Chemosphere最新文献

{"title":"When high accuracy misleads: Stability limits of supervised feature importance in QSAR biodegradation","authors":"Yoshiyasu Takefuji","doi":"10.1016/j.chemosphere.2026.144846","DOIUrl":"10.1016/j.chemosphere.2026.144846","url":null,"abstract":"<div><div>Supervised machine learning excels at target prediction but can mischaracterize structure–biodegradability associations when feature importance is treated as ground truth. Using the QSAR Biodegradation dataset (1055 chemicals; 41 descriptors), we compare targeted supervised models (random forest, XGBoost, logistic regression), unsupervised methods (feature agglomeration, highly variable gene selection), and non-targeted supervised approaches (Spearman correlation). We evaluate cross-validated accuracy and ranking stability via a top-10 selection protocol and a leave-top-1-out perturbation. XGBoost attains the highest accuracy (0.8569) yet exhibits ranking instability; random forests are similarly unstable. In contrast, unsupervised and non-targeted supervised methods achieve strong accuracy (≈0.819–0.849) with perfect stability. Results caution against equating high predictive accuracy with reliable feature importance and support stability-aware, label-agnostic selection for interpretable materials science.</div></div>","PeriodicalId":276,"journal":{"name":"Chemosphere","volume":"396 ","pages":"Article 144846"},"PeriodicalIF":8.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146075896","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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":"Construction of immobilized direct Z-scheme ZnS QDs-Fe2O3 QDs|430-SSF photocatalyst film for methylene blue degradation with simultaneous hydrogen production","authors":"Yingying Zhang ,&nbsp;Jince Zhang ,&nbsp;Kehang Xiao ,&nbsp;Xue An ,&nbsp;Dawei Fang ,&nbsp;Jun Wang","doi":"10.1016/j.chemosphere.2026.144864","DOIUrl":"10.1016/j.chemosphere.2026.144864","url":null,"abstract":"<div><div>Traditional photocatalysts have the disadvantages of low sunlight utilization efficiency, weak interaction with contaminants and difficulty in recycling. In this study, ZnS QDs and Fe₂O₃ QDs prepared by hydrodynamic cavitation method and 430 stainless steel foil (430-SSF) are used to synthesize immobilized direct Z-scheme photocatalyst film. This photocatalytic has higher sunlight utilization rate, organic contaminants degradation and hydrogen production. Moreover, the small size and large specific surface area of quantum dots can enable photocatalysts to provide more reactive sites, increasing contact probability between contaminants and catalyst. ZnS QDs-Fe₂O₃ QDs heterojunction is constructed through hydrothermal reaction and coated on 430-SSF to prepare the photocatalyst film with 38.4 μm thickness. This design scheme completely overcomes the above defects. The experimental results show degradation efficiency of MB reaches 89.46% and hydrogen production reaches 422.5 μmol under simulated sunlight irradiation for 3.0h when mass proportion of ZnS QDs and Fe₂O₃ QDs is 1:3. The degradation efficiencies of MB using ZnS QDs-Fe₂O₃ QDs composite as photocatalyst are 2.19 times and 11.1 times higher than ones of using ZnS QDs and Fe₂O₃ QDs alone. More importantly, after multiple cycles of use, the performance and hydrogen production efficiency of photocatalyst show little decline, indicating excellent structural stability and good reusability. This research provides an innovative and practical idea for the preparation of immobilized direct Z-scheme photocatalysts for the efficient degradation of organic contaminants and simultaneous hydrogen production, which is of great significance for promoting large-scale application of photocatalytic technology in wastewater treatment and clean energy production.</div></div>","PeriodicalId":276,"journal":{"name":"Chemosphere","volume":"397 ","pages":"Article 144864"},"PeriodicalIF":8.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146260377","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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":"Green solvents for the extraction and bioutilisation of metals from coal fly ash by Magnetospirillum gryphiswaldense MSR1","authors":"Josh Bond ,&nbsp;Marta Maso-Martinez ,&nbsp;Andrew Sutherland ,&nbsp;Tim William Overton ,&nbsp;Andrew Goddard ,&nbsp;Vesna Najdanovic ,&nbsp;Daniel M. Chevrier ,&nbsp;Miguel A. Gomez Gonzalez ,&nbsp;Alfred Fernandez-Castane","doi":"10.1016/j.chemosphere.2026.144839","DOIUrl":"10.1016/j.chemosphere.2026.144839","url":null,"abstract":"<div><div>Coal fly ash (CFA), a metal-rich byproduct of coal combustion is produced in vast quantities and poses significant ecological risks. CFA also contains abundant technologically relevant metal oxides and trace metals, including rare earth elements (REE), often at higher concentrations than in primary ores. This makes sustainable recovery strategies a major industrial opportunity. Here, green solvent systems were applied to leach metals from CFA, and the resulting leachates were added to cultures of <em>Magnetospirillum gryphiswaldense</em> (MSR1), a model magnetotactic bacterium that biomineralizes iron into membrane-bound magnetic nanoparticles (magnetosomes) and is capable of interacting with non-iron metals through adsorption and biomineralization. Eleven green solvents, including deep eutectic solvents (DES), were tested for extraction efficiency, with six showing performance comparable to a mineral acid control. Copper (Cu) emerged as the primary toxicant to MSR1, prompting selective precipitation with potassium ferrocyanide trihydrate (PFCT) to reduce its concentration. Cu-depleted lactic acid-based leachates supported MSR1 growth and magnetosome formation even without supplemented iron. Nano-XRF and ICP-MS analysis revealed MSR1 interacts with CFA-derived metals, most significantly showing that produced CFA magnetosomes contained a 5.3–6.1-fold increase in Cu compared to controls. As Cu is both a growth inhibitor and a target pollutant, these findings suggest MSR1 may bioaccumulate Cu within magnetosomes as a detoxification strategy. Overall, this study demonstrates a combined chemical–biological route for CFA valorisation, enabling recovery of diverse metals from waste while producing magnetosomes with distinct compositions.</div></div>","PeriodicalId":276,"journal":{"name":"Chemosphere","volume":"396 ","pages":"Article 144839"},"PeriodicalIF":8.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146121295","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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":"Ionic liquids towards safer solvents: Toxicity and its assessment by physical and computational methods","authors":"N.O. Atamas ,&nbsp;K.S. Yablochkova ,&nbsp;I.P. Matushko ,&nbsp;M.M. Lazarenko","doi":"10.1016/j.chemosphere.2026.144874","DOIUrl":"10.1016/j.chemosphere.2026.144874","url":null,"abstract":"<div><div>This review examines various aspects of ionic liquid (IL) toxicity related to the structure of ions and cations, as well as methodologies for their study, from <em>in vitro</em> studies to computer models. All discussed approaches focus on their use in assessing the potential environmental risks associated with ILs and their toxicity to living organisms. The synthesis of various integrated approaches to IL toxicity analysis provides a comprehensive framework for understanding the implications of their use in the chemical and pharmaceutical industries. This review promotes further research into the properties of ILs, including toxicity assessment, which should lead to the development of common approaches and a regulatory framework for IL toxicity analysis.</div></div>","PeriodicalId":276,"journal":{"name":"Chemosphere","volume":"397 ","pages":"Article 144874"},"PeriodicalIF":8.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147319209","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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":"Influence of anaerobic digestate and wood ash on phenanthrene bioaccessibility and mineralisation in soil","authors":"Adesola S. Ojo,&nbsp;Chisom Ejileugha,&nbsp;Carly J. Stevens,&nbsp;Kirk T. Semple","doi":"10.1016/j.chemosphere.2026.144845","DOIUrl":"10.1016/j.chemosphere.2026.144845","url":null,"abstract":"<div><div>The environmental persistence and ecotoxicity of polycyclic aromatic hydrocarbons (PAHs) have stimulated considerable interest in understanding their bioaccessibility and biodegradation in soils. Factors such as contact time, organic amendments, and microbial inoculation can influence these processes. This study examined how contact time, bacterial inoculation, and amendments affect the chemical extractability and biodegradation of 9-¹⁴C-phenanthrene in soil. Soils were amended with anaerobic digestate (AD), wood ash (WA), or their combination (AD + WA) and monitored over 90 days. Lower recoveries of 9-¹⁴C-phenanthrene activity were observed in amended soils compared with the control, particularly in AD + WA treatments, with recoveries declining over time. Both dichloromethane (DCM) and hydroxypropyl-β-cyclodextrin (HP-β-CD) extractability decreased with increasing soil – PAH contact time, with a greater reduction in HP-β-CD extractability observed in AD + WA. Inoculated systems exhibited shorter lag phases than uninoculated systems, although bacterial numbers, mineralisation rates, and extents were similar across both inoculation conditions. Lower mineralisation extents occurred in AD + WA under both inoculation conditions. This study provides new insights into how AD, WA, and AD + WA influence PAH bioaccessibility and mineralisation kinetics in soil. The findings indicate that AD and/or WA can stimulate 9-¹⁴C-phenanthrene biodegradation under nutrient-limited conditions, primarily through biostimulation of indigenous microbial communities; however, bioaccessibility rather than nutrient availability or microbial abundance, ultimately constrained degradation endpoints. These results highlight the need for (bio)remediation strategies that enhance contaminant availability, rather than focusing solely on nutrient inputs or microbial abundance.</div></div>","PeriodicalId":276,"journal":{"name":"Chemosphere","volume":"396 ","pages":"Article 144845"},"PeriodicalIF":8.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146075898","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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":"Thermal desorption as an environmentally sound alternative for the determination of high production volume chemicals and polycyclic aromatic hydrocarbons in particulate matter","authors":"Laura Solé-Domènech ,&nbsp;Laura Vallecillos ,&nbsp;Alexandre Fabregat ,&nbsp;Francesc Borrull","doi":"10.1016/j.chemosphere.2026.144865","DOIUrl":"10.1016/j.chemosphere.2026.144865","url":null,"abstract":"<div><div>Particulate matter (PM) is a key component of air pollution, not only because of its own effects on human health but also because of certain semi-volatile organic compounds (SVOCs) which can be carried on its surface, such as benzothiazoles, phthalate esters (PAEs), ultraviolet stabilizers and polycyclic aromatic hydrocarbons (PAHs). Developing analytical methods for the determination of these compounds on PM samples is essential, especially in the light of current trends in the analytical processes such as automation and green chemistry. In this study, a method based on thermal desorption coupled to gas chromatography-mass spectrometry (TD-GC-MS) was developed and validated for the determination of 17 high production volume chemicals (HPVCs) and 13 PAHs at pg m⁻³ levels and evaluated using AGREEprep, with an overall score of 0.68.</div><div>The method was applied to PM₁₀ air samples collected from the Port of Tarragona. The most representative target compounds were PAEs, accounting for 72% of the total and with the widest concentration ranges. Out of them, diethylhexyl phthalate (DEHP) was the most prevalent compound, with concentrations between 2647 pg m⁻³ and 5298 pg m⁻³. The family of PAHs accounted for 17% of the total with a mean value of 9823 pg m⁻³. Benzo(<em>a</em>)pyrene (BaP), which is regulated to a maximum annual average concentration of 1000 pg m⁻³ in PM₁₀ by the European Directive , 2024/2881, was not detected in any of the samples analysed; hence, its concentration was below the regulatory limit.</div></div>","PeriodicalId":276,"journal":{"name":"Chemosphere","volume":"396 ","pages":"Article 144865"},"PeriodicalIF":8.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146171335","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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":"Microplastics in sediments: A systematic review structured through reproducible analytical pipelines","authors":"Madeline Jefroy ,&nbsp;Amy Lusher ,&nbsp;Bert van Bavel ,&nbsp;Peygham Ghaffari","doi":"10.1016/j.chemosphere.2026.144849","DOIUrl":"10.1016/j.chemosphere.2026.144849","url":null,"abstract":"<div><div>Microplastic research has expanded rapidly, yet substantial methodological variability continues to limit comparability across sediment studies. To characterize current practice and identify priority areas for harmonization, we conducted a systematic literature review (SLR) of 3290 records, from which 37 sediment-focused studies (18 marine, 19 freshwater) met the inclusion criteria. Methods were analyzed using a Reproducible Analytical Pipelines (RAPs) framework encompassing sampling, preparation, detection, and polymer identification. Sampling approaches varied widely: grab samplers dominated (55% of marine and 42% of freshwater studies), while corers (28% and 16%) and manual tools (5% and 16%) were less frequently used. Lower size thresholds spanned <span><math><mrow><mo>&lt;</mo><mn>0</mn><mo>.</mo><mn>1</mn><mo>−</mo><mn>1</mn><mspace></mspace><mi>mm</mi></mrow></math></span>, with <span><math><mo>&lt;</mo></math></span>0.1 mm most common in marine studies (45%) and less so in freshwater systems (30%). Density separation was nearly universal (36 of 37 studies), with sodium chloride used in over 70% of workflows despite its limited ability to recover high-density polymers; denser media were employed in fewer than 25% of studies. Oxidative digestion was the dominant method for removing organic matter (81%). Polymer confirmation relied overwhelmingly on <span><math><mi>μ</mi></math></span>FTIR (35 studies), whereas Raman spectroscopy appeared in only four studies, primarily for particles <span><math><mrow><mo>&lt;</mo><mn>0</mn><mo>.</mo><mn>1</mn><mspace></mspace><mi>mm</mi></mrow></math></span>. Overall, the SLR reveals partial methodological convergence but persistent divergence in key analytical parameters, highlighting clear priorities for future harmonization efforts.</div></div>","PeriodicalId":276,"journal":{"name":"Chemosphere","volume":"396 ","pages":"Article 144849"},"PeriodicalIF":8.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146075920","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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":"Comparison of per- and polyfluoroalkyl levels in human matrices, surface and drinking waters in Spain and other countries","authors":"M.P. Mayor ,&nbsp;N. Díaz-Alejo ,&nbsp;N. Boluda-Botella ,&nbsp;M.D. Saquete","doi":"10.1016/j.chemosphere.2026.144855","DOIUrl":"10.1016/j.chemosphere.2026.144855","url":null,"abstract":"<div><div>Per- and polyfluoroalkyl substances (PFAS) are persistent contaminants with widespread exposure. This review assesses PFAS levels in human and environmental matrices in Spain, focusing on exposure pathways, temporal trends, and treatment efficacy. Biomonitoring confirms persistent internal exposure, with median serum concentrations of PFOS (10460 ng/L) and PFOA (2720 ng/L) in specific regions, influenced by demographic factors, diet, and industrial proximity. Spatial patterns show higher concentrations in Northeast (Catalonia) and Northwest (Galicia) Spain, contrasting with the lowest levels in the Canary Islands. Environmental monitoring in the Ebro, Llobregat, and Júcar basins reveals highly variable concentrations; notably, the Llobregat exhibits elevated mean PFOS (234 ng/L) due to industrial discharges. While long-chain PFAS (PFOS, PFOA) have declined following regulations, highly mobile short-chain compounds (PFBA, PFPeA, PFBS) increasingly dominate rivers, tap water and protected areas like Albufera Natural Park. Regarding remediation, conventional treatment shows limited PFAS removal, whereas reverse osmosis and granular activated carbon yield significant reductions. Spanish PFAS levels remain comparable to those in the United States and Europe, generally falling below current health risk thresholds. However, the evolving profile and persistence of these contaminants underscore the need for harmonised monitoring, improved water treatment, and updated regulations, to safeguard long-term public health.</div></div>","PeriodicalId":276,"journal":{"name":"Chemosphere","volume":"396 ","pages":"Article 144855"},"PeriodicalIF":8.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146171332","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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":"Editorial for the Special Issue “Micro-and nanoplastics in soil: Insights and challenges”","authors":"Albert A. Koelmans ,&nbsp;Stefan Krause ,&nbsp;Petra Krystek","doi":"10.1016/j.chemosphere.2026.144871","DOIUrl":"10.1016/j.chemosphere.2026.144871","url":null,"abstract":"","PeriodicalId":276,"journal":{"name":"Chemosphere","volume":"397 ","pages":"Article 144871"},"PeriodicalIF":8.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147286656","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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":"Corrigendum to ‘Distribution of trace elements as electroactive species for environmental monitoring of estuarine waters in Pará river (AAmazonia, Brazil)’ [Chemosphere, volume 390 (2025) 144714]","authors":"Cristina Ramos Trindade ,&nbsp;Kasley Barreto ,&nbsp;Luis Felipe Formentini ,&nbsp;Johnata Azevedo Ferreira ,&nbsp;Letícia Lorena da Fonseca Santiago ,&nbsp;Ruy Rodrigues Santiago Neto ,&nbsp;Thaís Ramos Dal Molin ,&nbsp;Lílian Lund Amado ,&nbsp;Leandro Machado de Carvalho","doi":"10.1016/j.chemosphere.2026.144853","DOIUrl":"10.1016/j.chemosphere.2026.144853","url":null,"abstract":"","PeriodicalId":276,"journal":{"name":"Chemosphere","volume":"396 ","pages":"Article 144853"},"PeriodicalIF":8.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146133831","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}