化学•材料最新文献

{"title":"Apolitical Science","authors":"Julie Beth Zimmerman, Gregory Lowry, Fernando Rosario-Ortiz, Paul Westerhoff, Daniel Alessi, Pedro Alvarez, Alexandra Boehm, Ian Cousins, Jordi Dachs, Matthew Eckelman, Imad El Haddad, Pablo Gago-Ferrero, Jorge Gardea-Torresdey, Jacqueline MacDonald Gibson, Keri Hornbuckle, Heileen Hsu-Kim, Juliane Hollender, Atsuko Ikeda, Frederic Leusch, Melissa Maurer-Jones, James Mihelcic, Shelly Miller, Lutgarde Raskin, Z. Jason Ren, Susan Richardson, Daniel Schlenk, Huahong Shi, Paul Tratnyek, David Waite, Shuxiao Wang, Zhanyun Wang, Michael Wong, Sukhwan Yoon","doi":"10.1021/acs.est.5c03696","DOIUrl":"https://doi.org/10.1021/acs.est.5c03696","url":null,"abstract":"There is an old saying that “facts do not need you to believe them to be true”. This has never been more relevant. In an era where scientific research, particularly in environmental, health, and climate science, faces mounting political challenges, we must reaffirm that our work is not contingent on ideology but on the immutable laws of nature. A molecule of carbon dioxide does not recognize political debates over international climate agreements. It will, however, contribute to climate change because of the fundamental physics governing the carbon–oxygen double bond. A molecule of methylene chloride does not consider economic arguments about regulatory limits, yet it will still be capable of causing cancer when it enters the human body. Per- and polyfluoroalkyl substances, PCBs, pesticides, and heavy metals do not change their toxicity based on geopolitical preferences. The virulence of a pathogen is not determined by socially acceptable risk standards. The dangers these and other substances and organisms pose are dictated by their physical and chemical properties, indifferent to political rhetoric, economic debates, or national borders. Science-based environmental policies have delivered tangible benefits. The United States’ Clean Water and Air Acts dramatically improved water and air quality, preventing disease and mortality while saving billions in healthcare costs. Many countries use the World Health Organization’s health-based drinking water quality standards as the basis for their own national standards, which have significantly reduced infant mortality from infectious diseases. The Montreal Protocol has meaningfully benefited the planet by protecting the ozone layer and mitigating climate change. Multilateral agreements such as the Stockholm Convention on Persistent Organic Pollutants and the Minamata Convention on mercury have curtailed our exposure to hazardous chemicals. China’s clean air action plans have achieved remarkable air quality improvements in record time, demonstrating that environmental progress is possible even amid rapid economic expansion. Today’s environmental crises continue to defy geopolitical boundaries and the politics that compound them. Mercury pollution in tuna, plastics in the ocean, and chemical contaminants in Arctic and Antarctic wildlife are a few examples illustrating that no single country or continent can confront these challenges alone. The increasing frequency and intensity of environmental disasters due to climate change, from record-breaking wildfires to catastrophic flooding, further underscore the urgency for global, coordinated actions. As environmental scientists and engineers, our mandate is clear: we must remain steadfast in our commitment to truth and scientific integrity. We must amplify our voices, educating, informing, and engaging with decision-makers and the public and insisting that scientific facts underpin policy decisions. More than ever, it is crucial to share our findings effectivel","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"1 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798315","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":"Explainable artificial intelligence for energy systems maintenance: A review on concepts, current techniques, challenges, and prospects","authors":"Mohammad Reza Shadi,&nbsp;Hamid Mirshekali,&nbsp;Hamid Reza Shaker","doi":"10.1016/j.rser.2025.115668","DOIUrl":"10.1016/j.rser.2025.115668","url":null,"abstract":"<div><div>The rising demand for energy requires high investments in network extensions and renewable sources, alongside replacing inefficient systems. Smart maintenance is important in minimizing unscheduled outages, reducing costs, improving network security, and increasing equipment’s life expectancy. The vast amount of data collected by sensors and measurements in energy networks makes it hard for humans to detect failures continuously. Thanks to recent breakthroughs in AI, the energy sector has boosted the use of intelligent algorithms in this field. Despite the widespread popularity and great results of machine learning (ML) models in many applications, they are mostly nevertheless considered ”black boxes” as understanding their functionality and transparency in real-world applications is challenging. Explainable Artificial Intelligence (XAI) tackles this by making AI systems’ decision-making processes transparent and interpretable. This review paper will not only make the roadmap clear but also ensure an in-depth awareness of the challenges, opportunities, and developments associated with this path by presenting two comprehensive taxonomies. Various XAI methods are compared; as an example, our findings show that SHAP offers high trustworthiness but is less suited for real-time use, while LIME provides faster solutions with lower trustworthiness. To the best of the authors’ knowledge, this is the first survey that provides an overview of XAI methods for energy systems maintenance (ESM). It addresses challenges like integrating XAI with IoT-powered digital twins, balancing explainability with cybersecurity, and ensuring scalability while proposing solutions to enhance reliability and efficiency.</div></div>","PeriodicalId":418,"journal":{"name":"Renewable and Sustainable Energy Reviews","volume":"216 ","pages":"Article 115668"},"PeriodicalIF":16.3,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792127","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Modeling the Monolayer Formation of Merocyanine HB238 on the Ag(100) Surface","authors":"Ritu Tomar, Anna J. Kny, Moritz Sokolowski, Thomas Bredow","doi":"10.1021/acs.jpcc.4c08683","DOIUrl":"https://doi.org/10.1021/acs.jpcc.4c08683","url":null,"abstract":"We recently published a study on the adsorption of the merocyanine HB238 (2-[5-(5-dibutyl-amino-thiophene-2-yl-methylene)-4-<i>tert</i>-butyl-5H-thiazol-2-ylidene]-malononitrile) on the Ag(100) surface using scanning tunneling microscopy (STM), spot profile analyzing low electron diffraction (SPA-LEED), x-ray photoelectron spectroscopy (XPS), and ultraviolet photoelectron spectroscopy (UPS) techniques [Kny et al., Nanoscale, <b>2023</b>, <i>15</i>, 10319]. We observed that HB238 self-organizes as a chiral tetramer upon adsorption. The adsorbate structure, denoted as α-phase, is completely different from the known bulk structures of HB238. However, the previous study was mainly experimental; in the present study, we focus on the results of quantum chemical calculations to corroborate the previous experimental findings and interpret the measured spectra in order to deepen the understanding of the adsorption process. For this purpose, we first screened the full conformer space of the HB238 molecule, particularly with respect to its flexible alkyl side chains, which obtain several degrees of freedom due to possible rotations along their single bonds. The most stable structures were then used to determine the optimal orientations of HB238 on the Ag(100) surface and to compare to the experimental α-phase structure. We generated various initial configurations of the HB238 monolayer on a three-layer Ag slab model. For the most stable adsorption model, STM images, projected density of states (PDOS), x-ray absorption spectra (XAS), and adsorption height profiles were calculated and compared with the previous experimental results. Our observations reveal a significant alteration in the HB238 conformation upon adsorption, with monolayers forming through stabilization mainly by electrostatic and dispersion interactions with the Ag(100) surface.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"89 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798585","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Modulating the Electrocatalytic Hydrogenation of Benzaldehyde on Cu@C Electrode Materials","authors":"Christian Schröder, Lua Henderson, Filippo Pota, Kiaya Doyle, Paula E. Colavita","doi":"10.1021/acs.jpcc.4c08444","DOIUrl":"https://doi.org/10.1021/acs.jpcc.4c08444","url":null,"abstract":"Electrocatalytic hydrogenation (ECH) is a promising route toward a more sustainable synthesis of fuels and chemicals. State-of-the-art catalysts are still reliant on precious metals and new electrocatalysts based on low cost materials would be desired. Copper has shown good activity in ECH applications; however, its ability to promote carbon coupling reactions yields mixed product feeds. Different ways to moderate the selectivity have been proposed, for example, alloying the copper with precious metals. Herein we report on carbon-covered copper electrodes and their activity in the ECH of benzaldehyde as a diagnostic organic substrate. Material synthesis using sequential dc-magnetron sputtering of copper and carbon did not yield chemical changes of the copper or the carbon layer. Electrochemical investigation suggests that the electrocatalytic activity of the copper is largely maintained. Studies on the ECH give a similar picture, with the faradaic efficiency and the amount of reduced benzaldehyde seemingly independent of the carbon coverage. However, the selectivity is influenced by the carbon, with a complex trend, giving increased selectivity toward benzyl alcohol for moderate carbon coverage. We propose that the carbon influences the relative surface concentration between adsorbed hydrogen and adsorbed benzaldehyde/ketyl radical. Two possible routes for this have been outlined. We think that this approach to modulate selectivity is promising, as it uses low cost materials and a scalable technology, and could make copper and other transition metals more attractive for ECH applications.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"217 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798338","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Electronic Spin Relaxation and Clustering in High-Pressure High-Temperature Synthesized Microcrystalline Diamond Particles with Reduced Nitrogen Content","authors":"Nicholas Nunn, Sergey Milikisiyants, Marco D. Torelli, Alexander Healey, Roy Styles, Brett C. Johnson, Jean-Philippe Tetienne, Philipp Reineck, Christopher Long, Timothy Dumm, Adam Dalis, Hiroshi Abe, Takeshi Ohshima, Leo Joon Il Moon, Emanuel Druga, Ashok Ajoy, Alexander I. Shames, Alex I. Smirnov, Olga A. Shenderova","doi":"10.1021/acs.jpcc.5c00471","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c00471","url":null,"abstract":"The negatively charged nitrogen-vacancy (NV^–) color center in diamonds is widely studied because of numerous applications of this unique quantum system in sensing and quantum information sciences. While substitutional nitrogen is required to form the NV^– centers in diamond, it also yields other paramagnetic defects─primarily the neutrally charged substitutional nitrogen centers (P1)─that decrease NV^– spin coherence, which in turn degrades performance in applications. Herein, we investigate high-pressure high-temperature synthesized diamond microparticles (<i>ca</i>. 140–185 μm) having lower─ranging from 3 to 38 ppm─than the typical nitrogen content of type 1b diamond (<i>ca</i>. 100 ppm and higher) typically used for the production of fluorescent diamond particles with NV^– centers. A suite of electron paramagnetic resonance, optically detected magnetic resonance, and nuclear magnetic resonance methods are used to characterize spin properties of P1 and NV^– centers in the particles. Upon decreasing the nitrogen content from 29 to 3 ppm, the ensemble NV^– <i>T</i>₂ relaxation time increased by about 3-fold as measured directly in the Hahn Echo experiment at magnetic field of 1.2 T. Analysis of electronic relaxation of P1 centers revealed the existence of at least two distinct populations of P1 centers, consisting of fast and slower relaxing spins and allowed for an estimation of local concentrations. Even with &lt;10 ppm nitrogen contents, the analysis indicated a highly heterogeneous distribution of P1 centers, suggesting the possibility of P1 spin clustering even at low nitrogen concentrations. The combined data demonstrate that the particles prepared from HPHT diamond with a low nitrogen content offer improved spin properties that are beneficial for NV^– sensing applications.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"34 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798435","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Amine–MeOH Binary Systems as Catalysts for Cyclic Carbonate Formation from Epoxides and Carbon Dioxide: A DFT Mechanistic Investigation","authors":"Young Kee Kang, Hae Sook Park","doi":"10.1021/acs.joc.5c00141","DOIUrl":"https://doi.org/10.1021/acs.joc.5c00141","url":null,"abstract":"The detailed mechanism of propylene carbonate (PC) formation from propylene oxide (PO) and CO₂ is investigated using density functional theory (DFT) methods, catalyzed by amine/MeOH binary systems, in propylene oxide under conditions of room temperature and 1 atm. In these systems, amines (MeNH₂, Me₂NH, Me₃N, and pyrrolidine) serve as nucleophiles, while MeOH acts as a hydrogen bond donor (HBD). The catalyzed reaction pathways for PC formation consistently proceed through two transition states, ts1 and ts2, corresponding to the oxide ring-opening and final ring-closing steps, respectively. The ring-closing step was identified as the rate-determining step in all amine/MeOH binary systems. Notably, the three aliphatic amine/MeOH binary systems significantly lower activation barriers for PC formation by approximately 20 kcal mol^–1 compared to the uncatalyzed ring-closing pathway under standard conditions. The Me₂NH/MeOH binary system demonstrates slightly higher catalytic efficiency than the MeNH₂ and Me₃N systems. Furthermore, the pyrrolidine/MeOH binary system exhibits comparable catalytic performance to the Me₂NH/MeOH system. Since pyrrolidine is liquid under standard conditions, it can act as a homogeneous catalyst when paired with MeOH, enhancing mixing with PO and improving catalytic activity relative to gaseous Me₂NH.","PeriodicalId":57,"journal":{"name":"Journal of Organic Chemistry","volume":"38 1","pages":""},"PeriodicalIF":4.354,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798587","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Influence of Epitaxial Graphene Substrate Morphology on the Orientation of CVD-Grown MoS2 Monolayers","authors":"Negar Zebardastan, Jonathan Bradford, Jennifer MacLeod, Nunzio Motta","doi":"10.1021/acs.jpcc.5c00517","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c00517","url":null,"abstract":"In this work, we analyze the growth of monolayer MoS₂ islands on two different epitaxial graphene substrates: graphene on off-axis SiC and graphene on on-axis SiC. The aim is to understand the effect of substrate steps and surface lattice directions on the growth of MoS₂ islands, determining their orientation with respect to the epitaxial graphene lattice and the SiC surface morphology. We combine statistical analysis of the preferred orientation of MoS₂ islands with atomic resolution imaging through STM and conductive AFM to determine the precise lattice orientation of MoS₂ relative to the substrate. Our study reveals that MoS₂ islands tend to align with the epitaxial graphene lattice on both substrates and that the uniform step-terrace structure of off-axis substrates reduces the number of mirror-twin domains. These results demonstrate that substrate morphology plays a crucial role in directing the evolution of monolayer MoS₂, marking an important step toward wafer-scale growth of single-crystal transition metal dichalcogenides on epitaxial graphene for 2D electronics applications.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"4 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798340","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structure and Toxicity Characterization of Alkyl Hydroxylated Metabolites of 6PPD-Q","authors":"Pranav Nair, Holly Barrett, Kaylin Tanoto, Linna Xie, Jianxian Sun, Diwen Yang, Han Yao, Datong Song, Hui Peng","doi":"10.1021/acs.est.4c11823","DOIUrl":"https://doi.org/10.1021/acs.est.4c11823","url":null,"abstract":"Distinct from other nontoxic phenyl-<i>p</i>-phenylenediamine (PPD) quinones, <i>N</i>-(1,3-dimethylbutyl)-<i>N</i>′-phenyl-<i>p</i>-phenylenediamine-quinone (6PPD-Q) was recently discovered to be regioselectively metabolized to alkyl hydroxylated metabolites (alkyl–OH-6PPD-Q) in rainbow trout. It remains unknown whether the unique alkyl–OH-6PPD-Q contributes to the toxicity of 6PPD-Q. To test this, we herein synthesized chemical standards of alkyl–OH-6PPD-Q isomers and investigated their metabolic formation mechanism and toxicity. The predominant alkyl–OH-6PPD-Q was confirmed to be hydroxylated on the C₄ tertiary carbon (C₄–OH-6PPD-Q). The formation of C₄–OH-6PPD-Q was only observed in microsomal but not in cytosolic fractions of rainbow trout (<i>O. mykiss</i>) liver S9. A general cytochrome P450 (CYP450) inhibitor fluoxetine inhibited the formation of hydroxylated metabolites of 6PPD-Q, supporting that CYP450 catalyzed the hydroxylation. This well-explained the compound- and regio-selective formation of C₄–OH-6PPD-Q, due to the weak C–H bond on the C₄ tertiary carbon. Surprisingly, while cytotoxicity was observed for 6PPD-Q and C₃–OH-6PPD-Q in a coho salmon (<i>O. kisutch</i>) embryo (CSE-119) cell line, no toxicity was observed for C₄–OH-6PPD-Q. To further confirm this under physiologically relevant conditions, we fractionated 6PPD-Q metabolites formed in the liver microsome of rainbow trout. Cytotoxicity was observed for the fraction of 6PPD-Q, but not the fraction of C₄–OH-6PPD-Q. In summary, this study highlighted the C₄ tertiary carbon as the key moiety for both metabolism and toxicity of 6PPD-Q and confirmed that alkyl hydroxylation is a detoxification pathway for 6PPD-Q.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"244 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798193","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":"Single-Atom Doping at the Molecule–Metal Interface: How Rh Affects Surface Explosion Kinetics","authors":"Avery S. Daniels, Andrew J. Gellman, E. Charles H. Sykes","doi":"10.1021/acs.jpclett.5c00456","DOIUrl":"https://doi.org/10.1021/acs.jpclett.5c00456","url":null,"abstract":"Controlling chemical reactions at interfaces is central to many fields, including atmospheric, environmental, and biological chemistry as well as catalysis and corrosion. We performed a fundamental study of how catalytically active Rh atoms placed at and above a molecule-metal interface influence the surface reaction kinetics of tartaric acid (TA) decomposition. Specifically, TA decomposition on Cu(100) exhibits autocatalytic decomposition kinetics involving a slow initiation step followed by fast decomposition of the molecular layer. These so-called “surface explosions” are extremely sensitive to initial conditions, making it fundamentally interesting to study how the placement of reactive atoms affects the reaction rate. Temperature-programmed reaction (TPR) experiments reveal that Rh atoms embedded in the Cu(100) surface beneath TA (TA/Rh/Cu) or atop the TA layer (Rh/TA/Cu) reduce the decomposition temperature and modify the reaction rate constants. Isothermal TPR analysis reveals that Rh enhances both the initiation rate constant, <i>k</i>_<i>i</i>, and the explosion rate constant, <i>k</i>_<i>e</i>, facilitating explosive decomposition at lower temperatures. This result provides evidence that both the initiation and explosion steps occur at the metal-molecule interface and are accelerated by the presence of Rh at this interface. This study illustrates how small amounts of reactive elements may be used to control nonlinear kinetic processes at interfaces.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"59 1","pages":""},"PeriodicalIF":6.475,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798583","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Suspect and Nontarget Screening of Organic Micropollutants in Swiss Sewage Sludge: A Nationwide Survey","authors":"Pablo A. Lara-Martín, Lena Schinkel, Yves Eberhard, Walter Giger, Michael Berg, Juliane Hollender","doi":"10.1021/acs.est.4c13217","DOIUrl":"https://doi.org/10.1021/acs.est.4c13217","url":null,"abstract":"The increasing amount of sewage sludge generated during wastewater treatment poses both growing management challenge and environmental issues. Sludge with many co-occurring contaminants is often destined to land application which raises concern regarding human and environmental health. It is also a good integrator in time and space and can provide valuable information on consumption pattern and change over time. Here, we have conducted suspect and nontarget screening (SNTS) in sludge from 29 wastewater treatment plants (WWTPs) covering 30% of the Swiss population. Over 500 contaminants were identified and up to 382 quantified, with concentrations ranging from a few ng/g to several thousand ng/g, which translated into total annual loads of approximately 5 g of micropollutants per Swiss citizen. The distribution of detected substances was dominated by pharmaceuticals in terms of number of compounds (&gt;250) and personal care products in terms of concentration (e.g., 75 μg/g for linoleic acid). Homologous series analysis revealed the presence of multiple classes of surfactants among those compounds with the highest signal intensities in sludge. Principal component analysis and hierarchical clustering showed that spatial distribution of contaminants across Switzerland was not homogeneous, while Pearson correlation indicated that changes can be attributed to different anaerobic digestion times in WWTPs.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"36 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798196","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}