Andy Deprato, Arundhati Garud, Danila Azzolina, Nicola Murgia, Margie H. Davenport, Padma Kaul, Paige Lacy, Subhabrata Moitra
{"title":"Associations between Vaping during Pregnancy and Perinatal Outcomes: A Systematic Review and Meta-Analysis","authors":"Andy Deprato, Arundhati Garud, Danila Azzolina, Nicola Murgia, Margie H. Davenport, Padma Kaul, Paige Lacy, Subhabrata Moitra","doi":"10.1016/j.jhazmat.2024.137028","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2024.137028","url":null,"abstract":"Despite numerous studies linking prenatal vaping to adverse perinatal outcomes, a systematic assessment for critical comparison remains absent. To investigate these associations, we conducted a systematic search of studies assessing perinatal outcomes in mothers and/or neonates exposed to vaping during pregnancy compared to those in women without prenatal vaping exposure through MEDLINE, EMBASE, Scopus, Web of Science, Cochrane Library, PROSPERO, and Google Scholar until July 5, 2024. We performed inverse-variance random-effects meta-analyses for maternal and neonatal outcomes of 23 studies with a total of 924,376 participants with 7552 reporting vaping-only use during pregnancy. Prenatal vaping was associated with 53% higher odds of an adverse maternal outcome (OR: 1.53; 95% CI: 1.27 to 1.85; I<sup>2</sup> = 80%), particularly with decreased breastfeeding (OR: 0.53; 95% CI: 0.38 to 0.72; I<sup>2</sup> = 45%) and reduced prevalence of adequate prenatal care (OR: 0.69; 95% CI: 0.56 to 0.86; I<sup>2</sup> = 82%). Prenatal vaping was also associated with a similarly 53% higher odds of an adverse neonatal outcome (OR: 1.53; 95% CI: 1.34 to 1.76; I<sup>2</sup> = 45%), such as low birth weight (OR: 1.56; 95% CI: 1.28 to 1.93; I<sup>2</sup>: 15%), preterm birth (OR: 1.49; 955 CI: 1.27 to 1.76; I<sup>2</sup>: 0%), and small for gestational age (OR: 1.48; 955 CI: 1.16 to 1.89; I<sup>2</sup>: 70%). This is the first comprehensive systematic review and meta-analysis demonstrating vaping during pregnancy as a risk factor for increased odds of both maternal and neonatal outcomes and underscores the urgency to address awareness and regulations of vaping and its potential harms to both humans and the environment.<h3>Registration</h3>PROSPERO CRD42023446266.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"34 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142886888","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}
Lane M. Atmore, Inge van der Jagt, Aurélie Boilard, Simone Häberle, Rachel Blevis, Katrien Dierickx, Liz M. Quinlan, David C. Orton, Anne Karin Hufthammer, James H. Barrett, Bastiaan Star
{"title":"The Once and Future Fish: Assessing a Millennium of Atlantic Herring Exploitation Through Mixed-Stock Analysis and Ancient DNA","authors":"Lane M. Atmore, Inge van der Jagt, Aurélie Boilard, Simone Häberle, Rachel Blevis, Katrien Dierickx, Liz M. Quinlan, David C. Orton, Anne Karin Hufthammer, James H. Barrett, Bastiaan Star","doi":"10.1111/gcb.70010","DOIUrl":"https://doi.org/10.1111/gcb.70010","url":null,"abstract":"Small pelagic fish support profitable fisheries and are important for food security around the world. Yet, their sustainable management can be hindered by the indiscriminate impacts of simultaneous exploitation of fish from multiple distinct biological populations over extended periods of time. The quantification of such impacts is greatly facilitated by recently developed molecular tools—including diagnostic single nucleotide polymorphism (SNP) panels for mixed-stock analysis (MSA)—that can accurately detect the population identity of individual fish. However, the biological relevance of such tools over longer periods of time remains unknown. Here, we demonstrate that diagnostic SNP panels designed for contemporary MSA in Atlantic herring have a millennium-long biological relevance and applicability. We assign the population identity of ancient Atlantic herring specimens—obtained through famously profitable historic fisheries—up to 1300 years old from eight archaeological sites across Europe. Analyzing contemporary and ancient whole-genome data, we obtain evidence for the long-term mixed-stock exploitation of Atlantic herring. Despite such mixed-stock exploitation, we exclusively identify autumn-spawning herring amongst these archaeological remains, indicative of a specific biological availability or cultural preference for certain herring ecotypes in the past. Moreover, our results show that herring demographic patterns were relatively stable until the dramatic disruptions and stock collapses during the 20th century. We find small but significant reductions in genetic diversity over time, indicating long-term evolutionary consequences from 20th-century stock declines. The long-term applicability of diagnostic SNP panels underscores their biological relevance and cost-effective application for the genetic monitoring of herring stocks and highlights the utility of ancient DNA to obtain insights in herring ecology and population dynamics.","PeriodicalId":175,"journal":{"name":"Global Change Biology","volume":"240 1","pages":""},"PeriodicalIF":11.6,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142887235","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}
Bingbing Feng, Juan Chen, Chao Wang, Peifang Wang, Guoxiang You, Junkai Lin, Han Gao
{"title":"Removal of ofloxacin and inhibition of antibiotic resistance gene spread during the aerobic biofilm treatment of rural domestic sewage through the micro–nano aeration technology","authors":"Bingbing Feng, Juan Chen, Chao Wang, Peifang Wang, Guoxiang You, Junkai Lin, Han Gao","doi":"10.1016/j.jhazmat.2024.137020","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2024.137020","url":null,"abstract":"Micro–nano aeration (MNA) has great potential for emerging contaminant removal. However, the mechanism of antibiotic removal and antibiotic resistance gene (ARG) spread, and the impact of the different aeration conditions remain unclear. This study investigated the adsorption and biodegradation of ofloxacin (OFL) and the spread of ARGs in aerobic biofilm systems under MNA and conventional aeration (CVA) conditions. Results showed that the MNA increased OFL removal by 17.27%–40.54% and decreased total ARG abundance by 36.37%–54.98%, compared with CVA. MNA-induced biofilm rough morphology, high zeta potential, and reduced extracellular polymeric substance (EPS) secretion enhanced OFL adsorption. High dissolved oxygen and temperature, induced by MNA-enriched aerobic bacteria and their carrying OFL-degrading genes, enhanced OFL biodegradation. MNA inhibited the enrichment of ARG host bacteria, which acquired ARGs possibly via horizontal gene transfer (HGT). Functional profiles involved in the HGT process, including reactive oxygen species production, membrane permeability, mobile genetic elements (MGEs), adenosine triphosphate synthesis, and EPS secretion, were down-regulated by MNA, inhibiting ARG spread. Partial least-squares path modeling revealed that MGEs might be the main factor inhibiting ARG spread. This study provides insights into the mechanisms by which MNA enhances antibiotic removal and inhibits ARG spread in aerobic biofilm systems.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"54 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142886890","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}
Ya Li, Lin Jiang, Chuang Xu, Suhui Wang, Yunyao Qian, Yiqiong Wu, Chenyu Miao, Zhouzhou Dong, Liang Wang
{"title":"Insertional mutagenesis of AIDA or CYP720B1 in the green alga Chlamydomonas reinhardtii confers copper(II) tolerance and increased biomass","authors":"Ya Li, Lin Jiang, Chuang Xu, Suhui Wang, Yunyao Qian, Yiqiong Wu, Chenyu Miao, Zhouzhou Dong, Liang Wang","doi":"10.1016/j.jhazmat.2024.137026","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2024.137026","url":null,"abstract":"The widespread use of copper (Cu) in industrial and agricultural settings leads to the accumulation of excess Cu within aquatic ecosystems, posing a threat to organism health. Microalgal bioremediation has emerged as a popular and promising solution to mitigate the risks. Nevertheless, the genetic underpinnings and engineering tactics involved in heavy metal bioremediation by microalgae remain inadequately elucidated. In this study, two mutants obtained from screening a <em>Chlamydomonas reinhardtii</em> (<em>C. reinhardtii</em>) mutant library were identified as insertional mutagenesis in the <em>AIDA</em> (<em>Cre12.g487450</em>) and <em>CYP720B1</em> (<em>Cre10.g426700</em>) genes. Interestingly, these two mutants exhibited decreased cell size and ciliary length but increased cell growth rates. Under Cu(II) stress, the <em>AIDA</em> and <em>CYP720B1</em> mutants presented dose-dependent tolerance to Cu(II), resulting in increased biomass and improved cellular morphology. Furthermore, the analysis for the antioxidant system suggested that increased Cu(II) tolerance was associated with a low-level response strategy to Cu(II) stress. Transmission electron microscopy images also revealed increased stress-related organelles (starch granules, acidocalcisomes, and plastoglobules) in these two mutants. Considering the excellent Cu(II) tolerance and biomass of these two mutants, our findings provide potential microalgal strains for further genetic modifications and performance mining to improve aquatic Cu(II) bioremediation through biomass enhancement.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"25 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142886928","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":"The potential of rooftop photovoltaics to meet Dutch residential electricity demand under heat transition scenarios","authors":"Xining Yang, Han Wang, Mingming Hu, Zhi Cao, Chunbo Zhang, Xiaoyang Zhong","doi":"10.1016/j.jclepro.2024.144587","DOIUrl":"https://doi.org/10.1016/j.jclepro.2024.144587","url":null,"abstract":"Rooftop photovoltaics (RPVs) are essential for advancing energy transition and achieving climate goals. However, there is limited understanding of their future potential at a granular geographical level and their potential to meet future electricity demand from buildings under different heat transition scenarios. This study presents a comprehensive assessment of the RPV potential at the individual building level in the Netherlands, considering detailed building stock dynamics, renovation strategies, and heat transition scenarios. The results show that RPVs currently generate 3.86 TWh of electricity, with the potential to increase to 19.52 TWh. The total electricity demand of the residential building sector is about 27.26 TWh in 2020, which can increase significantly to 34.19-45.11 TWh by 2050, depending on heat pump penetration and renovation standards. RPVs alone can potentially meet about 43-57% of this electricity demand and save up to 11.32 Mt CO<sub>2</sub>-eq in 2050 (26% of current operational carbon emissions) if public grid electricity could be replaced by RPV electricity. However, the actual contribution of RPVs to the reduction/decarbonization of household electricity is subject to large uncertainties due to both the momentary and seasonal mismatch between RPV supply and electricity demand. Future research could increase the temporal resolution of our model to better explore the real potential of RPVs for targeted electrification and decarbonization in the building sector.","PeriodicalId":349,"journal":{"name":"Journal of Cleaner Production","volume":"1 1","pages":""},"PeriodicalIF":11.1,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142887100","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":"Microcystin-LR induces neuronal damage through mitophagy defects resulted from the downregulated transcription of Scd2 by directly targeting IGF-1R","authors":"Yao Tan, Yujing Huang, Weiyan Chen, Tingyuan Lang, Lingqiao Wang, Xiaoling Chen, Haili Yu, Zhiqun Qiu, Ke Cui, Chengwei Guo, Yiqi Wang, Ziyuan Zhou","doi":"10.1016/j.envpol.2024.125589","DOIUrl":"https://doi.org/10.1016/j.envpol.2024.125589","url":null,"abstract":"Microcystin-LR (MC-LR), a prevalent cyanotoxin present in hazardous cyanobacterial blooms, is recognized as a neurotoxic environmental pollutant that induces brain damage and neurobehavioral deficits. However, the mechanisms underlying MC-LR-induced neurotoxicity remain unclear. This study aims to elucidate the role of mitophagy in MC-LR-induced neurotoxicity both <em>in vitro</em> and <em>in vivo</em>. We found that administration of 10 μg/kg body weight (intraperitoneally) MC-LR impaired learning and memory abilities and induced neuronal damage and apoptosis in the CA1 region of the hippocampus in rats. Exposure to MC-LR (1 μM to 10 μM) resulted in cellular damage and apoptosis in PC-12 and HT22 cells. MC-LR induced mitophagy through the PINK1/Parkin pathway but hindered mitophagy progression by repressing Scd2 transcription in neurons. These inhibitory effects were reversed by Scd2 overexpression. Furthermore, MC-LR was found to repress Scd2 transcription by directly binding to type 1 insulin-like growth factor receptor (IGF-1R) and competitively inhibiting its activation by Insulin-like growth factor 1 (IGF-1). Overexpression of IGF-1R and administration of exogenous IGF-1 mitigated the MC-LR-induced inhibition of Scd2 and the associated mitophagy defects. These findings indicate that IGF-1R is the direct target of MC-LR in neurons. MC-LR initiates mitophagy defects and apoptosis by inhibiting Scd2 transcription through binding to IGF-1R.","PeriodicalId":311,"journal":{"name":"Environmental Pollution","volume":"14 1","pages":""},"PeriodicalIF":8.9,"publicationDate":"2024-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142884420","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Chuchu Chen, Fen Yang, Qiang Wu, Jun Yu, Jingqian Xie, Yin Fang, Tian Lin
{"title":"Ocean as source or sink for legacy persistent organic pollutants","authors":"Chuchu Chen, Fen Yang, Qiang Wu, Jun Yu, Jingqian Xie, Yin Fang, Tian Lin","doi":"10.1016/j.jhazmat.2024.136987","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2024.136987","url":null,"abstract":"With the phase-out of legacy persistent organic pollutants (POPs), the ocean’s role is evolving, potentially acting as both a reservoir and a source. This study investigates the air-sea fluxes of the first banned POPs, such as organochlorine pesticides (OCPs) and polychlorinated biphenyls (PCBs), using literature from Web of Science up to 2023. OCP and PCB concentrations in air and seawater show significant spatiotemporal variability. In air, <em>α</em>-HCH and <em>p,p’</em>-DDE dominate, with concentrations decreasing over time and varying with latitude. In seawater, <em>α</em>-HCH and <em>p,p’</em>-DDTs show higher levels in the Northern Hemisphere and significant temporal decreases. PCB concentrations differ notably between low- and high-chlorinated compounds, with distinct spatial patterns. HCHs exhibit distinct flux patterns, with volatilization in equatorial regions and deposition in higher latitudes. DDTs mainly show deposition trends, except in Southeast Asia where recent increases in volatilization are observed. PCBs generally demonstrate deposition, with regional and seasonal variations. Time significantly impacts fluxes due to changes in human activity and regulations. High-chlorine PCBs are more affected by distance from the sea surface, while temperature increases POPs volatilization.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"54 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2024-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142884484","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}
Muhammad Ubaid Ali, Muhammad Zeeshan Gulzar, Bisma Sattar, Sajeela Sehar, Qumber Abbas, Muhammad Adnan, Jingwei Sun, Zhuanxi Luo, Gongren Hu, Ruilian Yu, Ming Hung Wong
{"title":"Silent threats of lead-based paints in toys and households to children’s health and development","authors":"Muhammad Ubaid Ali, Muhammad Zeeshan Gulzar, Bisma Sattar, Sajeela Sehar, Qumber Abbas, Muhammad Adnan, Jingwei Sun, Zhuanxi Luo, Gongren Hu, Ruilian Yu, Ming Hung Wong","doi":"10.1016/j.jhazmat.2024.136984","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2024.136984","url":null,"abstract":"Lead (Pb), a highly toxic heavy metal, poses a significant global health risk, particularly to children. Widely used in paint manufacturing for its remarkable corrosion-resistance properties Pb exposure has been linked to severe health issues, including reduced neurotransmitter levels, organ damage, potentially leading to death in extreme cases. Children Are particularly vulnerable, with Pb toxicity primarily affecting the brain, reproductive, kidneys, and cardiovascular systems. Approximately 0.6 million children worldwide suffer from cognitive impairments caused by Pb exposure. Despite varying Pb content regulations across countries, research has found that Pb concentration in paints often exceed permissible levels. A 0.01<!-- --> <!-- -->mg/dL blood Pb level (BLL) is considered the threshold level as per the World Health Organization. However, recent studies reveal that significant health effects, including cognitive impairments in children, occur even at BLLs <0.01<!-- --> <!-- -->mg/dL. This review provides critical insights into the global production and use of Pb-based paints, release mechanisms of Pb, exposure pathways, and safety standards. It also highlights the harmful effects of Pb on human health, particularly in children, and its detailed toxicity mechanisms. Finally, this review identifies critical knowledge gaps and offers perspectives for future research.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"12 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2024-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142884485","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}
Jieyi Pan, Yuxin Liu, Qintie Lin, Yirong Deng, Yang Luo, Zirui Zhao, Longyi Wei, Jianwen Huang, Jinguo Wang
{"title":"Reducing the molecular oxygen activation energy barrier by increasing Fe-O bonds to eliminate antibiotics and their resistance genes","authors":"Jieyi Pan, Yuxin Liu, Qintie Lin, Yirong Deng, Yang Luo, Zirui Zhao, Longyi Wei, Jianwen Huang, Jinguo Wang","doi":"10.1016/j.jhazmat.2024.137008","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2024.137008","url":null,"abstract":"Sulfamethoxazole (SMX) and its antibiotic resistance genes (ARGs) are potential threats to public health. Microwave catalytic technology is an efficient environmental remediation technology, and a reasonable design of the catalyst enables the system to achieve an ideal remediation effect under low microwave power. In this study, a microwave catalyst (FeCO-2) that activates molecular oxygen (O<sub>2</sub>) was designed on the basis of rational theoretical organization. Density functional theory (DFT) calculations were used to predict the catalytic performance of FeCO-2 in the microwave field. The mechanism of active substance generation and successful construction of the MW/FeCO-2 catalytic system were verified by experimental studies. The abundance of Fe-O bonds alters the electronic structure of the iron carbide material (Fe@C), adjusts the conduction band potential of the material, reduces the reaction energy barrier, facilitates exciton dissociation under microwave, and facilitate O<sub>2</sub> activation. The application of the MW/FeCO-2 system was verified with secondary effluent from a farm wastewater treatment process: 90.62% SMX and over 86.77% of ARGs were removed within 15<!-- --> <!-- -->min. This study provides a new technique to efficiently simultaneously eliminate antibiotics and their resistance genes. In addition, this study provides ideas for the construction of a microwave catalytic system and explains the mechanism of the microwave catalytic process.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"25 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2024-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142884513","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}
Water ResearchPub Date : 2024-12-25DOI: 10.1016/j.watres.2024.123039
Ye Sun, Baoli Wu, Hongchao Dong, Jiaxuan Zhu, Nanqi Ren, Jun Ma, Shijie You
{"title":"Machine Learning-powered Pseudo-target Screening of Emerging Contaminants in Water: A Case Study on Tetracyclines","authors":"Ye Sun, Baoli Wu, Hongchao Dong, Jiaxuan Zhu, Nanqi Ren, Jun Ma, Shijie You","doi":"10.1016/j.watres.2024.123039","DOIUrl":"https://doi.org/10.1016/j.watres.2024.123039","url":null,"abstract":"Identifying emerging contaminants (ECs) in complex water environment is one of the greatest challenges. Target screening (TS) is limited by the lack of reference standards, whereas non-target screening (NTS) is subject to complex and unreliable data processing. In this study, we reported the machine learning (ML)-powered pseudo-target screening (PTS) for primary identification of ECs with tetracyclines (TCs) serving as model. Based on mass spectrometry (MS) data collected from MassBank database, we performed data purification by removing interferential peaks through optimizing the threshold factor (<em>P</em>=1%), the parameter that reflected intensity of interferential peaks (<em>A</em>) in relative to that of maximum peak (<em>A</em><sub>max</sub>). Then, the well-trained XGBoost model was obtained for correct identification of TCs and Non-TCs with probability approaching 100% by feeding experimental MS data with integrated peak- and test-related features. We for the first time demonstrated the effectiveness of such feature integration strategy for improving accuracy, reliability and anti-interference ability offered by the ML models. The XGBoost model could also identify the TCs that were in the both presence and absence of model training set, suggesting potential generalizability for identifying the unregulated and unknown ECs. Compared with previously reported TS and NTS, our ML-powered PTS framework offered an efficient, simple and reliable alternative to identifying ECs in environmental samples without the need for prior knowledge. This study not only has important implications for dealing with accidental emergency of water pollution relevant to occurrence of ECs, but also represents paradigm shift to develop AI-powered algorithm frameworks for identifying more ECs beyond tested TCs herein.","PeriodicalId":443,"journal":{"name":"Water Research","volume":"25 1","pages":""},"PeriodicalIF":12.8,"publicationDate":"2024-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142884648","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}