Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating Confidence

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Items 801–900 of 1,007

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4. A One-Health environmental risk assessment of contaminants of emerging concern in London’s waterways throughout the SARS-CoV-2 pandemic
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5. Recent progress in identification of water disinfection byproducts and opportunities for future research
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6. Screening and identification of unknown chemical contaminants in food based on liquid chromatography–high-resolution mass spectrometry and machine learning
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7. Beyond target chemicals: updating the NORMAN prioritisation scheme to support the EU chemicals strategy with semi-quantitative suspect/non-target screening data
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8. Non-target discovery and risk prediction of per- and polyfluoroalkyl substances (PFAS) and transformation products in wastewater treatment systems
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9. PFAS contamination in tap water: Target and suspect screening of zwitterionic, cationic, and anionic species across Canada and beyond
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10. Metabolomics reveals the depletion of intracellular metabolites in HepG2 cells after treatment with gold nanoparticles
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11. A Metabolomic Study of the Variability of the Chemical Composition of Commonly Consumed Coffee Brews
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13. Multi-residue quantification and screening of emerging organic micropollutants in the Belgian Part of the North Sea by use of Speedisk extraction and Q-Orbitrap HRMS
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14. Liquid chromatography-ion mobility-high resolution mass spectrometry for analysis of pollutants in indoor dust: Identification and predictive capabilities
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15. Elucidating degradation mechanisms of florfenicol in soil by stable-isotope assisted nontarget screening
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16. Human Plasma Metabolomics for Biomarker Discovery: Targeting the Molecular Subtypes in Breast Cancer
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18. Heterotrophic enzymatic biotransformations of organic micropollutants in activated sludge
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19. Retrospective non-target analysis to support regulatory water monitoring: from masses of interest to recommendations via in silico workflows
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20. Untargeted metabolomics of purple and orange-fleshed sweet potatoes reveals a large structural diversity of anthocyanins and flavonoids
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21. Screening of legacy and emerging substances in surface water, sediment, biota and groundwater samples collected in the Siverskyi Donets River Basin employing wide-scope target and suspect screening
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23. The Potential of Sewage Sludge to Predict and Evaluate the Human Chemical Exposome
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24. Non-targeted analysis for organic components of microplastic leachates
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25. Efficient workflow for suspect screening analysis to characterize novel and legacy per- and polyfluoroalkyl substances (PFAS) in biosolids
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26. Environmental Fate of Cl-PFPECAs: Predicting the Formation of PFAS Transformation Products in New Jersey Soils
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27. Wide-scope target and suspect screening of emerging contaminants in sewage sludge from Nigerian WWTPs by UPLC-qToF-MS
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28. Prediction of Retention Time and Collision Cross Section (CCS H+ , CCS H– , and CCS Na+ ) of Emerging Contaminants Using Multiple Adaptive Regression Splines
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29. The chemical landscape of high-throughput new approach methodologies for exposure
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30. Suspect screening and total oxidizable precursor (TOP) assay as tools for characterization of per- and polyfluoroalkyl substance (PFAS)-contaminated groundwater and treated landfill leachate
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31. Spatial-temporal occurrence of contaminants of emerging concern in urban rivers in southern Brazil
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32. Simultaneously discovering the fate and biochemical effects of pharmaceuticals through untargeted metabolomics
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33. Emerging and legacy perfluoroalkyl and polyfluoroalkyl substances (PFAS) in surface water around three international airports in China
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34. p-Phenylenediamines and p-phenylenediamine quinone derivatives in rubber consumer products and typical urban dust: Sources, transformation profiles, and health risks
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35. Identification and Prioritization of Emerging Organophosphorus Compounds Beyond Organophosphate Esters in Chinese Estuarine Waters
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36. Transformations of 6PPD and 6PPD-quinone in soil under redox-driven conditions: Kinetics, product identification, and environmental implications
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37. Language model-guided anticipation and discovery of mammalian metabolites
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38. Fate of UV filter Ethylhexyl methoxycinnamate in rat model and human urine: Metabolism, exposure and demographic associations
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39. Evaluation of reverse osmosis drinking water treatment of riverbank filtrate using bioanalytical tools and non-target screening
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40. Bioassay guided analysis coupled with non-target chemical screening in polyethylene plastic shopping bag fragments after exposure to simulated gastric juice of Fish
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41. Nontarget analysis reveals gut microbiome-dependent differences in the fecal PCB metabolite profiles of germ-free and conventional mice
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42. Characterization of water-soluble synthetic polymeric substances in wastewater using LC-HRMS/MS
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43. Role of Multiomics Data to Understand Host–Pathogen Interactions in COVID-19 Pathogenesis
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44. Public LC-Orbitrap Tandem Mass Spectral Library for Metabolite Identification
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45. Non-targeted screening of trace organic contaminants in surface waters by a multi-tool approach based on combinatorial analysis of tandem mass spectra and open access databases
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46. Feasibility of Applying Untargeted Metabolomics with GC-Orbitrap-HRMS and Chemometrics for Authentication of Black Pepper (Piper nigrum L.) and Identification of Geographical and Processing Markers
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47. Comprehensive plasma metabolomic and lipidomic analyses reveal potential biomarkers for heart failure
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48. MultiConditionRT: Predicting liquid chromatography retention time for emerging contaminants for a wide range of eluent compositions and stationary phases
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49. Thermally activated persulfate oxidation of ampicillin: Kinetics, transformation products and ecotoxicity
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50. Demonstrating the Use of Non-targeted Analysis for Identification of Unknown Chemicals in Rapid Response Scenarios
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51. Chemicals of Emerging Concern in Coastal Aquifers: Assessment Along the Groundwater-Seawater Continuum
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52. Interfacial bonding of Co3O4 and oxygen vacancies engineering on ZnO induced efficient peroxymonosulfate activation and pollutants degradation
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53. Characterizing the Areal Extent of PFAS Contamination in Fish Species Downgradient of AFFF Source Zones
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54. Non-target screening of (semi-)volatiles in food-grade polymers by comparison of atmospheric pressure gas chromatography quadrupole time-of-flight and electron ionization mass spectrometry
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55. Catching the elusive persistent and mobile organic compounds: Novel sample preparation and advanced analytical techniques
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56. Non-target and suspected-target screening for potentially hazardous chemicals in food contact materials: investigation of paper straws
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57. A non-targeted high-resolution mass spectrometry approach for the assessment of the geographical origin of durum wheat
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58. Stable Isotope-Assisted Metabolomics for Deciphering Xenobiotic Metabolism in Mammalian Cell Culture
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59. In-Silico-Generated Library for Sensitive Detection of 2-Dimethylaminoethylamine Derivatized FAHFA Lipids Using High-Resolution Tandem Mass Spectrometry
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64. Degradation of acesulfame in UV/monochloramine process: Kinetics, transformation pathways and toxicity assessment
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65. Target and Suspect HRMS Metabolomics for the Determination of Functional Ingredients in 13 Varieties of Olive Leaves and Drupes from Greece
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83. Tracing contaminants of emerging concern and their transformations in the whole treatment process of a municipal wastewater treatment plant using nontarget screening and molecular networking strategies
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84. Trace analysis of multi-class phytohormones in Oryza sativa using different scan modes in high-resolution Orbitrap mass spectrometry: method validation, concentration levels, and screening in multiple accessions
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85. Stable Isotope Labeling-Assisted Metabolite Probing for Emerging Contaminants in Plants
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86. Metabolomics of Ndufs4−/− skeletal muscle: Adaptive mechanisms converge at the ubiquinone-cycle
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87. Removing acesulfame with the peroxone process: Transformation products, pathways and toxicity
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88. Activation of Kappa Opioid Receptor Regulates the Hypothermic Response to Calorie Restriction and Limits Body Weight Loss
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89. Performance of the organic-diffusive gradients in thin-films passive sampler for measurement of target and suspect wastewater contaminants
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90. Persistence of native and bio-derived molecules of dissolved organic matters during simultaneous denitrification and methanogenesis for fresh waste leachate
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91. N8‐Acetylspermidine: A Polyamine Biomarker in Ischemic Cardiomyopathy With Reduced Ejection Fraction
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92. Head, Shoulders, Knees, and Toes: Placement of Wearable Passive Samplers Alters Exposure Profiles Observed
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93. Regeneration of saturated activated carbon by electro-peroxone and ozonation: Fate of micropollutants and their transformation products
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94. Combination of different chromatographic and sampling modes for high-resolution mass spectrometric screening of organic microcontaminants in water
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95. Toxicity and fate of chiral insecticide pyriproxyfen and its metabolites in zebrafish (Danio rerio)
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96. Non-target analysis of organic waste amended agricultural soils: Characterization of added organic pollution
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97. The integration of MS-based metabolomics and multivariate data analysis allows for improved quality assessment of Zingiber officinale Roscoe
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98. Electrochemical Transformations of Perfluoroalkyl Acid (PFAA) Precursors and PFAAs in Landfill Leachates
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99. White rot fungi produce novel tire wear compound metabolites and reveal underappreciated amino acid conjugation pathways
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100. Studying the Parkinson’s disease metabolome and exposome in biological samples through different analytical and cheminformatics approaches: a pilot study
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