ACS Omega最新文献

{"title":"Application of Artificial Neural Networks and Factorial Design Analysis for Predicting the Interaction of Influencing Process Parameters in CO2 Mineralization of Magnesium-Rich Mining Materials","authors":"Iris Samputu,&nbsp;, ,&nbsp;Hamid Radfarnia*,&nbsp;, and ,&nbsp;Kourosh Zanganeh,&nbsp;","doi":"10.1021/acsomega.5c06358","DOIUrl":"https://doi.org/10.1021/acsomega.5c06358","url":null,"abstract":"<p >Ex situ aqueous-based CO₂ mineralization of magnesium-bearing mine wastes presents a promising pathway for carbon sequestration and resource recovery, relying on both direct and indirect carbonation approaches. However, their efficiency depends on optimizing key process parameters, such as solid/liquid particle size, pretreatment, temperature, pressure, pH, and their interactions. This study provides a comprehensive analysis of CO₂ mineralization in magnesium-based mine wastes, utilizing an extensive data library from existing literature. Both direct and indirect mineralization approaches, including extraction and carbonation, were assessed to understand key process parameter interactions. Utilizing artificial neural networks (ANN) and a 3^k full factorial design coupled with Analysis of Variance (ANOVA), the study investigated nonlinear relationships and the statistical significance of influencing factors for these processes. Key findings indicated that for the extraction process, optimization is driven by feedstock material pretreatment, extraction agent, temperature, and particle size. For direct CO₂ carbonation, prioritization of pretreatment, CO₂ concentration, and particle size reduction are most important, with a secondary focus on solution chemistry. However, for the indirect carbonation approach, the dominance of carbonation assisting agents and solution pH highlights the importance of solution chemistry in aqueous carbonation rather than the physical properties of the feedstocks. These insights provide a robust framework for understanding the complex relationships between different process variables that play a pronounced role in the CO₂ mineralization of magnesium-rich mining materials. Understanding influential factors enables better design and optimization of processes for enhanced efficiency and sustainability.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 41","pages":"48614–48641"},"PeriodicalIF":4.3,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c06358","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145319379","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Amyloidogenic Growth Observation of Stem Bromelain via Atomic Force Microscopy","authors":"Maria Christine Lugo*,&nbsp;, ,&nbsp;Atsushi Kammura,&nbsp;, ,&nbsp;Toshiharu Kobayashi,&nbsp;, ,&nbsp;Masahiro Ito,&nbsp;, ,&nbsp;Takunori Harada,&nbsp;, and ,&nbsp;Kazuo Umemura,&nbsp;","doi":"10.1021/acsomega.5c07595","DOIUrl":"https://doi.org/10.1021/acsomega.5c07595","url":null,"abstract":"<p >In this paper, we report on the amyloidogenic fibril formation of stem bromelain (SB) by using atomic force microscopy (AFM). Stem bromelain (SB), a proteolytic enzyme, is widely used in industries and medicine, making it essential to understand the factors affecting aggregation. Amyloid formation entails the assembly of proteins into highly ordered, β-sheet-rich fibrillar structures; yet while heating is a recognized trigger for SB fibrillation, the extent of continued fibril growth at room temperature incubation and its nanoscopic morphological observation remain unexplored. Here, SB was heated in pH 10.8 borate buffer at 65 °C for 10 h, then incubated at room temperature for 1, 3, and 7 days, respectively. A time-course imaging directly visualized the morphological progression from small, dispersed protofibrils on day 1 to increasingly pronounced fibrillar bundles on day 3 and dense, interconnected amyloid networks by day 7. Quantitative analysis of AFM images revealed a progressive increase in alignment in the orientation distribution, which shows directional growth of fibril on mica substrate. Moreover, there is a clear upward trend in fibril coverage area over time, with day 7 showing significantly higher coverage, which implies structural organization. We also introduce a technique that provides an accessible, high-resolution approach for real-time morphological studies of SB protofibril elongation and provides new insights into the kinetics and organizational dynamics of amyloid fibril formation.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 41","pages":"49002–49009"},"PeriodicalIF":4.3,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c07595","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145319374","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect Mechanism Analysis of Explosion Impact on Physical and Chemical Properties of Steel Pipeline","authors":"Hailiang Nie*,&nbsp;, ,&nbsp;Peng Luo,&nbsp;, ,&nbsp;Lijun Yin,&nbsp;, ,&nbsp;Ke Wang,&nbsp;, ,&nbsp;Junjie Ren,&nbsp;, ,&nbsp;Wei Dang,&nbsp;, ,&nbsp;Xiaobin Liang,&nbsp;, and ,&nbsp;Weifeng Ma,&nbsp;","doi":"10.1021/acsomega.5c05015","DOIUrl":"https://doi.org/10.1021/acsomega.5c05015","url":null,"abstract":"<p >Pipeline is the main way of oil and gas transportation; however, pipelines easily produce internal corrosion under the laying environment, transmission medium, and other factors and even lead to an explosion accident. The cause and process inversion of pipeline explosions is important in the failure analysis of oil and gas pipelines. This study examines the impact of explosions on the physicochemical properties of steel pipelines, focusing on the general mechanisms of pipeline failure in oil and gas transportation. Based on a case study of a pipeline burst caused by corrosion in a mountainous area, the influence of the law of shock load on the physical and chemical properties of pipelines is analyzed. The physicochemical properties of the residual samples are tested and analyzed to validate the failure analysis results. Finite element simulation is employed to reproduce the pipeline burst failure process, and the results are consistent with the field data. The findings provide insights into the failure mechanisms of oil and gas pipelines, offering guidance for the safe operation and maintenance of such pipelines in various environments.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 41","pages":"48201–48211"},"PeriodicalIF":4.3,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c05015","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145319370","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mathematical Modeling of H1-Antihistamines: A QSPR Approach Using Topological Indices","authors":"Merin Manuel,&nbsp; and ,&nbsp;Parthiban Angamuthu*,&nbsp;","doi":"10.1021/acsomega.5c07577","DOIUrl":"https://doi.org/10.1021/acsomega.5c07577","url":null,"abstract":"<p >Allergic diseases represent a significant global health burden, requiring effective and safe therapeutic agents for long-term management. H1-antihistamines are among the most widely prescribed and over-the-counter drugs for treating allergic conditions, yet their variable physicochemical and pharmacokinetic properties present challenges in optimizing drug selection, safety, and efficacy. A systematic exploration of their structure–property relationships is, therefore, essential for guiding rational drug design. In this study, the Quantitative Structure–Property Relationship (QSPR) of a selection of H1-antihistamines, including both conventional and second-generation compounds, is investigated by using degree-based topological indices and linear regression models. The computed indices are systematically correlated to key physicochemical properties, revealing strong and statistically significant relationships. These findings provide deeper insights into the molecular factors influencing drug behavior and highlight the predictive utility of topological descriptors. Overall, the developed QSPR models not only enhance the understanding of H1-antihistamines but also establish a framework that can accelerate the identification and optimization of next-generation agents with improved pharmacological profiles.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 41","pages":"49019–49034"},"PeriodicalIF":4.3,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c07577","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145319400","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Cost-Effective Fabrication of Laser-Induced Graphene Electrochemical Cell for NADH Detection","authors":"Ketley Caroline Rocha Pereira,&nbsp;, ,&nbsp;Elsa Maria Materón,&nbsp;, ,&nbsp;Matheus Santos Dias,&nbsp;, ,&nbsp;Tatiana Parra Vello,&nbsp;, ,&nbsp;Deissy Feria Garnica,&nbsp;, ,&nbsp;Gustavo Miguel Sousa,&nbsp;, ,&nbsp;Camila Marchetti Maroneze,&nbsp;, and ,&nbsp;Cecilia de Carvalho Castro Silva*,&nbsp;","doi":"10.1021/acsomega.5c04282","DOIUrl":"https://doi.org/10.1021/acsomega.5c04282","url":null,"abstract":"<p >The unique properties and versatile applications of laser-induced graphene (LIG) have garnered significant interest for electrochemical sensing technologies. In this study, we report the fabrication and application of an in-house produced LIG/polyimide (PI) composite, generated via 450 nm laser irradiation, for the amperometric detection of Nicotinamide Adenine Dinucleotide (NADH), a critical biomarker associated with several neurodegenerative human diseases. The LIG structure was confirmed by Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and sheet resistance measurements, with an average sheet resistance (<i>R</i>_s) of 24.38 ± 2.19 Ω/□, indicating excellent electrical conductivity. XPS analysis revealed the presence of C═O bonds (288.9 eV), formed under oxidizing conditions during LIG fabrication, which may contribute to enhanced electrocatalytic activity by facilitating NADH oxidation through redox mediation. Using a printed Ag/AgCl pseudoreference electrode and an applied potential of only 50 mV vs Ag/AgCl, NADH was detected within a concentration range of 5 μmol L^–1 to 10 mmol L^–1. The sensor exhibited a limit of detection (LOD) of 2.72 μmol L^–1 and a limit of quantification (LOQ) of 9.07 μmol L^–1, with a linear response up to 1 mmol L^–1. The repeatability of the electrochemical oxidation of NADH resulted in a relative standard deviation (RSD) of 2.76%, while the reproducibility, evaluated as intra- and interbatch variability, yielded RSD values of 5.78 and 8.22%, respectively. Furthermore, the total material cost for each electrochemical cell was estimated at only U$ 0.10, highlighting the method’s potential for low-cost and environmentally friendly biosensor development. The fabricated LIG platform offers a promising route for sensitive, scalable, and sustainable detection of NADH and potentially other clinically relevant analytes.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 41","pages":"48100–48110"},"PeriodicalIF":4.3,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c04282","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145319403","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Electrochemical Detection of Melatonin in the Presence of Dopamine on a Ce-Doped Poly(bromocresol purple)-Modified Electrode","authors":"Hülya ÖztürkDoğan*,&nbsp;, ,&nbsp;Neslihan Çelebi*,&nbsp;, and ,&nbsp;Arzu Kavaz Yüksel,&nbsp;","doi":"10.1021/acsomega.5c04226","DOIUrl":"https://doi.org/10.1021/acsomega.5c04226","url":null,"abstract":"<p >In this study, bromocresol purple was electropolymerized on the surface of a pencil graphite electrode (PGE) and electrochemically doped with cerium (Ce) nanoparticles. The Ce-doped poly(bromocresol purple) (Ce/PBCP)-modified PGE was characterized using energy dispersive X-ray spectroscopy, scanning electron microscopy, and X-ray photoelectron spectroscopy. The prepared Ce/PBCP electrode was investigated for the electrochemical determination of melatonin in the presence of dopamine. The electrochemical activity of the Ce/PBCP electrode was compared with that of undoped PBCP, Ce/PGE, and bare PGE. The peak potential and peak current for melatonin oxidation were +800 mV and 820 μA cm^–2, respectively. The detection limit of melatonin was 0.038 μM, and the Ce/PBCP electrode exhibited high activity in the presence of interfering species. In addition, the use of a Ce/PBCP electrode for detecting melatonin in a terebinth sample, a real food sample, was also investigated, and the produced electrode demonstrated high performance.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 41","pages":"48091–48099"},"PeriodicalIF":4.3,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c04226","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145319404","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Learning Multidimensional Electronegativity of Selected Atom Types in Organic Molecules Using Graph Neural Networks","authors":"Da Bean Han,&nbsp;, ,&nbsp;Gyoung S. Na,&nbsp;, and ,&nbsp;Hyun Woo Kim*,&nbsp;","doi":"10.1021/acsomega.5c06731","DOIUrl":"https://doi.org/10.1021/acsomega.5c06731","url":null,"abstract":"<p >Electronegativity can be considered a data-driven concept that has been widely used since Pauling proposed this property. However, updating the electronegativity based on the vast amount of high-quality experimental and computational data has been overlooked. Thus, advances in artificial intelligence (AI), with its ability to manage large data sets and identify underlying patterns, necessitate reconsidering data-driven concepts such as electronegativity. In this work, we present a data-driven method to generate more informative multidimensional electronegativity of atoms in organic molecules using graph neural networks. Although this electronegativity can be extended to any dimension, we focused on 2D electronegativity to do a more detailed classification of the atoms and their covalent bonds. By replacing the conventional electronegativity with the newly proposed one, we observed performance improvement in molecular machine learning tasks. We believe that our findings will be useful in understanding electronegativity and chemical bonds by applying AI-driven methods to chemical studies.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 41","pages":"48740–48749"},"PeriodicalIF":4.3,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c06731","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145319399","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"C9orf72 Dipeptide Repeat Proteinopathy Is Linked to Increased Histone H3 Phosphorylation on Serine 10","authors":"Samantha N. Cobos,&nbsp;, ,&nbsp;Raven M. A. Fisher,&nbsp;, ,&nbsp;Seth A. Bennett,&nbsp;, ,&nbsp;Chaim Janani,&nbsp;, ,&nbsp;David K. Dansu,&nbsp;, ,&nbsp;Matthew M. Cleere,&nbsp;, ,&nbsp;Arefa Yeasmin,&nbsp;, ,&nbsp;Gabriel Cruz,&nbsp;, ,&nbsp;Sidra Qureshi,&nbsp;, ,&nbsp;William Villasi,&nbsp;, ,&nbsp;Rania Frederic,&nbsp;, ,&nbsp;Kyle Chen,&nbsp;, ,&nbsp;Mila Mirzakandova,&nbsp;, ,&nbsp;George Angelakakis,&nbsp;, ,&nbsp;Elizaveta Son,&nbsp;, ,&nbsp;Andrew Elgendy,&nbsp;, and ,&nbsp;Mariana P. Torrente*,&nbsp;","doi":"10.1021/acsomega.5c05836","DOIUrl":"https://doi.org/10.1021/acsomega.5c05836","url":null,"abstract":"<p >Amyotrophic lateral sclerosis (ALS) and frontotemporal dementia (FTD) are fatal illnesses forming a neurodegenerative disease continuum. While most ALS/FTD cases are sporadic, a small proportion of cases are linked to mutations in many genes. Among these, hexanucleotide repeat expansions in the <i>C9orf72</i> gene are the most common and lead to the formation of dipeptide repeat proteins (DPRs), including a proline-arginine dipeptide (PR), which aggregate in the cytoplasm of decaying neurons. As genetics alone fails to explain the etiology of ALS/FTD, it is possible that epigenetic mechanisms – such as histone post-translational modifications (PTMs) – are involved in disease processes. A <i>Saccharomyces cerevisiae</i> (PR)₅₀ overexpression model displays overt growth suppression and aggregation. Here, we exploit this model as a discovery platform to comprehensively characterize changes in the levels of PTMs on Histones H3 and H4. We find that overexpression of (PR)₅₀ is associated with increased levels of phosphorylation on Histone H3 at Serine 10 (H3S10ph). Furthermore, (PR)₅₀ overexpression revealed modest increases in the levels of other marks associated with increased gene expression. Remarkably, decreased abundance of Ipl1, the kinase responsible for phosphorylating H3S10 in yeast, leads to amelioration of the growth suppression phenotype and restores H3S10ph levels even in the context of (PR)₅₀ overexpression. Recapitulating our results in yeast, several <i>c9orf72</i> ALS patient-derived fibroblasts and induced pluripotent stem cell (iPSCs) lines display similar increases in H3S10ph levels. Altogether, these findings reveal a previously undiscovered connection between H3S10ph and c9 ALS/FTD proteinopathy that could reveal novel targets for the treatment of this disease.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 41","pages":"48395–48411"},"PeriodicalIF":4.3,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c05836","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145319344","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Prediction of SF6 Replacement Gases Based on Machine Learning","authors":"Guocheng Ding,&nbsp;, ,&nbsp;Wei Liu,&nbsp;, ,&nbsp;Mengxuan Ling,&nbsp;, ,&nbsp;Feiyu Chen,&nbsp;, ,&nbsp;Zien Liu,&nbsp;, ,&nbsp;Qinqin Yuan,&nbsp;, and ,&nbsp;Longjiu Cheng*,&nbsp;","doi":"10.1021/acsomega.5c07512","DOIUrl":"https://doi.org/10.1021/acsomega.5c07512","url":null,"abstract":"<p >Global Warming Potential (GWP) is a crucial criterion for assessing the impact of SF₆ replacement gases on climate change, which is determined by radiative efficiency (RE) and atmospheric lifetime (τ). This work leverages six modified machine learning (ML) methods to estimate GWP and its critical parameters (τ and RE), as well as explore their correlations via molecular descriptors, aiming at high-throughput screening and evaluation of potential SF₆ replacement gases. Based on the coefficient of determination, mean absolute error, and root-mean-square error, the optimal ML methods are Histogram Gradient Boosting Regression for GWP (0.95, 0.28, and 0.33), Gradient Boosting Regression for τ (0.92, 0.28, and 0.40), and Extreme Tree for RE (0.90, 0.04, and 0.05). Furthermore, molecular descriptors analysis reveals that τ and RE are mainly influenced by the energy of the highest occupied molecular orbitals and the gap between the highest occupied molecular orbitals and the lowest unoccupied molecular orbitals, respectively, which jointly affect GWP. Ultimately, the developed models are applied to screen the GWP₁₀₀ of 853 molecules from the QuanDB data set, yielding six SF₆ replacement gases with low boiling points, low GWP, and high electrical strength. This work not only predicts viable alternatives to SF₆ replacement gases but also provides insight into intrinsic correlations between GWP and its critical parameters (τ and RE).</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 41","pages":"49010–49018"},"PeriodicalIF":4.3,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c07512","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145319373","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Alteration of Coal Fly Ash Induced by Aging Treatment: Insights from Mineral Quantification Analysis","authors":"Tsugumi Seki*,&nbsp;, ,&nbsp;Tatsuru Takahashi,&nbsp;, ,&nbsp;Taiji Chida,&nbsp;, ,&nbsp;Chihiro Inoue,&nbsp;, and ,&nbsp;Yasumasa Ogawa,&nbsp;","doi":"10.1021/acsomega.5c06820","DOIUrl":"https://doi.org/10.1021/acsomega.5c06820","url":null,"abstract":"<p >The mineral composition of coal fly ash (FA) subjected to an aging treatment was analyzed using mineral liberation analysis (MLA) to elucidate the alteration behavior of FA, including changes in the leaching behavior of toxic elements such as B, As, and Se. Three types of FA generated from a coal-fired power plant in Japan, with initial pH values of 4, 9, and 12, were subjected to leaching experiments. These FA samples exhibited different alteration behaviors depending on their initial pH. FA1, with a pH of 12, exhibited a significant decrease in the leaching of B and Se after aging, and the MLA results revealed a slight change in the major mineral contents. However, the amount of ettringite, Ca₆Al₂(SO₄)₃(OH)₁₂•26H₂O, slightly increased during the aging period, which was consistent with the leaching behavior of Ca, SO₄^2–, and Al. In contrast, FA2, with an initial pH of 4, did not exhibit decreases in the leaching of B, As, or Se during aging, and the MLA results revealed a significant increase in quartz owing to the dissolution of aluminosilicates during aging. For FA3, with an initial pH of 9, the leaching of B and Se decreased slightly following aging, and the MLA results revealed a significant increase in quartz and mullite and a significant decrease in muscovite-like K-aluminosilicate. Furthermore, the amount of ettringite increased slightly, indicating the potential formation of monosulfate (kuzelite), Ca₄Al₂(OH)₁₂(SO₄)•6H₂O, considering the stability of ettringite under the given pH conditions. These findings suggest that the immobilization of toxic elements during aging is influenced by the initial pH and secondary mineral phase formation. Moreover, the results offer valuable insights into the environmental alteration behavior of FA and demonstrate the applicability of MLA for characterizing heterogeneous environmental materials with complex compositions, such as FA.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 41","pages":"48787–48797"},"PeriodicalIF":4.3,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c06820","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145319381","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}