Author

S. Samanipour

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Sep 2026

LC-HRMS Known- and Unknown-Feature Prioritization Based on Machine-Learning-Predicted Ready Biodegradability

The vast and expanding chemical universe contains hundreds of thousands of substances, yet experimental data on their environmental persistence are available for only a small fraction (<3%). This gap limits our ability to identify persistent organic contaminants. Models have been developed to predict the persistence...

Tobias Hulleman, S. Samanipour, V. Turkina et al. · Analytical Chemistry · 0 citations

Open access Sep 2026

Evaluation of peak alignment performance of commercial and open-source tools for GC×GC–MS based non-targeted screening

Abstract Comprehensive two-dimensional gas chromatography–mass spectrometry (GC × GC–MS) is a powerful tool for analysing complex mixtures, but its wide use is limited by the lack of robust and transparent inter-sample peak alignment workflows. Commercial solutions often rely on proprietary algorithms, while user-frien...

A. Rebryk, Denice van Herwerden, S. Samanipour et al. · Briefings in Bioinformatics · 0 citations

Open access Jul 2026

Understanding and Reporting PFAS Exposure: Wide-Scope Retrospective Suspect Screening of High-Resolution Mass Spectrometry Data from Exposomics Studies

Per- and polyfluoroalkyl substances (PFAS) comprise thousands of persistent and structurally diverse chemicals that contribute to chronic human exposure. Yet, routine biomonitoring targets only a limited set of regulated legacy compounds, underestimating overall exposure. We present a retrospective, wide-scope suspect...

Lapo Renai, Federica Calabró, V. Turkina et al. · Environmental Science and Te... · 0 citations