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Identification of Emerging Organic Pollutants in Aquatic Environments Under the Omics-Based Framework: A Review
Summary
Researchers review omics-based analytical frameworks for discovering emerging organic pollutants in aquatic environments using high-resolution mass spectrometry, covering non-target and suspect screening workflows and discussing how microplastic-associated chemicals and AI-assisted chemometrics are expanding the scope of contaminant identification beyond traditional targeted methods.
Emerging organic pollutants (EOPs) in aquatic environments have attracted increasing attention because many occur at trace levels, undergo transformation during environmental transport, and contribute to poorly resolved mixture risks. Traditional targeted analysis is inherently restricted to predefined compounds, whereas high-resolution mass spectrometry (HRMS)-based full-scan workflows provide broader opportunities for discovering known unknowns and previously unrecognized contaminants. This review critically synthesizes an omics-based analytical framework for aquatic environments, covering sample digitalization, instrumental analysis and acquisition modes, chemical fingerprint/non-target screening, suspect screening, effect-directed analysis, and confidence-based structural identification. Particular emphasis is placed on practical decision points and trade-offs, including dissolved versus particulate-associated analytes, LC-HRMS versus GC-HRMS coverage, hard versus soft ionization, DDA- versus DIA-type acquisition, database dependence, and the persistent difficulty of linking analytical features to toxicological relevance. The review also discusses emerging directions involving artificial intelligence, chemometrics, organometallic contaminants, and microplastic-associated chemicals. By clarifying conceptual boundaries and highlighting current limitations, this article aims to support the development of more critical, transparent, and risk-oriented workflows for the discovery and prioritization of emerging pollutants in aquatic environments.