IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-05-28 DOI: 10.1021/acs.est.4c10046

Nathan O. Earl, Jeroen J. M. de Klein, Andrew S. Mehring

{"title":"Black and White Fire Ash Alters Greenhouse Gas Emissions and Temporarily Reverses Carbon Source-Sink Status in Aquatic Mesocosms","authors":"Nathan O. Earl, Jeroen J. M. de Klein, Andrew S. Mehring","doi":"10.1021/acs.est.4c10046","DOIUrl":"https://doi.org/10.1021/acs.est.4c10046","url":null,"abstract":"Wildfire ash is transported in large quantities to receiving water bodies, where it may exert strong chemical controls on ecosystem function. To assess the role of fire ash in altering CO2 and CH4 fluxes in aquatic sediments, we designed three mesocosm experiments that compared the changing fluxes of these gases and water quality parameters under different loads and types of ash. Black ash (char) caused substantial drops in pH and increased CO2 and CH4 emissions through abiotic and biotic mechanisms, while white ash dramatically increased pH and enhanced CH4 emissions, possibly due to inhibition of methanotrophy. White ash-driven increases in pH also instigated CO2 uptake. If this abiotically driven CO2 uptake could interact with ash-driven nutrient fertilization to synergistically enhance biotic CO2 uptake in surface waters after a fire, these initial increases in pH may represent an important priming effect. Our findings suggest that strong ash flows following fires may trigger substantial pulses of heterotrophic or abiotically driven greenhouse gas emissions or uptake in recipient lentic aquatic ecosystems, which─although they may be overshadowed by autotrophic responses─may nonetheless be central to altered lake or wetland carbon balance following a fire.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"19 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144165431","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}

引用次数: 0

High-Throughput Monitoring of 323 Pharmaceuticals and Personal Care Products (PPCPs) and Pesticides in Surface Water for Environmental Risk Assessment 地表水中323种药品、个人护理用品和农药的高通量监测及其环境风险评估

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-05-27 DOI: 10.1021/acs.est.5c05363

Jingjing Du, Jian Xu, Yuanyuan Luo, Xiaowei Li, Liang Zhao, Saiwa Liu, Xi Jia, Zhinan Wang, Lirui Ge, Kexin Cui, Yu Ga, Mengxuan Zhu, Tianrun Ji, Zelong Huang, Xi Xia

{"title":"High-Throughput Monitoring of 323 Pharmaceuticals and Personal Care Products (PPCPs) and Pesticides in Surface Water for Environmental Risk Assessment","authors":"Jingjing Du, Jian Xu, Yuanyuan Luo, Xiaowei Li, Liang Zhao, Saiwa Liu, Xi Jia, Zhinan Wang, Lirui Ge, Kexin Cui, Yu Ga, Mengxuan Zhu, Tianrun Ji, Zelong Huang, Xi Xia","doi":"10.1021/acs.est.5c05363","DOIUrl":"https://doi.org/10.1021/acs.est.5c05363","url":null,"abstract":"The ubiquity of pharmaceuticals and personal care products (PPCPs) and pesticides in aquatic environments has raised significant ecological concerns due to their potential to disrupt aquatic ecosystems. This study presents a high-throughput ultraperformance liquid chromatography-tandem mass spectrometry method without sample enrichment to monitor 323 PPCPs and pesticides in the surface water of the Jingmi Water Diversion Canal in Beijing, China. One hundred and three PPCPs and pesticides were detected, with the highest detection frequency observed for antibiotics, which constituted 25.2% of the total detections. Notably, the average concentrations of detected PPCPs and pesticides were significantly higher in the winter (69.0 ng/L) than in the summer (42.1 ng/L). Spatial characterization indicated higher concentrations of PPCPs and pesticides in urban areas compared with suburban areas, with carbendazim, caffeine, atrazine, and diazepam being the most frequently detected compounds. The ecological risk assessment based on risk quotient values identified moderate to high risks for aquatic organisms, particularly in urban areas and during winter. These findings highlight the necessity for improved wastewater treatment technologies and continuous environmental monitoring to protect aquatic ecosystems from the adverse effects of PPCPs and pesticides.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"25 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144154113","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}

引用次数: 0

Promoting Low-Temperature Toluene Oxidation via Pt–O–Fe Interfacial Sites in a Pt/CuO–Fe3O4 Catalyst Pt/ CuO-Fe3O4催化剂中Pt - o - fe界面位促进甲苯低温氧化

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-05-27 DOI: 10.1021/acs.est.5c02048

Meijuan Chen, Lijuan Fu, Dandan Zhu, Yu Huang, Rong Li, Shu He, Suixin Liu, Shun-cheng Lee, Junji Cao

{"title":"Promoting Low-Temperature Toluene Oxidation via Pt–O–Fe Interfacial Sites in a Pt/CuO–Fe3O4 Catalyst","authors":"Meijuan Chen, Lijuan Fu, Dandan Zhu, Yu Huang, Rong Li, Shu He, Suixin Liu, Shun-cheng Lee, Junji Cao","doi":"10.1021/acs.est.5c02048","DOIUrl":"https://doi.org/10.1021/acs.est.5c02048","url":null,"abstract":"Electronic metal-support interaction (EMSI) has been widely explored in the catalytic degradation of volatile organic compounds (VOCs) owing to the formation of special interfacial sites. Herein, the EMSI effect was engineered by constructing the serial Pt catalysts supported on CuO–Fe3O4 bimetal oxide (Pt/CFO). Among them, the 0.5Pt/CFO catalyst with 0.5 wt % Pt loading exhibited an outstanding catalytic activity, with T90 (the temperature of 90% toluene conversion) lowered to 185 °C, and displayed excellent stability and water resistance. Comprehensive physicochemical characterizations revealed that an evident electron transfer occurred via the interface structure (Pt–O–Fe), producing the positively charged Pt (Ptδ+) and abundant Fe2+ species. Notably, the increased electron density around the Fe species weakened the Fe–O bond and thus activated the surface lattice oxygen (Olatt). Further, temperature-programmed desorption experiments and in situ diffuse reflectance infrared Fourier transform spectroscopy results demonstrated that the electron-deficient Ptδ+ was conducive to the adsorption and activation of toluene at low temperature. Consequently, the deep oxidation of toluene was achieved with the participation of Olatt, benefiting from the Ptδ+–O–Fe2+ interfacial sites with synergistic catalysis for toluene adsorption and oxygen activation. This work provides an interesting idea to explore the relationship between the electron transfer effect and highly efficient VOC abatement.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"134 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144154112","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}

引用次数: 0

Hybrid Physical Mechanism and Artificial Intelligence–Based Model for Evaluating Nonpoint Source Pesticide Pollution at a Megacity Scale 特大城市非点源农药污染评价的混合物理机制与人工智能模型

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-05-27 DOI: 10.1021/acs.est.4c14075

Zhao Guo, Qian-Qian Zhang, Ya-Ya Cai, Zi-Yang Wen, Jian-Liang Zhao, Guang-Guo Ying

{"title":"Hybrid Physical Mechanism and Artificial Intelligence–Based Model for Evaluating Nonpoint Source Pesticide Pollution at a Megacity Scale","authors":"Zhao Guo, Qian-Qian Zhang, Ya-Ya Cai, Zi-Yang Wen, Jian-Liang Zhao, Guang-Guo Ying","doi":"10.1021/acs.est.4c14075","DOIUrl":"https://doi.org/10.1021/acs.est.4c14075","url":null,"abstract":"Large-scale nonpoint source (NPS) pesticide pollution is a growing concern in urban areas; however, modeling of such pollution is constrained by challenges in acquiring urban pipeline data and the scarcity of pollutant monitoring data. This study presents a hybrid model comprising a rainfall runoff module based on a modified gated recurrent unit and a pesticide concentration module grounded in physical process equations to assess NPS pesticide pollution in large urban areas, adopting Guangzhou City as a case study. The model parameters were calibrated and validated using monitored runoff volumes and pesticide concentrations, employing a stochastic gradient descent algorithm. The results indicated that the developed model performed well, matching or exceeding the performance of traditional NPS models in small urban areas. NPS pesticide pollution in this area exhibited spatiotemporal characteristics impacted by meteorological conditions. Washoff loads were positively correlated with maximum pesticide concentrations and runoff volumes but not when they were preceded by dry periods. The initial rainfall intensity, rather than the total rainfall volume, affected pesticide washoff amounts. The findings of the study provide insight into urban NPS pesticide pollution and its causes, while the model shows promise for modeling emerging pollutants in any urban area.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"128 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144154277","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}

引用次数: 0

Plastic Biodegradation by Sediment Microbial Populations under Denitrifying Conditions. 反硝化条件下沉积物微生物群落对塑料的生物降解。

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-05-27 DOI: 10.1021/acs.est.4c12187

Xiaoxu Sun,Shuni Wang,Zhiyuan Lin,Zhenyu Chen,Wei Huang,Tianle Kong,Duanyi Huang,Baoqin Li,Haihan Zhang,Weimin Sun

{"title":"Plastic Biodegradation by Sediment Microbial Populations under Denitrifying Conditions.","authors":"Xiaoxu Sun,Shuni Wang,Zhiyuan Lin,Zhenyu Chen,Wei Huang,Tianle Kong,Duanyi Huang,Baoqin Li,Haihan Zhang,Weimin Sun","doi":"10.1021/acs.est.4c12187","DOIUrl":"https://doi.org/10.1021/acs.est.4c12187","url":null,"abstract":"Biodegradation is critical for eliminating plastic contaminants from environments, and understanding its mechanisms under in situ conditions is crucial. The plastic biodegradation process in sediments, a major reservoir of plastic contamination with reduced redox conditions, remains elusive. This study compared the plastisphere communities and metabolic potentials of typical polyethylene (PE) contaminants collected from the Pearl River Estuary to their counterparts in the surrounding sediments. The results revealed a distinct plastisphere community composition, with the consistent enrichment of a group of core plastisphere populations compared to those of the sediments. Functional genes related to both potential aerobic and anaerobic PE biodegradation were encoded by the core plastisphere populations. Microcosm incubations were performed to assess the PE biodegradation potentials under denitrifying conditions. The results demonstrated that the polyethylene (PE) mineralization efficiencies were comparable under aerobic and denitrifying conditions through incubations with 13C-PE. Development of functional groups on PE surfaces and the reduction in molecular weights further supported PE biodegradation under denitrifying conditions. The elevated laccase and lignin peroxidase activities implied their potential contribution to PE depolymerization under denitrifying conditions. Together, the sediment plastisphere microbiome holds the potential for plastic degradation under denitrifying conditions, which should be considered when assessing the fate of plastic contaminants.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"53 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144146201","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}

引用次数: 0

Impact of Organic Carbon on Manganese Release, Colloid Formation, and Aggregation in Surface and Groundwater. 有机碳对地表和地下水中锰释放、胶体形成和聚集的影响

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-05-27 DOI: 10.1021/acs.est.5c01284

Qianqian Li,Céline Guéguen,Debra M Hausladen

{"title":"Impact of Organic Carbon on Manganese Release, Colloid Formation, and Aggregation in Surface and Groundwater.","authors":"Qianqian Li,Céline Guéguen,Debra M Hausladen","doi":"10.1021/acs.est.5c01284","DOIUrl":"https://doi.org/10.1021/acs.est.5c01284","url":null,"abstract":"The interaction of manganese (Mn) oxides with natural organic matter (NOM) can mobilize Mn, impacting groundwater quality. However, the formation of Mn colloids, critical determinants of Mn transport and aggregation, is often overlooked. To investigate Mn behavior and colloid formation upon C amendment, humic acid was reacted with Mn oxide suspensions at different C:Mn molar ratios (C:Mn = 0-15) over 200 h. The addition of organic carbon promoted the formation of highly stabilized and mixed-valence Mn colloids through reductive dissolution and complexation, with \"aqueous\" Mn (<450 nm, C:Mn = 15) release increasing by 56.3% from 0 to 200 h and colloidal Mn increasing by up to 31.9% (3-450 nm, C:Mn = 15, t = 200 h) compared to without carbon addition. Analysis of Mn oxidation state revealed that C-Mn colloids contained Mn in multiple oxidation states, and the percentage of Mn(II,III) relative to total Mn increased with increasing C concentrations. In surface water, the hydrodynamic diameter of both Mn and C-Mn colloids remained stable. In groundwater, C-Mn colloids (C:Mn = 3) remained stable (150 nm) over 30 days, while Mn colloids aggregated into larger particles. Analysis of natural surface and groundwaters identified a substantial fraction of Mn (up to 19.2 and 27.2%, respectively) existing in colloidal phases. These findings shed light on the intricate cycling of Mn among particulate, colloidal, and dissolved phases, which governs Mn fate and transport in the environment.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"51 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144146202","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}

引用次数: 0

Gestation Exposure to Organophosphate Esters: Structure-Dependent Transplacental Transfer Patterns, Mechanisms, and Toxicity. 妊娠期暴露于有机磷酸酯：结构依赖的经胎盘转移模式、机制和毒性。

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-05-26 DOI: 10.1021/acs.est.5c01437

Meiqi Guo,Zhipeng Cheng,Shaohan Zhang,Pingping Wang,Huan Feng,Tao Zhang,Hongkai Zhu,Hongwen Sun,Lei Wang

{"title":"Gestation Exposure to Organophosphate Esters: Structure-Dependent Transplacental Transfer Patterns, Mechanisms, and Toxicity.","authors":"Meiqi Guo,Zhipeng Cheng,Shaohan Zhang,Pingping Wang,Huan Feng,Tao Zhang,Hongkai Zhu,Hongwen Sun,Lei Wang","doi":"10.1021/acs.est.5c01437","DOIUrl":"https://doi.org/10.1021/acs.est.5c01437","url":null,"abstract":"Organophosphate esters (OPEs), characterized by diverse chemical substituents, exhibit varying environmental exposure and toxicity profiles. Therefore, OPEs may have potential for placental transfer and could impact neonatal development. However, the structural-specific transplacental mechanisms and toxicity effects of the OPEs remain poorly understood. Herein, we develop an integrated evaluation system with human biomonitoring, uterine perfusion in pregnant rats, and placental cells. OPEs were frequently observed in maternal and cord whole blood, urine, and amniotic fluid samples (n = 41 sample sets) with median concentrations of 9.47, 9.31, 9.90, and 5.98 ng/mL, respectively. Rat uterine perfusion experiment suggested that chlor-OPEs exhibited relatively higher transplacental efficiency compared to alkyl- and aryl-OPEs. Passive diffusion dominated by lipophilicity (log Kow) and transporters dominated active transport may be involved in the transplacental transportation mechanisms. The results from exposure experiments to placenta BeWo cells indicated that organophosphate triesters (tri-OPEs) (IC50 values of 145 to 1464 μM) exhibited higher toxicity to the corresponding organophosphate diesters (di-OPEs) (IC50 values of 752 to 1794 μM). In addition, chlor-OPEs represented significantly greater cytotoxic potential to placenta cells in comparison to alkyl and aryl-OPEs. More attention should be paid for chlor-OPEs as its higher transplacental and toxicity potential compared to alkyl- and aryl-OPEs.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"33 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144146100","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}

引用次数: 0

Correction to “Facile, Controllable, and Ultrathin NiFe-LDH In Situ Grown on a Ni Foam by Ultrasonic Self-Etching for Highly Efficient Urine Conversion” 对“利用超声自蚀刻技术在镍泡沫上原位生长的易控制超薄NiFe-LDH用于高效尿液转化”的修正

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-05-26 DOI: 10.1021/acs.est.5c06421

Hongfeng Zhao, Yan Zhang, Chaoyue Xie, Jiachen Wang, Tingsheng Zhou, Changhui Zhou, Jinhua Li, Jing Bai, Xinyuan Zhu, Baoxue Zhou

引用次数: 0

Tunable NPK Release from Surface-Esterified Nanocellulose-Based Prills. 表面酯化纳米纤维素颗粒的可调氮磷钾释放。

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-05-26 DOI: 10.1021/acs.est.5c02016

Savannah G Phillips,Sydney Brake,Duber Garces,Patrick M Eckhert,Chaoyi Deng,Jason C White,Maria Soledad Peresin,D Howard Fairbrother

{"title":"Tunable NPK Release from Surface-Esterified Nanocellulose-Based Prills.","authors":"Savannah G Phillips,Sydney Brake,Duber Garces,Patrick M Eckhert,Chaoyi Deng,Jason C White,Maria Soledad Peresin,D Howard Fairbrother","doi":"10.1021/acs.est.5c02016","DOIUrl":"https://doi.org/10.1021/acs.est.5c02016","url":null,"abstract":"Polysaccharides represent an ideal delivery platform for agrochemicals due to their biodegradability, biocompatibility, and abundance. However, hydrophilicity renders native polysaccharides ineffective at controlling the release of water-soluble agrochemicals. To overcome this limitation, we used a solvent-free, vapor-phase modification strategy to generate hydrophobic shells on the surface of nanofibrillated cellulose (CNF) prills and evaluated the effects of these tunable diffusion barriers on fertilizer release behavior. Hydrophobic shells of different thicknesses were created on CNF prills by esterification with acyl chlorides of varying alkyl chain lengths, although esterification did not hinder the inherent biodegradability of the CNFs. Fertilizer release rates were largely invariable to pH and NPK loading but were tunable over 3 orders of magnitude by varying the alkyl chain length and the degree of substitution (i.e., shell thickness). However, NPK release rates did not increase monotonically with increasing shell thickness; for long-chain (6 carbons or longer) esters, increases in shell thickness beyond optimal values increased release rates; SEM revealed that this originated from the introduction of fractures to the prills which act as diffusion channels. This work demonstrates the potential of controlled surface modification to generate a mineralizable and tunable NPK release platform from naturally sourced and sustainable feedstocks.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"33 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144136797","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}

引用次数: 0

Data-Centric Approach for Modeling the Adsorption of Small Gas Molecules on Granular Activated Carbons. 以数据为中心的方法模拟小气体分子在颗粒活性炭上的吸附。

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-05-26 DOI: 10.1021/acs.est.4c12168

Kai Zhang,Huichun Zhang

{"title":"Data-Centric Approach for Modeling the Adsorption of Small Gas Molecules on Granular Activated Carbons.","authors":"Kai Zhang,Huichun Zhang","doi":"10.1021/acs.est.4c12168","DOIUrl":"https://doi.org/10.1021/acs.est.4c12168","url":null,"abstract":"Data-driven models are increasingly employed in gas adsorption studies, optimizing adsorption and elucidating mechanisms. Yet, the importance of high-quality data sets, which is crucial for modeling, is often underexplored. Focusing on small gas molecule adsorption, we showcased novel data-centric methods to improve data set quality for adsorption modeling. First, we for the first time showed that solute descriptors could be used as features for gas molecules to increase data quality by merging smaller data sets into larger ones. This approach enabled the development of satisfactory predictive models for chlorofluorocarbons/hydrochlorofluorocarbons and hydrocarbon gas molecules for the first time. Then, we showed that mostly overlooked experimental measurements (Brunauer-Emmett-Teller, BET adsorption curves) enriched the data set quality by providing more detailed characterizations for adsorbents. New models including these curves for CO2 and CH4 reduced mean-squared errors (MSE) by approximately 18%. We also raised attention to data skewness's impact on model performance. Last, we developed a new method for \"actively\" building suitable data sets for modeling, which aligned with results by the posterior method but without requiring training models in advance. Overall, these new techniques and findings will greatly contribute to future modeling from a data-centric perspective.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"23 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144136712","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}

引用次数: 0

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