhibits robustness for PFAS (>C6) adsorption under real environmental conditions. • Synergistic electrostatic and fluorophilic interactions were elucidated by DFT calculations and spectroscopic analysis. Per - and polyfluoroalkyl substances (PFAS) persist at trace levels in water and resist conventional treatment, posing a challenge for both detection and remediation. Fluorinated adsorbents offer specific fluorophilic affinity for PFAS, yet suffer from limited capacity and a poorly understood structure-property relationship. To address this, we synthesized a series of fluorine-amine co-functionalized adsorbents (MCF@PEI-F x , x = 3, 9, 13, 17) by grafting fluorocarbon chains of varying lengths onto a PEI-modified mesocellular silica foam (MCF) platform. This design enabled systematic investigation of the chain-length-dependent adsorption performance and its underlying mechanism. Among the series, MCF@PEI-F9 exhibited the highest adsorption capacity (863 mg g −1 ), the fastest adsorption kinetics (equilibrium within 5 min), and exceptional selectivity (>99% adsorption) under pH 3–9 and coexisting components. Notably, MCF@PEI-F9 maintained >99% adsorption over five regeneration cycles and removed >95% of long-chain PFAS in real Yangtze River water. Density functional theory calculations confirmed that MCF@PEI-F9 struck an optimal balance between strong electrostatic and abundant fluorophilic interactions, with the most favorable binding affinity towards PFOA (adsorption energy: −0.376 eV). These results provide a rational design strategy for next-generation fluorinated adsorbents for PFAS enrichment and remediation, via tuning chain lengths of surface functional groups. Download: Download high-res image (208KB) Download: Download full-size image
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JOURNAL OF CHROMATOGRAPHIC SCIENCE
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2025
·Vol. 63
·期 7
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IF 1.3
Cao Lihua,Ding Youchao,Qian Kai,Wang Xiangxiang,Wang Xiaoqiong,Zhou Jia,Tang Juan
A screening method was developed for the determination of per- and polyfluoroalkyl substances in textiles by combustion and ion chromatography. In this work, a new type of high-temperature combustion absorption device was designed, and the samples were burned, cracked and gasified by temperature programmed heating mode. The produced free fluorine and hydrogen fluoride gases were absorbed by water vapor and completely transformed into inorganic fluoride anion. After condensation and collection, it was separated and determined by ion chromatography. The pre-treatment conditions were optimized including the sample weight, the combustion method, the combustion gas and its flow rate, the water evaporation rate and the condensate collection method. Method validation was performed in negative samples of cotton, wool and polyester, at spiked levels of 5, 50 and 200 mg/kg, respectively. The average recoveries were between 85.7 and 95.0% with relative standard deviations <20% (n = 7) indicating satisfactory accuracy and repeatability. The calibration curve was performed with the correlation coefficients (R2) higher than 0.999 within a linearity range of 0.01–2.0 mg/L. The limit of quantification was 5.0 mg/kg. The developed method was successfully used to determine the total fluorine in market samples. It can meet the screening determination of PFAS in various textiles.
研究领域:
分析化学
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环境科学
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材料科学
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纺织工程
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化学分析
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SCIENCE OF THE TOTAL ENVIRONMENT
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2026
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IF 8
Shuo Huang,Yueshu Lu,Zhangjiu Liao,Xiaoxuan Feng,Ali Ammar,Yanfeng Zhang,Lingyan Zhu
Column experiments have been widely applied to investigate the transport of per- and polyfluoroalkyl substances (PFAS) in the soils and derive soil-water adsorption coefficient ( K d ). However, the impacts of molecule and soil properties on K d , especially their integrated effects, remain unknown. Therefore, K d values of 13 PFAS in 10 soils were measured using miscible-displacement column experiments, and the quantitative relationships of K d with both molecule and soil properties were investigated using machine learning (ML) techniques including multiple linear regression (MLR), random forest regression (RFR) and support vector regression (SVR). The result shows that <8C PFAS often present symmetric breakthrough curves, while >8C PFAS usually exhibit asymmetric breakthrough profiles. K d values of a PFAS for different soils lie within a range of 2 to 3 orders of magnitude, while K d of different PFAS for a soil can vary to 5 orders of magnitude. Compound-specific MLR suggests that higher content of minerals in soil significantly increased K d of <6C PFAS, whereas organic matter mainly enhanced K d of >6C PFAS. The ML analyses on the integrated effect of molecule and soil properties indicate that molecular volume and dipole moment of the molecules play vital roles together with minerals and organic matter of the soils in affecting K d . ML techniques well describe the nonlinearity of PFAS transport in soils and provide powerful tools for accurate prediction.
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APPLIED SOIL ECOLOGY
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2026
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IF 5.6
Mengyao Liu,Haoyu Wang,Huiyan Yang,Wenjia Kong,Xiangfeng Yao,Xianxu Li,Benjamin L. Turner,Hongda Sun,Jun Wang
Per- and polyfluoroalkyl substances (PFAS) are a class of persistent environmental pollutants that pose significant threats to plant health and ecosystem stability. However, the molecular mechanisms underlying their toxicity, particularly how carbon chain length influences biological effects, remain poorly understood. This study employed an integrated multi-omics approach to systematically investigate the toxicity mechanisms of PFAS in the soil-plant system. We find that PFAS exposure inhibits tomato seedling growth, inducing reactive oxygen species accumulation and membrane lipid peroxidation damage. Molecular docking revealed that perfluorooctanoic acid (PFOA) exhibited stronger binding affinity to superoxide dismutase (SOD, −7.6 kcal/mol) and glutathione (GSH, −7.8 kcal/mol) compared to perfluorobutanoic acid (PFBA, −5.2 and −6.0 kcal/mol). Rhizosphere microbial analysis demonstrated PFAS-driven community restructuring, with PFOA treatments increasing Pseudomonadota abundance by 157% and Bacillota by 185%. Metabolomics identified 704 differentially expressed metabolites, showing PFAS suppressed fatty acid metabolism while activating ABC transporters and antioxidant biosynthesis. Random forest identified 15 key biomarkers for oxidative damage, including microbial genera ( Methylibium , Thauera ) and plant metabolites (Tomatine). This research elucidates the chain length-dependent toxicity mechanisms of PFAS across molecular, microbial, and metabolic dimensions, providing critical biomarkers for ecological risk assessment and remediation strategies.
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MOLECULES
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2025
·Vol. 30
·期 15
·3166
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IF 4.6
Ling Chen,Changying Hu,Zhiwei Wang
The rapid growth of plant-based biodegradable tableware, driven by plastic restrictions, necessitates rigorous safety assessments of potential chemical contaminants like per- and polyfluoroalkyl substances (PFASs). This study comprehensively evaluated PFAS contamination risks in commercial sugarcane pulp tableware, focusing on the residues of five target PFASs (PFOA, PFOS, PFNA, PFHxA, PFPeA) and their migration behavior under simulated use and takeout conditions. An analysis of 22 samples revealed elevated levels of total fluorine (TF: 33.7–163.6 mg/kg) exceeding the EU limit (50 mg/kg) in 31% of products. While sporadic PFOA residues surpassed the EU single compound limit (0.025 mg/kg) in 9% of samples (16.1–25.5 μg/kg), the levels of extractable organic fluorine (EOF: 4.9–17.4 mg/kg) and the low EOF/TF ratio (3.19–10.4%) indicated inorganic fluorides as the primary TF source. Critically, the migration of all target PFASs into food simulants (water, 4% acetic acid, 50% ethanol, 95% ethanol) under standardized use conditions was minimal (PFOA: 0.52–0.70 μg/kg; PFPeA: 0.54–0.63 μg/kg; others < LOQ). Even under aggressive simulated takeout scenarios (50 °C oscillation for 12 h + 12 h storage at 25 °C), PFOA migration reached only 0.99 ± 0.01 μg/kg in 95% ethanol. All migrated levels were substantially (>15-fold) below typical safety thresholds (e.g., 0.01 mg/kg). These findings demonstrate that, despite concerning residue levels in some products pointing to manufacturing contamination sources, migration during typical and even extended use scenarios poses negligible immediate consumer risk. This study underscores the need for stricter quality control targeting PFOA and inorganic fluoride inputs in sugarcane pulp tableware production.
研究领域:
环境化学
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食品安全
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材料科学
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分析化学
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高分子科学
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JOURNAL OF HAZARDOUS MATERIALS
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2026
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IF 10.6
Weiru Wang,Shizhen Zhao,Lele Tian,Shaojun Lv,Jun Li,Zhen Zhao,Duohong Chen,Ping’an Peng,Gan Zhang
Per- and polyfluoroalkyl substances (PFAS) are global pollutants of concern, yet their atmospheric sources and secondary formation mechanisms remain poorly understood. Here, we collected PM 2.5 samples during winter and summer across nine cities in the Pearl River Delta (southern China). Among 44 targeted PFAS in PM 2.5 , 15 were detected with a median concentration of 222 pg/m 3 , with ultra-short-chain PFAS accounting for 42% of the total concentration. Higher Σ 15 PFAS concentrations occurred in winter (261 pg/m³) than in summer (141 pg/m³), with distinct seasonal compositional patterns. Source apportionment analysis indicated that potential secondary formation contributed an average of 16% to Σ 15 PFAS. Significant correlations between selected perfluoroalkyl acids (PFAAs) and atmospheric oxidants, aerosol liquid water content, and succinic acid point to aqueous-phase precursor degradation as a potential pathway for PFAS formation. These results suggest that PM 2.5 may act as a sink for PFAS, especially for ultrashort-chain species during winter. Overall, our study provides field-based evidence for potential secondary PFAS formation in ambient aerosols and underscores the importance of controlling precursor emissions to mitigate atmospheric PFAS pollution.
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CHEMICAL ENGINEERING JOURNAL
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2026
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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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WATER RESEARCH
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2026
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IF 12.4
Yihua Luo,Xiangzhe Jiang,Jiaxin Zhu,Shubo Deng
Anion exchange resin (AER) adsorption is an effective technology for removing per- and polyfluoroalkyl substances (PFAS) from drinking water. However, conventional AERs exhibit poor adsorption selectivity, and the adsorption differences among different amine functional groups for low-concentration PFAS in drinking water remain unclear. In this study, multiple AERs with different amine groups were synthesized, and the structure-selectivity relationship of AERs for PFAS adsorption was revealed through competitive adsorption experiments. It was found that AERs with hydrophobic long alkyl chains, strong-base quaternary amine groups, and gel-type pore structures demonstrated higher adsorption selectivity for PFAS. Furthermore, the removal efficiency of low-concentration PFAS in drinking water by AERs was highly correlated with adsorption selectivity. Based on these findings, a synthesized gel-type strong-base AER with long alkyl chains (Gel(12-1-1)) was selected as the optimal AER, and its adsorption performance for PFAS in drinking water was evaluated through rapid small-scale column tests (RSSCTs). During the treatment of 180,000 bed volumes (BV), the effluent concentrations of PFBS, PFHxS, PFOS, PFOA, PFNA and GenX consistently remained below 10 ng/L. If targeting the U.S. drinking water regulatory limit of 4 ng/L for PFOS and PFOA, the commercial resin PFA694E could only treat 42,000 BV of water, whereas Gel(12-1-1) could treat 97,000 BV, demonstrating a significant advantage. This study not only provides an efficient and practical material for PFAS adsorption from drinking water, but also establishes a theoretical basis for the selective and ultimate removal of low-concentration PFAS.
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MICROCHIMICA ACTA
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2025
·Vol. 192
·期 11
·1-12
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IF 5.3
Liu Yansheng,Sun Yukun,Wang Guofu,Jia Xiaobo,Zhou Jin,Li Hongqi,Li Hongli,Chan Haixin,Li Kang,Jin Zhicheng,Li Zhaoxu
A novel surface-enhanced Raman spectroscopy (SERS)-based approach is introduced for the highly sensitive detection of perfluoroalkyl and polyfluoroalkyl substances (PFAS), polytetrafluoroethylene (PTFE), and polystyrene (PS) nanoplastics in serum samples using silver nanowire mesh (AgNWM) as SERS substrates. The surface-enhanced Raman scattering performance of AgNWM substrates was optimized using rhodamine 6G as a probe molecule, achieving a limit of detection (LOD) of 10 −9 M. Serum samples were subjected to pre-treatment steps, including protein removal, sample enrichment, and concentration, enabling quantitative detection of multiple PFAS species at as low as 10 −8 M. PTFE and PS nanoplastics were also successfully identified at a concentration of 100 ng·mL −1 . Furthermore, the AgNWM substrates exhibited significant stability and could be reused up to 10 times for plastic detection without substantial loss of sensitivity. This highly sensitive SERS platform provides an innovative and effective methodology for the detection of PFAS, PTFE, and PS nanoplastics in complex biological matrices, with considerable potential for clinical and environmental analyses. Graphical
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CHEMICAL ENGINEERING JOURNAL
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2026
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IF 12.5
Ming-Gao Xu,Hao Ma,Xiang Deng,Huiting Bian,Long Zhao,Alexander K. Lemmens,Nureshan Dias,Musahid Ahmed,Anthony K. Rappé,Eric M. Kennedy,Michael Stockenhuber,John A. Lucas,Jens Blotevogel,Wenchao Lu
TFA and DFA decompose via HF loss starting from 200 °C. • Alumina surfaces enhance the thermal mineralization of TFA. • Alumina surfaces promote CF 2 recombination to C 2 F 4 and perfluorocyclopropane as PIDs. • Hydrogenation of TFA reduces persistent intermediates formation. • Perfluorocyclopropane may serve as an indicator of surface-mediated PIDs. While thermal destruction remains one of the most effective treatments for ultrashort-chain per- and polyfluoroalkyl substances (PFAS) such as trifluoroacetic acid (TFA) at full scale, their evolution during incineration processes remains poorly understood, particularly those promoted by material surfaces in contact with the PFAS stream. Here we resolve the intrinsic and surface-mediated mechanisms of the pyrolysis of TFA and its non-PFAS analogue difluoroacetic acid (DFA) using synchrotron vacuum-ultraviolet photoionization mass spectrometry. Both compounds decompose primarily via HF elimination followed by decarboxylation or decarbonylation. Surprisingly, alumina surfaces facilitate the elimination of HF from TFA, but promote the formation of tetrafluoroethylene and perfluorocyclopropane as products of incomplete destruction (PIDs) from a bottom-up growth of CF 2 . These findings suggest that perfluorocyclopropane may serve as a promising indicator of surface-catalyzed recombination reactions during full-scale incineration. In contrast, DFA generates hydrogen-containing intermediates that undergo rapid secondary reactions, suppressing the formation of PIDs and enhancing overall incinerability. Our findings provide benchmark mechanistic insight into ultrashort-chain PFAS decomposition and call for systematic evaluation of surface effects that promote PID formation. Download: Download high-res image (116KB) Download: Download full-size image
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Journal of Water Process Engineering
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2026
·
IF 6.6
Zhitao Xu,Zhiping Cao,Li Li,Zhiwei Zhao,Zhijie Liang,Kexiang Qu,Mengnan Li,Yexuan He
Per - and polyfluoroalkyl substances (PFAS) are environmentally persistent, and conventional treatment methods often suffer from low degradation efficiency and high energy consumption. This study developed a vacuum ultraviolet/sulfite (VUV/SO 3 2− ) advanced reduction process to degrade perfluorooctanoic acid (PFOA), a representative PFAS. Under optimized conditions, the system achieved a defluorination efficiency of 75.68% and a degradation rate exceeding 95% within 2 h. The degradation mechanism is driven by the synergistic action of hydrated electrons (e aq − ) from VUV photolysis and hydroxyl radicals ( • OH) from sulfite activation, which promote stepwise cleavage of terminal C F bonds. Computational results further support that electron attachment at the terminal C F sites initiates defluorination. The system exhibits strong resistance to Cl − and PO 4 3− , while CO 3 2− , NO 3 − , and humic acid inhibit degradation by scavenging active species. The electrical energy per order (EE/O) was measured at 8.89 kWh/ m 3 , significantly lower than traditional UV-based systems. Additionally, the proposed “Energy Consumption per unit Defluorination” metric highlights the energy efficiency of fluoride removal, demonstrating the potential of the VUV/SO 3 2− process for practical PFAS remediation.
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ENVIRONMENTAL SCIENCE & TECHNOLOGY
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2026
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IF 12.2
Fang Jiang,Xinrong Liao,Haonan Dong,Ziyao Zhu,Li Guo,Huaxin Li,Li Rao,Zhihui Ai,Jingming Gong
Abstract The growing use of biochar is increasing the release of biochar-derived dissolved organic matter (BDOM) in surface waters. Concurrently, remediation of persistent per- and polyfluoroalkyl substances (PFAS) remains challenging. Although natural DOM can both photosensitize and scavenge reactive species, how BDOM modulates PFAS transformation in waters is unclear. Here, we show that low-level BDOM (1 mgC L–1) unexpectedly promotes PFAS defluorination in the UV/sulfite (UV/S) system by simultaneously boosting hydrated electron (eaq–) production and generating oxidizing radicals via triplet states (3BDOM*). The hydrophilic, moderately condensed aromatic, fulvic/humic-like fraction of BDOM is most effective across all tested feedstocks and pyrolysis temperatures. BDOM derived at 500 °C raises eaq– yield 2.6-fold over UV/S alone while co-producing •OH. Crucially, BDOM appears to reroute the eaq–-mediated decarboxylation–hydroxylation–elimination–hydrolysis pathway: instead of water addition, •OH may directly attack perfluorinated radical, making key steps more thermodynamically favorable and accelerating C–F cleavage. Leveraging naturally derived BDOM in waters, this eaq–/•OH-mediated reduction-oxidation coupling may reduce reliance on externally added chemicals while achieving complete degradation of perfluorocarboxylic acids and GenX within 1 h and ∼80% defluorination within 6 h. The findings establish BDOM as an intrinsic photosensitizer and electron ejector that reshapes radical chemistry and PFAS reaction pathways, supporting more efficient and sustainable UV/S-based remediation.
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