monitoring Archives - Bright Giant

Discoveries

SIRIUS 🤝 BioTransformer: A Dream Team for Unraveling Drug Metabolism

Understanding the metabolic fate of pharmaceutical drugs is a critical component of modern drug discovery and safety testing. Tracking these metabolic changes is notoriously difficult. Identifying the precise structures of drug metabolites within complex mixtures remains a massive analytical bottleneck. To overcome this hurdle, we have integrated BioTransformer in SIRIUS. Researchers have benchmarked this approach using six diverse model drugs and found that it not only bypasses the need for exhaustive manual identification but actively expands our structural coverage of the metabolome.

Franziska Hufsky 2026-08-04 No Comments

Discoveries

Revealing the Hidden Burden of Offshore Discharges with SIRIUS

Offshore produced water discharges introduce over 240 billion liters of complex chemical mixtures into the marine environment annually. In a case study using produced water from North Sea offshore oil platforms, researchers demonstrated that traditional monitoring significantly underestimates the persistence of discharged chemicals. They introduce a novel analytical framework using advanced non-target analysis and computational workflows, including SIRIUS to highlight a significant “hidden burden” of persistent pollutants.

Franziska Hufsky 2026-03-19 No Comments

Discoveries

Reducing PFAS Emissions: Efficacy of Abatement Systems at Fluoropolymer Plants Investigated Using SIRIUS

Fluoropolymer production plants are an obvious source for PFAS emission into our environment. They have invested in abatement systems to curtail the emission of PFAS but their efficacy has not been reported in peer-reviewed literature. A recent study investigates their efficacy and reveals a more complex emission profile than previously understood. In a suspect screening approach using SIRIUS, they detected a homologous series of previously overlooked polymerization byproducts.

Franziska Hufsky 2025-12-18 No Comments

Discoveries

Uncovering Hidden Contaminants in Human Milk: Non-Targeted Biomonitoring with SIRIUS

Human milk is the ideal source of nutrition for infants, but growing concerns exist about the presence of chemical contaminants that can find their way into it. For years, scientists have relied on targeted analysis, a method that can only find what they are already looking for. In this non-targeted approach utilizing SIRIUS, researcher successfully identify common and previously unreported chemical contaminants and gain a more comprehensive understanding of the chemical exposures mothers and infants face.

Franziska Hufsky 2025-10-22 No Comments

Tutorials

How to Screen for Transformation Products with SIRIUS

Detecting transformation products is crucial for environmental monitoring, as these byproducts can be more toxic and persistent than their precursor compounds. This tutorial walks you through using SIRIUS for a non-targeted combined precursor and transformation product screening, from generating a transformation product database to analysing LC-HRMS data in SIRIUS and validating results.

Franziska Hufsky 2025-04-28 2 Comments

Wooden pipe in the forest from which spring water flows

Application Notes

Detecting pharmaceuticals and their transformation products with SIRIUS

Pharmaceutical pollution poses risks to ecosystems and human health, yet traditional annotation methods often miss transformation products—drug breakdown compounds that may be even more persistent. We demonstrate how SIRIUS enhances annotation of pharmaceuticals in Luxembourgish rivers, from precursor drug screening to transformation product screening. Our approach for environmental monitoring is relevant not only for pharmaceuticals but also for pesticides and industrial chemicals, whose degradation products may have significant environmental impacts.

Franziska Hufsky 2025-04-28 1 Comment

Collaborations

Unlocking a Greater Perspective: Mapping the Chemical Space of Biomes Using SIRIUS

Untargeted mass spectrometry is a powerful tool for analyzing the immense chemical complexity of natural environments. However, interpreting such large datasets remains a significant challenge. To overcome this, researchers have developed an innovative approach using SIRIUS that prioritizes chemical profiling over exhaustive identification. This method allows for more effective comparisons of (micro-)biomes, providing deeper insights into biochemical diversity across different environments.

Franziska Hufsky 2025-02-13 No Comments

Assorted liquor bottles in a bar. Plastic-related contaminants in liquor products were even found in glass packaging.

Discoveries

Screening extractables and leachables with SIRIUS: Plastic-related contaminants in liquor products

In a world where we’re becoming increasingly conscious of what we consume, understanding the potential presence of unexpected extractables and leachables in our food and drinks is paramount. Alcoholic beverages are of particular concern due to their increased affinity and extended storage periods. A non-targeted approach to analysis is essential for uncovering both known and unknown contaminants in our drinks. By analysing fragmentation patterns, SIRIUS predicts chemical structures of unknowns to identify unexpected contaminants and ensure safety of our food.

Franziska Hufsky 2024-09-30 No Comments

Discoveries

Long-term storage in biobanks: Identifying unstable metabolites with SIRIUS

Neonatal dried blood spots are not only important for newborn screening but also a powerful source for investigating the potential metabolic etiologies of various diseases using untargeted LC-MS-based metabolomics. So far it is unclear whether the metabolites in those samples remain stable in storage. SIRIUS helps to investigate the stability of metabolites and classes of molecules.

Franziska Hufsky 2023-05-11 No Comments