环境科学与技术最新文献_第6页

Systematic Review of the Microbiological Performance of Household Water Treatment Technologies

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-03-26 DOI: 10.1021/acs.est.4c03494

Gouthami Rao, Emma Wells, Catherine Reynolds, Rebecca Yoo, Erin Kowalsky, Jennifer DeFrance, Karl Linden, Joe Brown

{"title":"Systematic Review of the Microbiological Performance of Household Water Treatment Technologies","authors":"Gouthami Rao, Emma Wells, Catherine Reynolds, Rebecca Yoo, Erin Kowalsky, Jennifer DeFrance, Karl Linden, Joe Brown","doi":"10.1021/acs.est.4c03494","DOIUrl":"https://doi.org/10.1021/acs.est.4c03494","url":null,"abstract":"Household water treatment (HWT) is a prevalent method for improving the safety of drinking-water. We conducted a systematic review of peer-reviewed literature from 1997 to 2021 on microbiological performance of common HWT technologies including porous ceramic filters, carbon block or membrane filtration, granular media filtration, thermal treatment, solar disinfection, UV irradiation, chemical disinfection, and combined coagulation-disinfectant products. We used the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) best practices and searched SCOPUS, Web of Science, PubMed, and Agricola and further consulted an expert working group to add relevant publications reporting microbial performance of HWT (n = 396 peer-reviewed studies). Reported log10 reduction values (LRVs) varied widely across and within technology categories. We summarize microbial performance by technology type; pathogen class (bacteria, virus, protozoa); and study setting (field or laboratory). Combined coagulation-disinfectant products had the highest LRV performance for bacterial (6.3) and viral (5.3) classes, and porous ceramic had the highest LRV for protozoa (3) when n > 3. Findings can inform the selection of candidate HWT options, but factors such as product design, time burden of use, cost, and long-term maintenance requirements are important considerations in technological performance. Microbiological performance is meaningless if the technology is not used consistently, correctly, and sustainably.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"183 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143703134","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 Terminology and Water Restrictions on Consumer Willingness to Pay for Potable Recycled Water in the U.S. 术语和用水限制对美国消费者支付可饮用再生水意愿的影响

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-03-26 DOI: 10.1021/acs.est.4c12023

Megan N. Hopson, Jeffrey D. Mullen, Gregory Colson, Laurie Fowler

{"title":"Impact of Terminology and Water Restrictions on Consumer Willingness to Pay for Potable Recycled Water in the U.S.","authors":"Megan N. Hopson, Jeffrey D. Mullen, Gregory Colson, Laurie Fowler","doi":"10.1021/acs.est.4c12023","DOIUrl":"https://doi.org/10.1021/acs.est.4c12023","url":null,"abstract":"Rapidly growing human populations are increasing the strain on already stressed water resources, prompting many municipalities to consider water recycling. One barrier to the implementation of water recycling projects is the cost, for both the municipality and the consumers. This research uses a consumer choice survey of 1000 individuals in the United States to evaluate consumer willingness to pay for potable recycled water, considering the impact of terminology (“purified water,” “recycled water,” “reused water,” “reclaimed water,” and “treated wastewater”) and future outdoor watering restrictions. Analysis of survey responses calculated consumer willingness to pay using mixed logit models. Results demonstrate the importance of terminology on consumer willingness to pay and the consistency of preference for the term “purified water” across cities in the United States. Consumers were also willing to pay for potable recycled water to avoid or reduce water restrictions, although the magnitude was small. Shifting from the commonly used “recycled water,” a less preferred term, to “purified water” is expected to increase both consumer acceptance and willingness to pay for the exact same product. Our results demonstrate how important terminology can be in public communication and policy discussions in general and in the successful design and promotion of residential water management projects in particular.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"57 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143703343","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

Formation and Decomposition of N-Chloroaldimines in Drinking Water Disinfection: An Overlooked Subclass of Organic Chloramines

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-03-26 DOI: 10.1021/acs.est.4c10905

Yuwei Wu, Yuanxi Huang, Shumin Zhu, Yangtao Wu, Lingjun Bu, Shiqing Zhou, Wenhai Chu

{"title":"Formation and Decomposition of N-Chloroaldimines in Drinking Water Disinfection: An Overlooked Subclass of Organic Chloramines","authors":"Yuwei Wu, Yuanxi Huang, Shumin Zhu, Yangtao Wu, Lingjun Bu, Shiqing Zhou, Wenhai Chu","doi":"10.1021/acs.est.4c10905","DOIUrl":"https://doi.org/10.1021/acs.est.4c10905","url":null,"abstract":"N-chloroaldimines are a crucial subclass of organic chloramines and overlooked intermediates of various disinfection byproducts. Although much effort has been made on organic chloramines in chlorination, great discrepancies exist in occurrence, decomposition kinetics, and molecular-level mechanisms of N-chloroaldimines. Herein, we propose a high-throughput method integrating directional reduction to distinguish organic chloramines from the nontarget-analyzed CHNOCl compounds and identify 86.6% of the CHNOCl compounds as N,N-dichloramines, N-monochloramines, and N-chloroaldimines. N,N-dichloramines show higher instability than N-monochloramines and can decompose to N-chloroaldimines. Furthermore, we quantitatively demonstrate the slower decomposition of N-chloroaldimines (10–6 s–1) than N,N-dichloramines (10–5 s–1) with 1 order of magnitude, and both of them are sensitive to engineering conditions, e.g., pH and residual disinfectants. We find that residual disinfectants can accelerate the decomposition of N-chloroaldimines. Meanwhile, we unravel the significant roles of NH2-linked R groups on the decomposition pathways of N-chloroaldimines through experimental and theoretical perspectives. Alkyl chains linked to NH2 groups lead to only the formation of nitriles in N-chloroaldimine decomposition, whereas carbocycles or benzene rings could result in the formation of aldehydes. These key insights will enable the effective control of N-chloroaldimine-derived disinfection byproducts and future optimization of the disinfection process.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"60 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143713589","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

Current and Future Impacts of Lithium Carbonate from Brines: A Global Regionalized Life Cycle Assessment Model

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-03-26 DOI: 10.1021/acs.est.4c12619

Vanessa Schenker, Stephan Pfister

{"title":"Current and Future Impacts of Lithium Carbonate from Brines: A Global Regionalized Life Cycle Assessment Model","authors":"Vanessa Schenker, Stephan Pfister","doi":"10.1021/acs.est.4c12619","DOIUrl":"https://doi.org/10.1021/acs.est.4c12619","url":null,"abstract":"Lithium (Li) is essential for decarbonization strategies, such as electric vehicles and renewable energy storage, which experiences the largest growth rates among metals required for low-carbon technologies. To meet this demand, the raw materials sector must increase current capacities and develop new capacities at untapped deposits. Understanding life cycle impacts is crucial to avoid severe environmental burden shifts in the future. Although site-specific life cycle inventories exist, they do not allow for a comprehensive global assessment of the Li sector, particularly in capturing technological developments. To address this, our study presents a life cycle inventory model for brines that maintains essential site-specific parameters while providing a global perspective. We define core parameters for site-specific modeling of Li carbonate (Li2CO3) production and develop a systematic approach to addressing data gaps. Our model employs a class-based structure for 30 mapped processes from the literature and quantifies environmental and technical flows. Overall, we cover 25 sites, representing 300 kilotonnes (90%) of current Li2CO3 production from brines and an additional 315 kilotonnes of potential future production. One key finding is that sites using direct Li extraction have 7-fold higher climate change impacts than sites using conventional technologies on average, while water scarcity impacts are doubled on average. The difference is a result of the larger brine mass required to be treated due to lower Li grades. Furthermore, our model allows the implications for Li-ion battery production to be analyzed.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"24 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143703137","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

Subchronic and Acute Toxicity of 6PPD-Quinone to Early Life Stage Rainbow Trout (Oncorhynchus mykiss)

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-03-26 DOI: 10.1021/acs.est.4c10352

Catherine Roberts, Evan Kohlman, Niteesh Jain, Mawuli Amekor, Alper James Alcaraz, Natacha Hogan, Markus Brinkmann, Markus Hecker

{"title":"Subchronic and Acute Toxicity of 6PPD-Quinone to Early Life Stage Rainbow Trout (Oncorhynchus mykiss)","authors":"Catherine Roberts, Evan Kohlman, Niteesh Jain, Mawuli Amekor, Alper James Alcaraz, Natacha Hogan, Markus Brinkmann, Markus Hecker","doi":"10.1021/acs.est.4c10352","DOIUrl":"https://doi.org/10.1021/acs.est.4c10352","url":null,"abstract":"N-(1,3-Dimethylbutyl)-N′-phenyl-p-phenylenediamine-quinone (6PPD-Q) is a derivative of rubber tires which leaches into surface waters when tire particles are swept into roadway runoff. 6PPD-Q has been identified as a potential cause of urban runoff mortality syndrome in coho salmon, and subsequent research has determined a wide variation in toxicity among fishes. While adult rainbow trout are known to be sensitive, there is limited research on the response of early life stages to 6PPD-Q exposure. Given that early life stages of fish are often more sensitive than adults, the aim of these studies was to assess the acute and subchronic toxicity of 6PPD-Q in early life stage rainbow trout. Rainbow trout alevins were exposed from hatch until 28 days post-hatch to time-weighted average 6PPD-Q concentrations ranging from 0.06 to 2.35 μg/L, which determined a 28-day median lethal dose (LC50) of 0.56 μg/L, as well as morphological deformities, including pooling of blood in the caudal fin. A follow-up acute study with exogenously feeding rainbow trout fry revealed a 96-h LC50 of 0.47 μg/L. These studies indicate that early life stage rainbow trout are sensitive to subchronic 6PPD-Q exposure, and underscore the importance of utilizing early life stage studies to determine the most sensitive benchmark concentrations, and their value in determining sublethal effects.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"59 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143713738","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

Trophic Transfer of Metal Nanoparticles in an Aquatic Food Chain Diminishes Their Toxicity Disparities 金属纳米颗粒在水生食物链中的营养转移降低了其毒性差异

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-03-26 DOI: 10.1021/acs.est.4c13148

Xingchen Zhao, Jiefeng Liang, Yiling Li, Carl W. Isaacson, Xuanlin Meng, Yadan Luo, Xiaoxia Zhou, Henner Hollert, Qunfang Zhou, Rutao Liu, Zongwei Cai, Guibin Jiang

{"title":"Trophic Transfer of Metal Nanoparticles in an Aquatic Food Chain Diminishes Their Toxicity Disparities","authors":"Xingchen Zhao, Jiefeng Liang, Yiling Li, Carl W. Isaacson, Xuanlin Meng, Yadan Luo, Xiaoxia Zhou, Henner Hollert, Qunfang Zhou, Rutao Liu, Zongwei Cai, Guibin Jiang","doi":"10.1021/acs.est.4c13148","DOIUrl":"https://doi.org/10.1021/acs.est.4c13148","url":null,"abstract":"Engineered nanoparticles (ENP) threaten aquatic ecosystems as they are increasingly released into the aquatic environment, which is the sink for most contaminants, throughout their life cycle. How the food web responds to ENPs or how they shape the food web remains unclear. Here, we report the environmental behavior and toxicity of four ENPs in an aquatic food chain, focusing on their uptake, depuration, and trophic transfer efficiency. While no bioaccumulation or biomagnification was observed, the properties and biotransformation of the ENPs significantly influenced their uptake and depuration rates in the Eubranchipus vernalis-Oryzias latipes food chain. We also highlight the impact of particle properties and exposure pathways on toxicity, revealing that oxidative stress leads to mitochondrial damage, contributing to cellular dysfunction in various tissues. Sulfidation and surface coating accumulation strongly diminish and converge the ENP toxicity to O. latipes in terms of ENP property disparity. For the first time, these findings suggest that the food chain strongly modulates aquatic toxicity based on the accumulation and transformation of different ENP components, which may shed light on the understanding of the environmental fate of ENPs.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"227 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143703361","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

Three-Dimensional Cultured Human Nasal Epithelial Cell Model for Testing Respiratory Toxicity and Neurotoxicity of Air Pollutants

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-03-26 DOI: 10.1021/acs.est.4c13205

Huan Wang, Ting Xu, Jing Han, Hongchang Zhang, Shuangqing Hu, Sheng Wei, Miao Cao, Yiqun Song, Daqiang Yin

{"title":"Three-Dimensional Cultured Human Nasal Epithelial Cell Model for Testing Respiratory Toxicity and Neurotoxicity of Air Pollutants","authors":"Huan Wang, Ting Xu, Jing Han, Hongchang Zhang, Shuangqing Hu, Sheng Wei, Miao Cao, Yiqun Song, Daqiang Yin","doi":"10.1021/acs.est.4c13205","DOIUrl":"https://doi.org/10.1021/acs.est.4c13205","url":null,"abstract":"Accumulating evidence suggests a strong correlation between air pollution and neurological disorders; however, appropriate models and methodologies are currently lacking. In this study, a human nasal RPMI 2650 cell model based on air–liquid interface culture was discovered to possess olfactory epithelial cells. Two short-chain per- and polyfluoroalkyl substances (PFAS), PFBA and PFHxA, were used to validate the performance of the model. RNA sequencing initially revealed the adverse effects of two PFAS at environmentally relevant concentrations. Their effects on key nasal epithelial cell functions, including barrier protection, solute transport, and neuronal activity, were separately investigated. Both PFBA and PFHxA disrupted membrane integrity and increased cellular transport capacity, as indicated by the upregulation of ABC transporters. Additionally, they inhibited tight junction proteins, including ZO-1, claudin-3, and occludin, while increasing mucin expression and mucus secretion. PFHxA exhibited stronger effects in most assays and uniquely induced a significant upregulation of NOTCH1 expression (p < 0.05), highlighting its potential hazards on olfactory neurons. This study proposed a novel in vitro test model with the matched respiratory epithelial and neuronal end points, which was expected to improve toxicological research and risk assessment of air pollutants.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"183 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143713739","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

Control of Fungal Spores on Surfaces with UV-C Exposure Necessitates Complete Inactivation to Prevent Mycorrhizal Network Establishment

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-03-26 DOI: 10.1021/acs.est.4c12666

Zhe Zhao, Han Fu, Li Ling, Tingyu Li, Avery Brewer, Anca G. Delgado, Paul Westerhoff

{"title":"Control of Fungal Spores on Surfaces with UV-C Exposure Necessitates Complete Inactivation to Prevent Mycorrhizal Network Establishment","authors":"Zhe Zhao, Han Fu, Li Ling, Tingyu Li, Avery Brewer, Anca G. Delgado, Paul Westerhoff","doi":"10.1021/acs.est.4c12666","DOIUrl":"https://doi.org/10.1021/acs.est.4c12666","url":null,"abstract":"Mold infestations on surfaces present significant challenges to public health. Germicidal UV-C irradiation effectively inactivates spores suspended in water, yet information on surface spore mitigation is surprisingly absent. We show the effectiveness of 265–275 nm UV-C light to mitigateAspergillus nigeron nutrient-rich surfaces. UV-C mitigation of surface molds differs from inactivating spores suspended in water due to the unique characteristics of mycelial structures. Complete preinactivation of all viable cells during UV-C exposure is crucial to prevent mycelia formation; otherwise, even a single spore can gradually spread, covering surfaces by producing a progressive mycelial structure. A UV-C dose of 144 mJ/cm2 from 265 nm LEDs achieved complete preinactivation at lower concentrations (100–1000 CFU/plate), while higher concentrations required increased UV-C doses. Intermittent duty cycling of light delivery (10 min ON then 50 min OFF) at 275 nm delivered from side-emitting optical fibers achieved comparable mitigation to continuous irradiation. Insufficient UV-C exposure induced more resistant mycelial structures that shielded live spores beneath. This study highlights complete preinactivation of viable molds, or sustained inhibition by UV-C light, is more effective than UV-C posttreatment. Mycelial alteration triggered by sublethal stress helps spores to persist in unfavorable environments, where microbial control is the goal.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"183 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143713590","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

Diurnal Variation of Electrophilic Organic Compounds in Urban PM2.5 through Nontargeted Analyses: A Focus on Atmospheric Transformation

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-03-25 DOI: 10.1021/acs.est.4c11723

Zhen Cheng, Xinghua Qiu, Xing Jiang, Suzhen Chi, Xiaodi Shi, Tong Zhu

{"title":"Diurnal Variation of Electrophilic Organic Compounds in Urban PM2.5 through Nontargeted Analyses: A Focus on Atmospheric Transformation","authors":"Zhen Cheng, Xinghua Qiu, Xing Jiang, Suzhen Chi, Xiaodi Shi, Tong Zhu","doi":"10.1021/acs.est.4c11723","DOIUrl":"https://doi.org/10.1021/acs.est.4c11723","url":null,"abstract":"Electrophilic compounds belong to a group of critical components of fine particulate matter (PM2.5) with significant health risk, but little is known regarding their occurrence and sources in the atmosphere. In this study, we developed a nontargeted approach to analyze particulate electrophilic compounds in urban Beijing and identified 147 ones with significant diurnal variation, among which oxygenated aromatic compounds (OACs) are the predominant species. The discrepancy in hierarchical clustering analysis of atmospheric transformation markers, e.g., 9-nitroanthracene (9NANT) and citraconic anhydride (CA), and PAHs, e.g., fluoranthene (FLT), suggested a potential secondary formation pathway in the urban atmosphere. The isomeric ratio of acephenanthrylene (ACP) to FLT, and the product-to-precursor ratio of 11H-benzo[a]fluorene-11-one (BaFO) to FLT, further demonstrated the prevailing existence of atmospheric oxidation. The relationship between night-to-day variation and molecular characteristics, particularly the significant negative correlation with oxygen-related features such as the carbon oxidation state, confirmed that multigenerational oxidation processes during daytime predominantly drive diurnal/nocturnal differences. This study achieved a systematic identification of electrophilic compounds and their transformation in the atmosphere, revealing the pivotal role of oxidation on the fate of organic chemicals that resulted in their diurnal variation.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"41 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143695817","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

FluoroMatch IM: An Interactive Software for PFAS Analysis by Ion Mobility Spectrometry

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-03-25 DOI: 10.1021/acs.est.4c13846

Rachel Smolinski, Jeremy P. Koelmel, Paul Stelben, David Weil, David Godri, David Schiessel, Michael Kummer, Sarah M. Stow, Sheher Mohsin, Lauren Royer, Alan McKenzie-Coe, Thomas Lubinsky, Daniel DeBord, Olivier Chevallier, Emma E. Rennie, Krystal J. Godri Pollitt, Carrie McDonough

{"title":"FluoroMatch IM: An Interactive Software for PFAS Analysis by Ion Mobility Spectrometry","authors":"Rachel Smolinski, Jeremy P. Koelmel, Paul Stelben, David Weil, David Godri, David Schiessel, Michael Kummer, Sarah M. Stow, Sheher Mohsin, Lauren Royer, Alan McKenzie-Coe, Thomas Lubinsky, Daniel DeBord, Olivier Chevallier, Emma E. Rennie, Krystal J. Godri Pollitt, Carrie McDonough","doi":"10.1021/acs.est.4c13846","DOIUrl":"https://doi.org/10.1021/acs.est.4c13846","url":null,"abstract":"Per- and polyfluoroalkyl substances (PFASs) are often present in complex mixtures at trace levels in environmental samples, posing difficulties for analytical chemists. Ion mobility offers highly replicable identifiers, enabling the use of community-based libraries for PFAS annotation in nontargeted analysis. Currently, limited software exists to leverage the capabilities of liquid chromatography ion mobility high-resolution mass spectrometry (LC-IM-HRMS) for nontargeted analysis. FluoroMatch IM is a free vendor-neutral open-source tool for rapid annotation of PFASs in LC-IM-HRMS datasets. Annotation algorithms include collision cross-section (CCS) matching, formula prediction, homologous series detection, mass defect filtering, and accurate mass matching with a database of 194 PFAS ions that can be continuously expanded by the community. Results from FluoroMatch IM were compared to a targeted approach with a laboratory-prepared mixture of 63 PFASs and real wastewater samples. A nontarget workflow incorporating FluoroMatch IM revealed additional likely PFASs (n = 16) while confirming most targeted annotations (11/12) in wastewater samples. Validation of the standard mix showed a low false negative rate of 5% and a 5% false positive rate for features included in the CCS library, with a 0% false positive rate for features assigned confident scores. This study demonstrates the promise of FluoroMatch IM for streamlining PFAS analysis workflows.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"93 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143703136","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