Water Research最新文献

{"title":"The substrate configuration influences pollutant removal in constructed wetlands: From the aspects of submerged status of substrate and carbon-felt distribution","authors":"Xiang-Zheng Li ,&nbsp;Tong Wang ,&nbsp;Ting Yang ,&nbsp;Xue Li ,&nbsp;Lin-Wei Wu ,&nbsp;Lin-Lan Zhuang ,&nbsp;Jian Zhang","doi":"10.1016/j.watres.2025.123396","DOIUrl":"10.1016/j.watres.2025.123396","url":null,"abstract":"<div><div>Redox regulation dominates the pollutant removal in constructed wetlands (CWs). To enhance efficient and cost-effective nitrogen removal, this study intended to build an unsaturated zone and add carbon-felt material for electron donor/acceptor adjustment. The unsaturated zone heights (0, 10, 20 cm) and carbon-felt distribution patterns (evenly scattered (CW_SE), continuously linked (CW_L), and head-tail linked like microbial fuel cells (CW_MFC)) were simultaneously adjusted. Moreover, their effects and underlying microbial mechanisms on water purification were investigated. Results indicated that CWs with a 20 cm unsaturated zone achieved over 99 % ammonia nitrogen removal. CW_SE facilitated optimal pollutant-microbe contact, enabling efficient in-situ electron utilization for 64.27 % total nitrogen removal through simultaneous nitrification-denitrification and anammox. In CW_L, continuous carbon-felt distribution allowed efficient electron transport at a relatively macro-area and enhanced electron consumption by oxygen at the surface, leading to superior ammonia oxidation (82.97 %) in the middle area of CW_L. Conversely, CW_MFC facilitated direct electron transfer through the whole CW, enriched <em>Geobacter</em> at the top and <em>Vibrio</em> at the bottom, achieving 84.23 % total nitrogen removal through nitrification-denitrification under high oxygenation. This study elucidated microbial community niche differentiation in CWs mediated by carbon-felt electron transport and proposed optimal application scenarios for different carbon-felt configurations.</div></div>","PeriodicalId":443,"journal":{"name":"Water Research","volume":"278 ","pages":"Article 123396"},"PeriodicalIF":11.4,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143495954","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Vigilance against climate change-induced regime shifts for phosphorus restoration in shallow lake ecosystems","authors":"Yang Li ,&nbsp;Yuan Liu ,&nbsp;Siqi Yu ,&nbsp;Bin Xing ,&nbsp;Xinwei Xu ,&nbsp;Haihao Yu ,&nbsp;Ligong Wang ,&nbsp;Dihua Wang ,&nbsp;Chunhua Liu ,&nbsp;Dan Yu","doi":"10.1016/j.watres.2025.123397","DOIUrl":"10.1016/j.watres.2025.123397","url":null,"abstract":"<div><div>The dual pressure of anthropogenic activities and frequent extreme weather events has triggered a transition from macrophyte to algal dominance in shallow lakes. Phosphorus (P) is the key driver of regime shifts that can lead to a decline in the stability and resilience of lake ecosystems. However, the mechanisms underlying such regime shifts, and the effects of state transitions on internal P loading during macrophyte restoration in large shallow eutrophic lakes, remain to be fully elucidated. This study utilised long-term in situ monitoring data, across three distinct lake states (bare ground, macrophyte-dominated stage, and algae-dominated stage) to elucidate the accumulation and release mechanisms of sedimentary P during regime shifts. The findings demonstrated that the rehabilitation of submerged plants efficiently reduced internal P loading (water column P, sediment P fractions, and P flux), while the persistence of algal blooms was driven by the reductive release of Fe-P from sediments and the dissolution of Al-P from suspended particulate matter. High temperature, low dissolved oxygen, and high pH largely modulate the pathways and mechanisms of P supply during regime shifts. The combined pressures of extreme weather (heavy rainfall, strong winds, and extreme heat) and trophic cascades from fish stocking can trigger a shift from macrophytes to algae in shallow lakes. Appropriate management of the structure and biomass of aquatic animal communities (e.g., small-bodied or omnibenthivorous fish) and optimization of the food web structure can effectively improve water quality and maintain ecosystem stability. These findings enrich the theoretical understanding of regime-shift mechanisms from an ecosystem perspective and offer novel insights into P remediation in large shallow eutrophic lakes.</div></div>","PeriodicalId":443,"journal":{"name":"Water Research","volume":"278 ","pages":"Article 123397"},"PeriodicalIF":11.4,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143495951","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Quantifying the fate of biogenic elements in mangrove aquifers: Insights from reactive transport modeling under saltwater-freshwater mixing","authors":"Kang Peng ,&nbsp;Lu Yan ,&nbsp;Xianjun Xie ,&nbsp;Yamin Deng ,&nbsp;Yiqun Gan ,&nbsp;Qinghua Li ,&nbsp;Yanpeng Zhang ,&nbsp;Xianqiang Tang","doi":"10.1016/j.watres.2025.123381","DOIUrl":"10.1016/j.watres.2025.123381","url":null,"abstract":"<div><div>Saltwater-freshwater mixing in mangrove wetlands drives complex biogeochemical processes that regulate the cycling and transformation of key elements. Yet, the detailed quantification of biogenic element cycling and transformations under saltwater-freshwater interactions remains insufficiently explored. This study developed a field-scale reactive transport model, constrained by multi-level monitoring and hydrochemical data, to investigate the migration, transformation, and fluxes of biogenic elements (C, N, S, Fe) in the Dongzhai Harbor mangrove wetland aquifer. The results reveal that freshwater-saltwater mixing and groundwater discharge enrich NH₄⁺ and HCO₃⁻, while elevated sedimentary iron content primarily reflects Fe²⁺ accumulation in groundwater. Heterotrophic reactions, including aerobic respiration, denitrification, and nitrification, dominate in high-flow regions, while iron and sulfate reduction occur across aquifer layers, influenced by DOC availability and transport dynamics. Low molecular weight DOC entering the aquifer originates primarily from oceanic inputs and sedimentary organic matter degradation (44.8 %), with a minor contribution from terrestrial groundwater. Of this, 71.2 % undergoes microbial reactions, significantly supporting nitrate removal (1.24 × 10⁶ mol/year) while producing HCO₃⁻ and NH₄⁺. The aquifer is estimated to produce 2.37 × 10⁶ mol of DOC annually. Simulations demonstrate that aquaculture wastewater, enriched in DOC, ammonium, and nitrate, enhances solute inflow and reaction activity, increasing DOC and ammonium discharge to surface waters, despite nitrate removal rates remaining high (up to 83 %). Changes in vertical permeability, related to mangrove root systems and benthic organisms, further influence nutrient cycling. Increased permeability promotes solute exchange and nitrate removal but reduces efficiency, whereas decreased permeability reduces nitrate removal but enhances its efficiency. These findings underscore the critical role of mangrove wetlands in regulating nutrient cycles and maintaining ecological stability, offering insights to support their sustainable management.</div></div>","PeriodicalId":443,"journal":{"name":"Water Research","volume":"278 ","pages":"Article 123381"},"PeriodicalIF":11.4,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143495953","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effectively mitigated eutrophication risk by strong biological carbon pump (BCP) effect in karst reservoirs","authors":"Wenke Zhang ,&nbsp;Wanfa Wang ,&nbsp;Sen Xu ,&nbsp;Qingqing Sun ,&nbsp;Wenhong Shi ,&nbsp;Jiayi Man ,&nbsp;Shengde Yu ,&nbsp;Yujing Yang ,&nbsp;Wenxin Wu ,&nbsp;Xia Hu ,&nbsp;Qixin Wu ,&nbsp;Pan Wu ,&nbsp;Si-Liang Li","doi":"10.1016/j.watres.2025.123395","DOIUrl":"10.1016/j.watres.2025.123395","url":null,"abstract":"<div><div>Karst reservoirs can significantly enhance the effect of biological carbon pump (BCP), a crucial process for carbon sequestration, water purification, and eutrophication mitigation. However, the effects of BCP on the fate of carbon (C), nitrogen (N), and phosphorus (P) and its role in regulating eutrophication within river-reservoir systems, remains insufficiently understood, particularly across different geological settings. We investigated the Hongfeng Reservoir (HFR), a typical karst reservoir, analyzing water chemistry, nutrient concentrations, and stable isotopes of dissolved inorganic carbon (δ¹³C_DIC) and nitrate (δ¹⁵N-NO₃^-) to uncover the underlying mechanisms governing the migration of biogenic elements and the process of eutrophication. Our findings reveal a strong BCP effect in the reservoirs that leads to substantial CO₂ and HCO₃^- uptake via phytoplankton photosynthesis during the warm-wet season, resulting in decreased dissolved inorganic carbon (DIC) concentrations and increased pH in the epilimnion. The δ¹³C_DIC (−4.0 ± 0.5 ‰) values in the epilimnion relatively increased in response to phytoplankton photosynthesis that preferentially absorbs the lighter isotope of ¹²C. Compared with the inflow, the δ¹⁵N-NO₃^- (7.4 ± 0.2 ‰) in the epilimnion of the reservoir is significantly depleted, with the water predominantly aerobic or oxygen-supersaturated. This suggests that nitrification is the dominant process during the warm-wet season. The high NO₃^- concentrations (44.3 ± 10.1 μmol/L) indicate a sufficient N supply for biological uptake. The strong BCP effects in the epilimnion convert substantial amounts of DCO₂ and nutrients into autochthonous organic matter. The resulting increase in pH further reduces the availability of DCO₂. Furthermore, BCP-induced calcium carbonate precipitation enhances P removal through co-precipitation, thereby accelerating nutrient depletion and carbon sequestration, which collectively contribute to the mitigation of eutrophication risks. To assess the broader applicability of these findings, we analyzed data from 129 lakes and reservoirs globally. Our results show that karst reservoirs, with their strong BCP effect, exhibit an average Carlson trophic status index (CTSI) 9.8 % lower than non-karst reservoirs, indicating a reduced risk of eutrophication. These insights offer valuable implications for the management of water resources in karstic reservoirs globally.</div></div>","PeriodicalId":443,"journal":{"name":"Water Research","volume":"278 ","pages":"Article 123395"},"PeriodicalIF":11.4,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143495991","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced phosphate recovery in R-MCDI systems: Synergistic effects of modified electrodes and membrane-electrode-current collector assembly","authors":"Yunfei He ,&nbsp;Tie Gao ,&nbsp;Ao Gong ,&nbsp;Guangteng Wang ,&nbsp;Wanpeng Si ,&nbsp;Peng Liang","doi":"10.1016/j.watres.2025.123392","DOIUrl":"10.1016/j.watres.2025.123392","url":null,"abstract":"<div><div>Efficient phosphorus (P) recovery is critical for sustainable wastewater management and resource reuse. This study optimized a reservoir of membrane capacitive deionization (R-MCDI) system by integrating acid-modified activated carbon cloth (ACC) electrodes and a membrane-electrode-current collector assembly (MECA) configuration. Acid modification enhanced the electrode's specific surface area, microporosity, and carboxyl group content, while reducing charge transfer resistance, significantly improving P recovery and selectivity. The ACC-42 electrode achieved optimal performance, achieving a 52% P recovery efficiency and low energy consumption of 8.8 kWh/kg P. The MECA configuration further amplified P recovery by optimizing electric field distribution and maximizing electrode utilization, achieving a fourfold higher recovery rate (0.081 μmol·cm^-2·min^-1) while reducing energy consumption by 59% compared to alternative setups. Multi-cycle operations validated the system's robustness, with P concentrations reaching 397 mg/L in the electrode chamber and a nearly 15-fold increase in selectivity for P over sulfate. This study highlights the synergistic effects of electrode modification and assembly configuration in enhancing R-MCDI performance, providing a scalable and energy-efficient solution for nutrient recovery in wastewater treatment.</div></div>","PeriodicalId":443,"journal":{"name":"Water Research","volume":"278 ","pages":"Article 123392"},"PeriodicalIF":11.4,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143495956","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Eco-corona formation on aminated nanoplastics interacted with extracellular polymeric substances from bloom-forming cyanobacteria: Insightful mechanisms with DFT study","authors":"Rui Zhu ,&nbsp;Xiao Tan ,&nbsp;Imran Ali ,&nbsp;Zhipeng Duan ,&nbsp;Yijia Wei ,&nbsp;Jiang Huang ,&nbsp;Jia Liang ,&nbsp;Kai Sun","doi":"10.1016/j.watres.2025.123394","DOIUrl":"10.1016/j.watres.2025.123394","url":null,"abstract":"<div><div>Nanoplastics (NPs) with amino functional groups have wide distribution and high toxicity; however, their environmental behaviors remain inadequately understood. This study investigated the mechanisms of eco-corona formation on pristine polystyrene NPs (PSNPs) and aminated PSNPs (PSNPs-NH₂) by extracellular polymeric substances (EPS) from a bloom-forming cyanobacterium, <em>Microcystis aeruginosa</em>. Our results revealed that at the two tested concentrations of EPS (5.0 and 30.0 mg/L), the pristine PSNPs initially aggregated and subsequently repelled. In contrast, PSNPs-NH₂ showed a more pronounced aggregation at the elevated EPS concentration of 30 mg/L. In addition, the elemental compositions and functional groups on both types of PSNPs were markedly altered after eco-corona formation. Combining with density functional theory, our findings indicated that electrostatic interaction, hydrogen bonding, and Van der Waals force served as the main binding forces between model EPS (polysaccharide) and PSNPs units. Furthermore, the binding energies of pristine PSNPs-, and PSNPs-NH₂-polysaccharide were calculated to be -63.25 and -179.43 kJ/mol, respectively, suggesting a greater affinity of PSNPs-NH₂ for polysaccharide. This outcome aligned with our experimental observation. Specifically, the xylose branch within polysaccharide was identified as an optimized binding site for interaction with PSNPs. Our research contributes to a deeper understanding of the environmental behaviors of aminated NPs in freshwater systems, particularly during periods of cyanobacterial blooms.</div></div>","PeriodicalId":443,"journal":{"name":"Water Research","volume":"278 ","pages":"Article 123394"},"PeriodicalIF":11.4,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143495955","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Associations of anthropogenic activity and tributaries with the physicochemical, nutrient and microbial composition of the Ganga (Ganges) River, India","authors":"Gillian E. Clayton ,&nbsp;Laura A. Richards ,&nbsp;Bethany G. Fox ,&nbsp;Robin M.S. Thorn ,&nbsp;Michael J. Bowes ,&nbsp;Daniel S. Read ,&nbsp;Holly J. Tipper ,&nbsp;Kieran Khamis ,&nbsp;Tapan K. Dutta ,&nbsp;Arun Kumar ,&nbsp;Moushumi Hazra ,&nbsp;Ben Howard ,&nbsp;Uwe Schneidewind ,&nbsp;Linda K. Armstrong ,&nbsp;David J.E. Nicholls ,&nbsp;Helen Davies ,&nbsp;David Hannah ,&nbsp;Holly A. Nel ,&nbsp;Ashok Ghosh ,&nbsp;Himanshu Joshi ,&nbsp;Darren M. Reynolds","doi":"10.1016/j.watres.2025.123374","DOIUrl":"10.1016/j.watres.2025.123374","url":null,"abstract":"<div><div>The Ganga River (known internationally as the Ganges) is one of the world's most prominent rivers, running from the Himalayas to the Bay of Bengal and supporting the livelihoods of &gt; 40 % of India's 1.4 billion population. The Ganga River is regionally and globally important, supporting agriculture and industry, yet faces potentially detrimental water quality challenges arising from runoff and discharge from increasing urbanization, industry and agriculture. A ∼ 2700 km longitudinal survey of the nutrient and microbial water quality, including phytoplankton composition, of the Ganga River was undertaken in November 2019. The aim was to investigate if and how anthropogenic activities (e.g. urbanisation, industry, and agriculture) and tributary convergence (potentially reflecting both human activity and flow influences) affect and shift physicochemical, nutrient, and microbial water quality parameters along the river continuum. Segmented regression identified four zones of distinct nutrient/microbial characteristics along the Ganga River, with breakpoints located near Kanpur, Varanasi and downstream of the Farakka Barage, at distances of ∼ 1020, ∼ 1500 and ∼ 2350 km downstream from the Himalayan Ganga source. Population density, land use and urban cover were associated with selected water quality parameters in parts of the catchment, with elevated nutrient, microbial and chemical concentrations likely associated with agriculture, industry, and sewage inputs. Some urban areas (e.g. Kanpur and Varanasi), converging tributaries (e.g. Yamuna and Varuna) and barrages (e.g. Farakka) were associated with changes in nutrient availability, microbial activity/abundance and modelled discharge, likely driving apparent water quality changes in the relevant locations. Downstream shifts in nutrient and microbial water quality parameters were observed throughout the ∼ 2700 km Ganga River continuum. This information can help prioritize locations for targeted monitoring and/or remediation interventions and has illustrated an approach to quantify impacts of anthropogenic inputs on major river systems, such as the Ganga River.</div></div>","PeriodicalId":443,"journal":{"name":"Water Research","volume":"278 ","pages":"Article 123374"},"PeriodicalIF":11.4,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143495952","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Could chloroxylenol be used as WBE biomarker in gravity sewers? Fates, behaviors and feasible conditions","authors":"Xinhui Xia,&nbsp;Huizhi Mu,&nbsp;Yujia Du,&nbsp;Shuocheng Shao,&nbsp;Yaqun Li,&nbsp;Dan Li,&nbsp;Qingliang Zhao,&nbsp;Liangliang Wei","doi":"10.1016/j.watres.2025.123376","DOIUrl":"10.1016/j.watres.2025.123376","url":null,"abstract":"<div><div>Understanding the in-sewer stability of chemical biomarkers is crucial for effective wastewater-based epidemiology (WBE) studying. Sewer conditions, including environmental and biological factors, significantly influence biomarker transformations. This study investigated the stability of chloroxylenol (PCMX) under different levels of pH, temperature, shear force, and ventilation status, and then clarified the fate and behavior of PCMX in gravity sewers (GS). Results indicated the stability of PCMX obviously increased with higher pH and shear force, and lower temperature in both well- and partially-ventilated GS reactors. In poorly-ventilated GS reactors, the highest degradation rates occurred under normal conditions (pH = 7.0, T = 20 °C, shear = 1.15 N/m²). Biological activity (MPR&gt;SPR) and dissolved oxygen (DO) primarily drove PCMX transformation, with minimal effects from pH, temperature, and shear force. A positive correlation existed between PCMX transformation and DO, and a negative correlation existed between PCMX transformation and biological activity. Mass balance analysis indicated that adsorption and bioaccumulation dominated PCMX transformation in GS, while biotransformation occurred with the increasing of DO and prolongation of HRT. Additionally, the suitability of PCMX as a WBE biomarker under different GS conditions was assessed. PCMX was viable as a biomarker in partially-ventilated GS under pH 8 or shears force of 0.48 N/m² conditions, and in poorly-ventilated GS under pH 6 or shears force of 0.48 N/m² conditions. This study enhances understanding of factors affecting PCMX stability and supports its application as a WBE biomarker in community health assessments.</div></div>","PeriodicalId":443,"journal":{"name":"Water Research","volume":"278 ","pages":"Article 123376"},"PeriodicalIF":11.4,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143485538","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unveiling the adsorption mechanism of perfluorooctane sulfonate onto polypropylene nanoplastics: A combined theoretical and experimental investigation","authors":"Federica Simonetti ,&nbsp;Marco Mancini ,&nbsp;Valentina Gioia ,&nbsp;Rosaceleste Zumpano ,&nbsp;Franco Mazzei ,&nbsp;Alessandro Frugis ,&nbsp;Valentina Migliorati","doi":"10.1016/j.watres.2025.123324","DOIUrl":"10.1016/j.watres.2025.123324","url":null,"abstract":"<div><div>Polypropylene (PP) is a key component of nanoplastics detected globally in water, which can carry pollutants through co-transport. In this regard, the co-transport of perfluoroalkyl substances (PFAS) by nanoplastics (NPs) raises significant concern, as NPs can act as vectors that enhance PFAS uptake and bioaccumulation in organisms during co-exposure. In this context, research has shown interactions between NPs and PFAS, but the adsorption mechanism remains still unclear. In this work, a powerful synergic approach combining several computational and experimental techniques has been used to unveil the adsorption mechanism of perfluorooctanesulfonate (PFOS), which is one of the most widespread contaminants of emerging concerns (CECs) on PP nanoparticles. According to our DFT results, PFOS adsorbs onto the outer and inner surface of the nanoparticle, with a maximum adsorption energy of <span><math><mo>≈</mo></math></span> 18 kcal/mol and an adsorption mechanism mainly governed by dispersion forces between the two fragments. Batch experiments have confirmed that PFOS rapidly adsorbs on PP nanoparticle, showing that pH can reduce the adsorption capacity thus affecting the co-transport. Moreover, the dipole moment of the PFOS-nanoparticle complex has been found to be significantly larger as compared to the bare nanoparticle, resulting in a more pronounced transport in aqueous environment and making the PFOS-PP nanoparticle complex much more dangerous than the bare PP nanoparticle. Altogether, our results allowed us to disentangle the adsorption mechanism of PFAS on PP nanoparticles, which is a fundamental step to understand the co-occurrence of such dangerous pollutants in environmental matrices, as well as to obtain new information for toxicity and risk-models development.</div></div>","PeriodicalId":443,"journal":{"name":"Water Research","volume":"278 ","pages":"Article 123324"},"PeriodicalIF":11.4,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143495957","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Rapid charge transfer and O3 selective catalysis induced by B-doped nanoconfined reactor realized complete Cu-EDTA decomplexation: Significant role of BC3 conformation","authors":"Yue Liu ,&nbsp;Zhiyuan Ning ,&nbsp;Miao Fang ,&nbsp;Xiaofang Zhang ,&nbsp;He Guo ,&nbsp;Mei An ,&nbsp;Qiuling Ma ,&nbsp;Jian Zhou ,&nbsp;Tiecheng Wang","doi":"10.1016/j.watres.2025.123393","DOIUrl":"10.1016/j.watres.2025.123393","url":null,"abstract":"<div><div>Nanoconfinement strategy that overcomes the defects of conventional heterogeneous catalysts in electron and mass transport provides a new outlet to enhance REDOX processes. Nonetheless, limitations in the activity and selectivity of effective catalytic sites are still the drawbacks of nanoconfined catalysts. In this study, a B-doped carbon nanotubes-confined-Fe_xO_y catalyst (B₅₀₀Fe₂₀₀@CNTs-L) coupled with a dielectric barrier discharge (DBD) plasma system (DBD/B₅₀₀Fe₂₀₀@CNTs-L) was developed for Cu-EDTA removal. The DBD/B₅₀₀Fe₂₀₀@CNTs-L system realized 100% Cu-EDTA decomplexation within 3 min, which was 3.6 times kinetically faster than without B doping. The system emphasized extensive pH adaptability, maintaining 100% Cu-EDTA removal at a pH of 3–9. B doping increased the selectivity to O₃ and promoted active species generation, in which •OH and O₂•^- prominently contributed to Cu-EDTA decomplexation, as well as Fe^IV=O. The strong electronic activity induced by BC₃ conformation enhanced charge transfer, regulating the positive charge and <em>d-</em>band center of central Fe atoms to decline the energy barriers of H₂O₂ and O₃ adsorption and active species formation. Moreover, this system emphasized the superior catalytic stability under different matrix water (Cl⁻, CO₃²⁻, NO₃⁻, SO₄²⁻, and PO₄³⁻).</div></div>","PeriodicalId":443,"journal":{"name":"Water Research","volume":"278 ","pages":"Article 123393"},"PeriodicalIF":11.4,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143495995","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}