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Development of nontarget method based on GC-QTOF-HRMS for analyzing organic pollutants in human serum 认领 引用 被引量：1
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作者 Congcong Yue Chang He +5 位作者 Hailing Li Zhiquan Yuan Guiying Li Shengtao Ma Xin Zhang Taicheng An 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2026年第7期379-386,共8页
Traditional targeted analyses often overlook unknown or emerging contaminants,highlighting the significance of nontarget and suspect screening approaches.A novel and high-sensitivity methodology for nontarget analysis... Traditional targeted analyses often overlook unknown or emerging contaminants,highlighting the significance of nontarget and suspect screening approaches.A novel and high-sensitivity methodology for nontarget analysis of organic pollutants in human serum was newly-developed based on gas chromatography coupled with quadrupole time-of-flight high-resolution mass spectrometry.The extraction protocol employing an acetonitrile-ethyl acetate(9:1,V:V)mixture significantly improved the extraction efficiency while minimizing matrix effect.A hybridized analytical strategy integrating nontarget and suspect screening was developed to achieve comprehensive identification and classification of pollutants,employing the National Institute of Standards and Technology(NIST)20 library and Agilent Technologies Personal Compound Database and Library(PCDL).This approach successfully characterized 273 organic contaminants spanning 12 categories,including polycyclic aromatic hydrocarbons(PAHs)and their derivatives,esters,and phenolic compounds in human serum,with a significant increase in detection specificity compared to conventional workflows.The methodology used serum samples of the workers from coking industry,revealing widespread contamination dominated by PAHs and PAH derivatives.Among the target analytes,three were identified solely by NIST and six solely by PCDL,indicating the complementary benefits of combining these different databases.Notably,this work reported the first confirmed detection of 2-naphthalenamine in human serum.This optimized approach demonstrates enhanced sensitivity and reliability in serum analysis,advancing biomonitoring capabilities and providing a deep understanding of human exposure to environmental pollutants. 展开更多
关键词 Nontarget analysis Biomonitoring method Human serum sample Organic pollutants GC-QTOF-HRMS
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Current status and mechanistic insights into nontarget coronary lesions in patients with diabetes and early abnormal glucose metabolism 认领 引用 被引量：1
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作者 Shi-Qi Liu Dong Wang Cheng-Chun Tang 《World Journal of Diabetes》 SCIE 2025年第9期50-61,共12页
The introduction of drug-eluting stents has significantly reduced the incidence of in-stent restenosis.Despite this,recurrent cardiovascular events related to untreated nontarget lesions(NTLs)are becoming more common ... The introduction of drug-eluting stents has significantly reduced the incidence of in-stent restenosis.Despite this,recurrent cardiovascular events related to untreated nontarget lesions(NTLs)are becoming more common and accounting for more than 50%of all recurrent cardiovascular events.In patients with dia-betes,factors such as prolonged disease duration,poor glycemic control,insulin use,and inadequate lipid management may exacerbate the progression of NTLs and adverse cardiovascular events.Additionally,glycemic fluctuations have been linked to an increased risk of future cardiovascular events in patients with early glucose metabolism abnormalities and acute hyperglycemia.In this review,we explored the clinical and plaque characteristics of patients with diabetes and early glucose metabolism disorders,the percutaneous coronary intervention strategies for NTLs,and their prognostic implications.Furthermore,we investigated the mechanistic links between adverse cardiovascular outcomes and elevated inflammation,oxidative stress,hypercoagulability,and endothelial dysfunction. 展开更多
关键词 Nontarget lesion Nonculprit lesion Diabetes mellitus Glucose metabolism abnormalities Oxidative stress Endothelial dysfunction
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Nontargeted identification of peptides and disinfection byproducts in water 认领 引用 被引量：12
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作者 Yanan Tang Ying Xu +3 位作者 Feng Li Lindsay Jmaiff Steve E.Hrudey Xing-Fang Li 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2016年第4期259-266,共8页
A broad range of organic compounds are known to exist in drinking water sources and serve as precursors of disinfection byproducts（DBPs）.Epidemiological findings of an association of increased risk of bladder cancer... A broad range of organic compounds are known to exist in drinking water sources and serve as precursors of disinfection byproducts（DBPs）.Epidemiological findings of an association of increased risk of bladder cancer with the consumption of chlorinated water has resulted in health concerns about DBPs.Peptides are thought to be an important category of DBP precursors in water.However,little is known about the actual presence of peptides and their DBPs in drinking water because of their high sample complexity and low concentrations.To address this challenge and identify peptides and non-chlorinated/chlorinated peptide DBPs from large sets of organic compounds in water,we developed a novel high throughput analysis strategy,which integrated multiple solid phase extraction（SPE）,high performance liquid chromatography（HPLC）separation,and non-target identification using precursor ion exclusion（PIE）high resolution mass spectrometry（MS）.After MS analysis,structures of candidate compounds,particularly peptides,were obtained by searching against the Human Metabolome Database（HMDB）.Using this strategy,we successfully detected 625 peptides（out of 17,205 putative compounds）and 617 peptides（out of 13,297）respectively in source and finished water samples.The source and finished water samples had 501 peptides and amino acids in common.The remaining 116 peptides and amino acids were unique to the finished water.From a subset of 30 putative compounds for which standards were available,25 were confirmed using HPLC-MS analysis.By analyzing the peptides identified in source and finished water,we successfully confirmed three disinfection reaction pathways that convert peptides into toxic DBPs. 展开更多
关键词 Nontargeted detection Water analysis Mass spectrometry Peptide Disinfection byproducts
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Nontarget screening using passive air and water sampling with a level Ⅱ fugacity model to identify unregulated environmental contaminants 认领 引用 被引量：2
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作者 In-Young Chung Yu-Mi Park +7 位作者 Hyun-Jeoung Lee Hyuk Kim Dong-Hoon Kim Il-Gyu Kim Sang-Min Kim Young-Sun Do Kwang-Seol Seok Jung-Hwan Kwon 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2017年第12期84-91,共8页
It is thought that there are many unregulated anthropogenic chemicals in the environment.For risk assessment of chemicals, it is essential to estimate the predicted environmental concentrations. As an effort of identi... It is thought that there are many unregulated anthropogenic chemicals in the environment.For risk assessment of chemicals, it is essential to estimate the predicted environmental concentrations. As an effort of identifying residual organic contaminants in air and water in Korea, nontarget screening using two-dimensional gas chromatography time-of-flight mass spectrometry（GC × GC-TOFMS） was conducted at 10 sites using polyurethane foam passive air sampler and at 6 sites using polydimethyl siloxane（PDMS） passive water sampler in three different seasons in 2014. More than 600 chemical peaks were identified satisfying the identification criteria in air and water samples, respectively, providing a list for further investigation. Chemical substances with reported national emission rates in2014（n = 149） were also screened for potential existence in the environment using a level Ⅱ fugacity model. Most of chemical substances classified as not detectable were not identified with detection frequency greater than 20% by nontarget screening, indicating that a simple equilibrium model has a strong potential to be used to exclude chemicals that are not likely to remain in the environment after emissions from targeted monitoring. 展开更多
关键词 Nontarget screening GC × GC-TOFMS Passive sampling Pollutant release and transfer register（PRTR） Fugacity model
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HDPairFinder:A data processing platform for hydrogen/deuterium isotopic labeling-based nontargeted analysis of trace-level amino-containing chemicals in environmental water 认领 引用
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作者 Tingting Zhao Kristin Carroll +5 位作者 Caley B.Craven Nicholas J.P.Wawryk Shipei Xing Jian Guo Xing-Fang Li Tao Huan 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2024年第2期583-593,共11页
The combination of hydrogen/deuterium(H/D)formaldehyde-based isotopic methyl labeling with solid-phase extraction and high-performance liquid chromatography–high resolution mass spectrometry(HPLC-HRMS)is a powerful a... The combination of hydrogen/deuterium(H/D)formaldehyde-based isotopic methyl labeling with solid-phase extraction and high-performance liquid chromatography–high resolution mass spectrometry(HPLC-HRMS)is a powerful analytical solution for nontargeted analysis of trace-level amino-containing chemicals in water samples.Given the huge amount of chemical information generated in HPLC-HRMS analysis,identifying all possible H/Dlabeled amino chemicals presents a significant challenge in data processing.To address this,we designed a streamlined data processing pipeline that can automatically extract H/D-labeled amino chemicals from the raw HPLC-HRMS data with high accuracy and efficiency.First,we developed a cross-correlation algorithm to correct the retention time shift resulting from deuterium isotopic effects,which enables reliable pairing of H-and D-labeled peaks.Second,we implemented several bioinformatic solutions to remove false chemical features generated by in-source fragmentation,salt adduction,and natural13C isotopes.Third,we used a data mining strategy to construct the AMINES library that consists of over 38,000 structure-disjointed primary and secondary amines to facilitate putative compound annotation.Finally,we integrated these modules into a freely available R program,HDPairFinder.R.The rationale of each module was justified and its performance tested using experimental H/D-labeled chemical standards and authentic water samples.We further demonstrated the application of HDPairFinder to effectively extract N-containing contaminants,thus enabling the monitoring of changes of primary and secondary N-compounds in authentic water samples.HDPairFinder is a reliable bioinformatic tool for rapid processing of H/D isotopic methyl labeling-based nontargeted analysis of water samples,and will facilitate a better understanding of N-containing chemical compounds in water. 展开更多
关键词 Isotope labeling Nontargeted analysis Reactive N-compounds HPLC-HRMS Source water
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THE USE OF A SHUTTLE PLASMID TO STUDY NONTARGETED MUTAGENESIS AND ITS SEQUENCE SPECIFICITY 认领 引用
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作者 张小山 余应年 陈星若 《Chinese Medical Sciences Journal》 CAS 1995年第1期20-24,共5页
Intact pZ189 DNA was replicated in monkey kidney vero cells which had been pretreated with Nmethyl-N’-nitro-N-nitrosoguanidine (MNNG) . The mutants were selected in E. coli MBM7070 and the mutation frequencies involv... Intact pZ189 DNA was replicated in monkey kidney vero cells which had been pretreated with Nmethyl-N’-nitro-N-nitrosoguanidine (MNNG) . The mutants were selected in E. coli MBM7070 and the mutation frequencies involving mutants with unchanged electrophoretic mobilrty of their plasmid DNA were scored. When compared to the spontaneous mutation frequency. the mutation frequencies were increased by 5.8 and 2.9-fold in cells pretreated with 0. 2 and 2μmol/L MNNG, respectively. The supF genes of these mutants were sequenced. and it was found that the types of base substitution and the sites of frameshifts differed from findings in studies of spontaneous and targeted mutagenesis. The results suggest that nontargeted mutagenesis occurs in mammalian cells and may have a sequence specificity. 展开更多
关键词 nontargeted mutagenesis sequence specificity shuttle plasmids
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Advances in Nontargeted Analysis of Per-and Polyfluoroalkyl Substances Based on High-Resolution Mass Spectrometry 认领 引用 被引量：1
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作者 Xinyu Wang Feng Zhang +3 位作者 Xiaodong Wu Zhengquan Ji Yali Shi Yaqi Cai 《Journal of Analysis and Testing》 EI CSCD 2025年第4期457-481,共25页
The escalating diversity of per-and polyfluoroalkyl substances(PFAS),arising from both intentional synthesis and inadvertent generation and release,has led to increasingly complex environmental PFAS compositions.In re... The escalating diversity of per-and polyfluoroalkyl substances(PFAS),arising from both intentional synthesis and inadvertent generation and release,has led to increasingly complex environmental PFAS compositions.In recent years,unknown PFAS have been frequently identified in the environment.However,the structural diversity and lack of corresponding reference standards pose significant challenges for the detection and identification of PFAS.Traditional targeted screening methods are often inadequate for detecting these compounds,making nontargeted analysis(NTA)using high-resolution mass spectrometry(HRMS)essential for identifying unknown or suspected contaminants.Nevertheless,existing NTA techniques still face limitations in comprehensively characterizing the full spectrum of PFAS in the environment.Continuous optimization and development of sample preparation methods,instrumental analytical techniques,data processing algorithms,and software are gradually expanding the coverage of NTA for diverse PFAS.This review summarizes recent advances in HRMS-based NTA methodologies for PFAS,encompassing sample preparation,separation techniques,HRMS instrument and data acquisition modes,PFAS screening strategies,and NTA data processing approaches.Furthermore,the review discusses the current challenges and prospects of PFAS NTA,such as an in-depth exploration of gas chromatography-HRMS(GC-HRMS)applications in NTA,and the utilization of machine learning(ML)models for efficient processing of complex NTA datasets.Addressing these challenges will significantly enhance the accuracy and efficiency of PFAS identification in the environment,providing a scientific basis for the regulation and control of PFAS in the future. 展开更多
关键词 Per-and polyfluoroalkyl substances High-resolution mass spectrometry Nontargeted analysis Suspect screening Nontarget screening
Nontargeted Toxicological/Chemical Analysis in Complex Mixtures for Risk Assessment and Key Driver Discovery 认领 引用 被引量：1
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作者 Chunzhen Shi Xiaoxi Yang +13 位作者 Jifu Liu Haijiang Tian Jie Gao Yuhao Yan Guotao Peng Hua Qin Meilin Lv Yanna Liu Runzeng Liu Ningbo Geng Zongwei Cai Guangbo Qu Jiping Chen Guibin Jiang 《Environment & Health》 CAS CSCD 2025年第7期701-704,共4页
Exposure to complex environmental mixtures leads to dynamic and evolving exposomes under different environ-mental conditions,presenting significant challenges to humans and other organisms.Therefore,on the demand of r... Exposure to complex environmental mixtures leads to dynamic and evolving exposomes under different environ-mental conditions,presenting significant challenges to humans and other organisms.Therefore,on the demand of risk management of complex mixture exposure,the determination of the overall toxicity and the key components that drive the observed toxic effects is the prerequisite. 展开更多
关键词 risk management key driver discovery nontargeted toxicological analysis exposome chemical analysis environmental conditions complex mixtures risk assessment
Recent Advances in Implementation of Machine Learning for Environmental Nontarget Identification 认领 引用 被引量：2
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作者 Qinyu Bao Nanyang Yu +3 位作者 Qinting Jiang Xuebing Wang Zhaoyu Jiao Si Wei 《Environment & Health》 CAS CSCD 2025年第11期1286-1298,共13页
The continuous emergence of new pollutants poses significant threats to both human health and ecological environments.Nontarget analysis based on mass spectrometry has become prevalent for detecting new pollutants due... The continuous emergence of new pollutants poses significant threats to both human health and ecological environments.Nontarget analysis based on mass spectrometry has become prevalent for detecting new pollutants due to its high throughput capabilities.However,structural elucidation remains a major challenge in nontarget analysis.Here,we review the implementation of machine learning techniques to accelerate nontarget structural elucidation,with particular focus on spectral library matching,structural database retrieval,and de novo structure generation.We investigated the design principles,technical characteristics,and comparative evaluation of these computational approaches.In addition,we show their applications in environmental nontarget analysis for new pollutant identification.Finally,we discuss the challenges of current approaches and the future development trends.This review aims to deepen the understanding of existing computational approaches,promote the application of machine learning techniques in nontarget identification,and facilitate the integration of artificial intelligence with environmental pollutant analysis. 展开更多
关键词 mass spectrometry nontarget identification new pollutants machine learning neural network
Sinapic acid regulated the cardiometabolic and intestinal flora disorders to attenuate the myocardial fibrosis in HFD and STZ-induced diabetic mice 认领 引用
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作者 Chunxiang Huang Keying Wang +8 位作者 Zhizhu Ke Mingyu Zhang Qiuping Huang Chenxi Tong Chuangzhi Yan Zichun Song Jiejing Xu Tieming Jiang Jiale Song 《Food Science and Human Wellness》 SCIE CAS CSCD 2026年第5期2380-2400,共21页
Myocardial fibrosis is a critical stage in the progression of diabetic cardiomyopathy(DCM).Sinapic acid(SA)is a plant phenolic acid compound with antimicrobial,antioxidant,and anti-inflammatory activities.To observe t... Myocardial fibrosis is a critical stage in the progression of diabetic cardiomyopathy(DCM).Sinapic acid(SA)is a plant phenolic acid compound with antimicrobial,antioxidant,and anti-inflammatory activities.To observe the effects of SA intervention on the development of myocardial fibrosis in diabetes mellitus(DM)model mice,we successfully established a DM mouse model via a high-fat diet(HFD)and streptozotocin(STZ)injection.After SA intervention for 4 weeks,we found that SA intervention significantly reduced oxidative damage,lipid metabolism disorders,and inflammatory stimuli.Furthermore,SA may decrease myocardial fibrosis in DM mice by inhibiting the activation of the TGF-β1/Smad pathway,promoting riboflavin,nicotinate,and nicotinamide metabolism,inhibiting arachidonic acid metabolism,and restoring the disruption of the intestinal flora.Our research supports the use of SA as a potential supplementary treatment option in the management of DCM. 展开更多
关键词 Diabetes mellitus Myocardial fibrosis Sinapic acid TGF-β1/Smad pathway Nontargeted metabolomics Intestinal flora
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全氟及多氟烷基物质非靶向识别中液相色谱-高分辨率质谱数据处理方法评价 认领 引用 被引量：1
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作者 张博暄 何钦文 +3 位作者 韩宝苍 马存地 罗竹君 孟祥周 《色谱》 CAS CSCD 北大核心 2026年第4期432-443,共12页
借助非靶向分析技术识别未知全氟及多氟烷基物质(per-and polyfluoroalkyl substances,PFAS)是环境领域的研究热点之一。液相色谱-高分辨率质谱是实施非靶向分析技术的主要手段。质谱数据的采集模式、峰提取算法及解卷积算法均会影响非... 借助非靶向分析技术识别未知全氟及多氟烷基物质(per-and polyfluoroalkyl substances,PFAS)是环境领域的研究热点之一。液相色谱-高分辨率质谱是实施非靶向分析技术的主要手段。质谱数据的采集模式、峰提取算法及解卷积算法均会影响非靶向识别结果,但尚缺乏系统性评估。本研究基于超高效液相色谱-静电场轨道阱高分辨率质谱联用技术,通过基质加标样品,分别对比了两种软件(MS-DIAL和MZmine)的峰提取效果和两类算法(MS2Dec和IonDecon)的解卷积性能,评价了数据依赖性采集(DDA)与数据非依赖性采集(DIA)模式对PFAS非靶向识别结果的影响。结果表明,MS-DIAL的峰提取效果优于MZmine,检出全部34种目标物;针对DIA模式下的质谱数据,MS2Dec算法的解卷积效果优于IonDecon算法。DDA模式下识别结果的真阳性率随目标物浓度升高而提升,且阳性预测值保持在较高水平。相比之下,DIA模式下识别结果的真阳性率为100%,但其阳性预测值会随浓度升高而下降。最后,基于评价结果优化了DDA和DIA模式下的数据处理方法,并应用于3个实际电镀污泥样品检测,共鉴定出10类共计36种PFAS,其主要来源为电镀工艺中铬雾抑制剂的使用。本研究中的质谱数据处理方法可用于复杂环境基质中未知PFAS的识别。 展开更多
关键词 全氟及多氟烷基物质 高分辨率质谱 数据依赖性采集 数据非依赖性采集 峰提取 解卷积 非靶向识别
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Isolating the cDNA fragment inhibiting nontargeted mutagenesis in vero cell by antisense technology 认领 引用 被引量：3
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作者 Wenwei Hu Yingnian Yu +2 位作者 Xingruo Chen Tao Song Haiyang Xie 《Chinese Science Bulletin》 1999年第6期533-537,共5页
Among the expressed sequence tags (ESTs) which were isolated from genetically instable monkey kidney vero cells induced by N-methyI-N’-nitro-N-nitrosoguanidine (MNNG), a fragment 9 was isolated. When the expression o... Among the expressed sequence tags (ESTs) which were isolated from genetically instable monkey kidney vero cells induced by N-methyI-N’-nitro-N-nitrosoguanidine (MNNG), a fragment 9 was isolated. When the expression of fragment 9 was blocked through transcripting antisense RNA, MNNGinduced nontargeted mutation frequency enhanced significantly compared with control ( P 【 0.05). The result showed that the relevant gene of fragment 9 might participate in maintaining cellular genetic stability and be involved in inhibition of nontargeted mutagenesis. 展开更多
关键词 antisense RNA mutation nontargeted genetic instability.
基于16S rRNA测序与非靶向代谢组解析饲喂亚麻籽与裂殖壶藻对牦牛瘤胃微生物群及脂肪酸代谢的影响 认领 引用
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作者 漆政君 王国文 +3 位作者 付长其 舒适 沈秀英 张君 《畜牧兽医学报》 CAS CSCD 北大核心 2026年第3期1435-1457,共23页
旨在通过对牦牛饲喂亚麻籽(Linum usitatissimum)与裂殖壶藻(Schizochytrium),分析其对瘤胃微生物和肉质脂肪酸的影响。本研究选用21头12月龄的雄性健康牦牛,体重在(95.00±5.20)kg,按照试验要求分为3组,每组重复7只,补饲组(S)作为... 旨在通过对牦牛饲喂亚麻籽(Linum usitatissimum)与裂殖壶藻(Schizochytrium),分析其对瘤胃微生物和肉质脂肪酸的影响。本研究选用21头12月龄的雄性健康牦牛,体重在(95.00±5.20)kg,按照试验要求分为3组,每组重复7只,补饲组(S)作为对照组,2组试验组分别饲喂亚麻籽(Y)和裂殖壶藻(L),试验时间为210 d,结合16S rRNA测序和非靶向代谢组,解析其对舍饲牦牛瘤胃微生物群落结构以及差异代谢物的影响。结果显示,饲喂亚麻籽和裂殖壶藻显著影响牦牛生长性能、肌肉脂肪酸组成及瘤胃微生物。两处理组干物质采食量显著降低(P<0.05),但料重比显著下降(P<0.05)。裂殖壶藻组肌肉二十二碳六烯酸(DHA)含量显著提高(0.35%vs补饲组0.04%,P<0.05),n-6-3比值降低(5.42 vs补饲组36.28);亚麻籽组总脂肪酸含量显著增加(1.44 g vs补饲组0.85 g,P<0.05)。瘤胃微生物分析显示,亚麻籽组厚壁菌门丰度显著升高(69%vs补饲组57%,P<0.05),拟杆菌门显著降低(21%vs补饲组27%,P<0.05),裂殖壶藻组普雷沃菌属显著增加(7.5%vs补饲组3.9%,P<0.05)。α多样性显示处理组菌群多样性低于补饲组,β多样性3组之间差异显著。肌肉代谢组分析表明,两处理组下调磷脂类和酰基肉碱代谢(P<0.05),上调脂肪酸衍生物。相关性分析显示瘤胃菌群与肌肉代谢显著关联(如候选菌门与丁二酸代谢正相关,P<0.05)。亚麻籽和裂殖壶藻通过影响瘤胃微生物及肌肉代谢促进牦牛脂质沉积。本研究为高寒地区牦牛舍饲方法提供了理论与技术支撑。 展开更多
关键词 牦牛 瘤胃微生物 亚麻籽 裂殖壶藻 16S rRNA测序 非靶向代谢组学
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DEHP暴露致雌性大鼠粪便代谢组剂量依赖性变化及其与生殖毒性的关联分析 认领 引用
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作者 罗艳 吴花敏 +1 位作者 朱小兰 许少涵 《福建医药杂志》 CAS 2026年第3期55-62,共8页
目的采用非靶向代谢组学技术,探讨邻苯二甲酸二(2-乙基己基)酯[di-(2-ethylhexyl)phthalate,DEHP]对雌性SD大鼠的生殖毒性并分析其潜在的作用机制。方法将SD大鼠随机分为玉米油对照组(A组)及4个DEHP处理组(B、C、D、E组),剂量分别为5、5... 目的采用非靶向代谢组学技术,探讨邻苯二甲酸二(2-乙基己基)酯[di-(2-ethylhexyl)phthalate,DEHP]对雌性SD大鼠的生殖毒性并分析其潜在的作用机制。方法将SD大鼠随机分为玉米油对照组(A组)及4个DEHP处理组(B、C、D、E组),剂量分别为5、50、500和2500 mg/(kg·d)。结合抗苗勒氏管激素(AMH)和卵巢质量指标,采用液相色谱-串联质谱法(LC-MS/MS)技术分析粪便代谢组学特征。结果与A组相比,各DEHP组差异代谢物及富集通路存在剂量依赖性:在正、负离子模式下,B组分别鉴定出32种和8种差异代谢物,富集了胆汁分泌、类固醇激素生物合成等4条通路;C组分别识别出41种和12种差异代谢物,显著富集硫中继系统、ABC转运蛋白通路及胆固醇代谢等4条通路;D组分别检测到38种和14种差异代谢物,富集了蛋白质消化与吸收、ABC转运蛋白及硫中继系统通路;E组分别发现30种和20种差异代谢物,富集了26条通路,包括类固醇激素生物合成、卵巢类固醇生成及促性腺激素释放激素(GnRH)信号通路。结论DEHP暴露显著改变大鼠粪便代谢谱,正离子模式下差异代谢物数量随剂量增加而减少,负离子模式下随剂量增加而增加;京都基因与基因组百科全书(KEGG)通路呈现“低、中剂量靶向集中,高剂量全面紊乱”特征,为揭示DEHP生殖毒性的剂量依赖机制提供了代谢组学证据。 展开更多
关键词 邻苯二甲酸二(2-乙基己基)酯 非靶向代谢组学 SD大鼠 卵巢功能 KEGG通路 毒性机制
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Repeated exposure of fluazinam fungicides affects gene expression profiles yet carries no costs on a nontarget pest 认领 引用
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作者 Shahed Saifullah Aigi Margus +1 位作者 Maaria Kankare Leena Lindström 《Insect Science》 SCIE CAS CSCD 2022年第5期1373-1386,共14页
Fungicides are used to control pathogenic fungi of crop species,but they have also been shown to alter behavioral,life history and fitness related traits of nontarget insects.Here,we tested the fungicide effects on fe... Fungicides are used to control pathogenic fungi of crop species,but they have also been shown to alter behavioral,life history and fitness related traits of nontarget insects.Here,we tested the fungicide effects on feeding behavior,survival and physiology of the nontarget pest insect,the Colorado potato beetle(CPB)(Leptinotarsa decemlineata).Feeding behavior was studied by a choice test of adult beetles,which were allowed to choose between a control and a fungicide(fluazinam)treated potato leaf.Larval survival was recorded after 24 and 72 h exposure to control and fungicide-treated leaves with 2 different concentrations.The adults did not show fungicide avoidance behavior.Similarly,survival of the larvae was not affected by the exposure to fungicides.Finally,to understand the effects of fungicides at the physiological level(gene expression),we tested whether the larval exposure to fungicide alter the expression of 5 metabolic pathway and stress associated genes.Highest concentration and 72-h exposure caused upregulation of 1 cytochrome P450(CYP9Z14v2)and 1 insecticide resistance gene(Ldace1),whereas metabolic detoxification gene(Ugt1)was downregulated.At 24-h exposure,highest concentration caused downregulation of another common detoxification gene(Gs),while both exposure times to lowest concentration caused upregulation of the Hsp70 stress tolerance gene.Despite these overall effects,there was a considerable amount of variation among different families in the gene expression levels.Even though the behavioral effects of the fungicide treatments were minor,the expression level differences of the studied genes indicate changes on the metabolic detoxifications and stress-related pathways. 展开更多
关键词 behavior fluazinam gene expression Leptinotarsa decemlineata metabolic detoxification nontarget animal
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A self-reportable fluorescence lighting-up nanoherbicide with minimizedoff-target hazards 认领 引用 被引量：1
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作者 Yuwei Jin Xue Yuan +6 位作者 Yijun Lu Guopeng Teng Chunhui Zhou Yuexiang Wang Huan Xu Zhengyan Wu Jia Zhang 《Advanced Agrochem》 CAS CSCD 2025年第3期296-306,共11页
Herbicides are the most widely used class of pesticides in modern agriculture,while they are still problematic for their off-target hazards due to volatility,drift,and leaching.Nanoformulations appear to be a promisin... Herbicides are the most widely used class of pesticides in modern agriculture,while they are still problematic for their off-target hazards due to volatility,drift,and leaching.Nanoformulations appear to be a promising alternative to those traditional counterparts as herbicidal delivery systems in presenting equivalent control efficacy and higher biosafety profile,but there is no approach yet to dynamically track the release of herbicidal active ingredients in weeds.To bridge the gap between the visualization of herbicidal efficacy with nanoformulation and the mechanistic understanding of the active ingredient release in vivo,we present a proof-of-concept study on the development of a green nanoformulation of herbicide(nanoherbicide)delivering 2-methyl-4-chlorophenoxyacetic acid(MCPA)based on the co-assembly of MCPA and cationic carbon dot.The release of MCPA can be tracked in vivo via a fluorescence lighting-up strategy,due to the disassembly of the nanoherbicide in weeds and the liberation of carbon dot.Compared to active ingredient,the nanoherbicide exhibits reduced volatilization rate,improved foliar affinity,and retarded leaching effect in the soil,and the hazards on off-target organisms including farming plant,soil enzymes and microbiota are appreciably minimized.Due to the characteristics of carbon dot's fluorescence quenching and lightening as the nanoherbicide forms and disassembles,respectively,the entry,translocation,and disassembly of the nanoherbicide in weeds are recorded with fluorescent microscopy.Additionally,the timing to observe the disassembly state ex vivo and to visualize the early symptoms of weed wilting match,suggesting that the released MCPA retains mechanism of action against weeds.In contrast to other labelled nanoherbicides displaying stable fluorescence,this self-reportable fluorescence lighting-up nanoherbicide provides a viable solution to predict/correlate the herbicidal efficacy with fluorescence more realistically. 展开更多
关键词 Cationic carbon dots MCPA Nanoherbicide Fluorescent tracking Nontarget biosafety
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PFAS高分辨率质谱数据的非靶标识别技术综述 认领 引用
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作者 孟祥周 张博暄 +3 位作者 韩宝苍 朱清禾 杨洁 张敏超 《河南师范大学学报（自然科学版）》 CAS 北大核心 2025年第3期1-11,F0002,共11页
全氟及多氟烷基物质(per-and polyfluoroalkyl substances,PFAS)使用广泛,在环境中难以降解,且具有生物富集性、迁移性和毒性,引发全球关注.PFAS种类繁多,基于高分辨率质谱的非靶标分析是发现环境中未知PFAS的主要方法,而高效识别技术... 全氟及多氟烷基物质(per-and polyfluoroalkyl substances,PFAS)使用广泛,在环境中难以降解,且具有生物富集性、迁移性和毒性,引发全球关注.PFAS种类繁多,基于高分辨率质谱的非靶标分析是发现环境中未知PFAS的主要方法,而高效识别技术是其中的难点.系统梳理了PFAS非靶标识别技术的框架,总结了不同PFAS非靶标识别策略的应用情况与优缺点,比较了不同PFAS非靶标识别开源软件的特点,以期为环境未知PFAS的精准识别、溯源和管控提供科技支撑. 展开更多
关键词 全氟及多氟烷基物质(PFAS) 高分辨率质谱(HRMS) 非靶标识别 疑似筛查 新污染物
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基于非靶向代谢组学技术的忍冬不同部位差异代谢物分析 认领 引用
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作者 张绪鑫 张璐哲 +6 位作者 林树乾 赵增成 孟兆青 董晓弟 曹桂云 贺吉香 王岱杰 《山东科学》 CAS 2025年第6期29-41,共13页
为研究忍冬不同部位的代谢物的差异性,采用基于超高效液相色谱串联质谱技术,对忍冬的茎、叶与花进行非靶向代谢组学研究。在忍冬不同部位样品中共鉴定到正离子模式代谢物773个,负离子模式代谢物572个。叶和花作比较共检测到553个差异代... 为研究忍冬不同部位的代谢物的差异性,采用基于超高效液相色谱串联质谱技术,对忍冬的茎、叶与花进行非靶向代谢组学研究。在忍冬不同部位样品中共鉴定到正离子模式代谢物773个,负离子模式代谢物572个。叶和花作比较共检测到553个差异代谢物;茎和花作比较共检测到471个差异代谢物,主要为酚酸类、氨基酸及其衍生物、黄酮以及异黄酮等化合物,差异代谢物相关的途径主要为苯丙烷生物合成、黄酮和黄酮醇生物合成、嘌呤代谢途径和花青素生物合成途径等。该研究分析了忍冬不同部位的优势化合物及参与的重要代谢途径,对比了茎和叶同药用部位花的差异性,为进一步开发利用忍冬植物资源提供了科学依据。 展开更多
关键词 非靶向代谢组学 忍冬 差异代谢物 代谢通路
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New methods for identification of disinfection byproducts of toxicological relevance: Progress and future directions 认领 引用 被引量：4
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作者 Nicholas J.P.Wawryk Caley B.Craven +1 位作者 Lindsay K.Jmaiff Blackstock Xing-Fang Li 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2021年第1期151-159,共9页
Disinfection byproducts(DBPs)represent a ubiquitous source of chemical exposure in disinfected water.While over 700 DBPs have been identified,the drivers of toxicity remain poorly understood.Additionally,ever evolving... Disinfection byproducts(DBPs)represent a ubiquitous source of chemical exposure in disinfected water.While over 700 DBPs have been identified,the drivers of toxicity remain poorly understood.Additionally,ever evolving water treatment practices have led to a continually growing list of DBPs.Advancement of analytical technologies have enabled the identification of new classes of DBPs and the quantification of these chemically diverse sets of DBPs.Here we summarize advances in new workflows for DBP analysis,including sample preparation,chromatographic separation with mass spectrometry(MS)detection,and data processing.To aid in the selection of techniques for future studies,we discuss necessary considerations for each step in the strategy.This review focuses on how each step of a workflow can be optimized to capture diverse classes of DBPs within a single method.Additionally,we highlight new MS-based approaches that can be powerful for identifying novel DBPs of toxicological relevance.We discuss current challenges and provide perspectives on future research directions with respect to studying new DBPs of toxicological relevance.As analytical technologies continue to advance,new strategies will be increasingly used to analyze complex DBPs produced in different treatment processes with the aim to identify potential drivers of toxicity. 展开更多
关键词 Water disinfection byproducts(DBPs) Emerging contaminants Mass spectrometry Chromatography Nontargeted analysis Toxicity drivers
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Identification of unknown disinfection byproducts in drinking water produced from Taihu Lake source water 认领 引用 被引量：2
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作者 Jiabao Li Haifeng Zhang +3 位作者 Juan Wang Zhiyong Yu Hongyan Li Min Yang 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2022年第3期1-11,共11页
Although disinfection byproducts(DBPs) in drinking water have been suggested as a cancer causing factor, the causative compounds have not yet been clarified. In this study, we used liquid chromatography quadrupole-tim... Although disinfection byproducts(DBPs) in drinking water have been suggested as a cancer causing factor, the causative compounds have not yet been clarified. In this study, we used liquid chromatography quadrupole-time-of-flight spectrometry(LC-QTOF MS) to identify the unknown disinfection byproducts(DBPs) in drinking water produced from Taihu Lake source water, which is known as a convergence point for the anthropogenic pollutants discharged from intensive industrial activities in the surrounding regions. In total, 91 formulas of DBPs were discovered through LC-QTOF MS nontarget screen, 81 of which have not yet been reported. Among the 91 molecules, 56 only contain bromine, 15 only contain chlorine and 20 DBPs have both bromine and chlorine atoms. Finally, five DBPs including 2,4,6-tribromophenol, 2,6-dibromo-4-chlorophenol, 2,6-dichloro-4-bromophenol, 4-bromo-2,6-di-tert-butylphenol and 3,6-dibromocarbazole were confirmed using standards. The former three compounds mainly formed in the predisinfection step(maximum concentration, 0.2-2.6 μg/L), while the latter two formed in the disinfection step(maximum concentration, 18.2-33.6 ng/L). In addition, 19 possible precursors of the discovered DBPs were detected, with the aromatic compounds being a major group. 2,6-di-tert-butylphenol as the precursor of 4-bromo-2,6-di-tert-butylphenol was confirmed with standard, with a concentration of 20.3 μg/L in raw water. The results of this study show that brominated DBPs which are possibly formed from industrial pollutants are relevant DBP species in drinking water produced form Taihu source water, suggesting protection of Taihu Lake source water is important to control the DBP risks. 展开更多
关键词 Source water Disinfection byproducts Brominated disinfection byproducts Nontarget analysis Precursors Source water pollution
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