Latest posts tagged with #NonTargetAnalysis on Bluesky
👉 Effect-based methods indicate a decline in cytotoxicity along the treatment train from the industrial cluster to the municipal wastewater treatment plant effluent, whereas for other modes of action additional investigation is required.
#wastewatertreatment #industrialpark #nontargetanalysis
6/6
How can we assess the risk of a compound we can't even name?
SIRIUS molecular fingerprints serve as crucial inputs for predictive models, such as #ToxicityPrediction, even when the exact identity of a compound is unknown.
📄 doi.org/10.1016/j.en...
#SIRIUSFacts #SIRIUS6 #NonTargetAnalysis
🔬 Key highlights:
✅ Detection of 7,000+ molecular formulas across samples
✅ Structural-level characterization for 16% of the molecular space
✅ Integration of MS2 spectral data & in silico structure prediction
#NonTargetAnalysis #HRMS #DissolvedOrganicMatter #EnvironmentalChemistry #DOM
