ReviewAnalytical chemistry2024
Online and Offline Prioritization of Chemicals of Interest in Suspect Screening and Non-targeted Screening with High-Resolution Mass Spectrometry.
Review in Analytical chemistry, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
12 citing papers in PubMed.
- A Two-Step Prioritization Framework for the Nontargeted LC-HRMS Analysis of Chemicals of Environmental Concern and Byproducts during Drinking Water Production.ACS measurement science au · 2026Article
- Identification and Characterization of Key Hazardous Substances in Precocious Puberty Children: An Internal Exposure Assessment in China's Typical Coastal Cities.Environment & health (Washington, D.C.) · 2026Article
- A Compound-Centric Framework for Mapping Plant Chemical Space through Structural Scaffolds and Bioactivity Evidence.ACS omega · 2026Article
- Uncovering monitoring gaps and novel persistent and mobile substances (PMs) in groundwater using lyophilisation enrichment and SFC-HRMS smart screening.Analytical and bioanalytical chemistry · 2026Article
- An overview of the impact of PFAS on animals, humans, and the environment using a One Health approach.Environmental science and pollution research international · 2026Review
- Towards Spectral Variation Analysis: A Data Quality Framework for Non-Targeted Methods.Molecules (Basel, Switzerland) · 2025Article
- Molecular Networking in Cosmetic Analysis: A Review of Non-Targeted Profiling for Safety Hazards and Bioactive Compounds.Molecules (Basel, Switzerland) · 2025Review
- Active Learning Improves Ionization Efficiency Predictions and Quantification in Nontargeted LC/HRMS.Analytical chemistry · 2025Article
- Practical Considerations of FDA's CLAP List to Support Testing of Extractables for Pharmaceuticals and Medical Devices.ACS omega · 2025Article
- Prioritization of Unknown LC-HRMS Features Based on Predicted Toxicity Categories.Environmental science & technology · 2025Article
- Machine Learning-based Classification for the Prioritization of Potentially Hazardous Chemicals with Structural Alerts in Nontarget Screening.Environmental science & technology · 2025Article
- Prioritization, Identification, and Quantification of Emerging Contaminants in Recycled Textiles Using Non-Targeted and Suspect Screening Workflows by LC-ESI-HRMS.Analytical chemistry · 2024Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
8 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Recent advances in high-resolution mass spectrometry (HRMS) have enabled the detection of thousands of chemicals from a single sample, while computational methods have improved the identification and quantification of these chemicals in the absence of reference standards typically required in targeted analysis. However, to determine the presence of chemicals of interest that may pose an overall impact on ecological and human health, prioritization strategies must be used to effectively and efficiently highlight chemicals for further investigation. Prioritization can be based on a chemical's physicochemical properties, structure, exposure, and toxicity, in addition to its regulatory status. This Perspective aims to provide a framework for the strategies used for chemical prioritization that can be implemented to facilitate high-quality research and communication of results. These strategies are categorized as either "online" or "offline" prioritization techniques. Online prioritization techniques trigger the isolation and fragmentation of ions from the low-energy mass spectra in real time, with user-defined parameters. Offline prioritization techniques, in contrast, highlight chemicals of interest after the data has been acquired; detected features can be filtered and ranked based on the relative abundance or the predicted structure, toxicity, and concentration imputed from the tandem mass spectrum (MS
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.