Discoveries

See the impact of SIRIUS firsthand! This archive showcases exciting discoveries and major breakthroughs made by research groups worldwide. Explore how the power of SIRIUS is elevating small molecule data analysis across diverse fields, including drug discovery, human health, diagnostics, food industry, monitoring, microbiomics, environmental toxicology, and materials science. For an extensive list of publications by independent research groups using the SIRIUS software framework, click here.

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.

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Two hands full of soil.
Discoveries

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.

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Discoveries

Life at the bottom of the sea: Chemical classes of exometabolites investigated with CANOPUS

Examining seawater presents an enduring challenge due to the complexity of molecules present in trace amounts and their dynamic nature. The lowest ecological region of the sea is inhabited by holobionts, such as sponges, which significantly shape the marine chemical landscape through the release of diverse exometabolites. In addressing the need to capture these molecules immediately after release, a novel underwater device was developed, allowing in situ collection and enrichment without harming organisms. To test the device, researchers investigated exometabolites of sponges in the Mediterranean sea using untargeted mass spectrometry and CANOPUS to understand the chemical class distribution. This approach holds promise for studying endangered species in marine protected areas, assessing seasonal variations in exometabolite production, and monitoring toxins or human impacts in the marine environment.

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Radula complanata
Discoveries

A liverwort under stress: compound classification with CANOPUS to detect metabolic shifts

Liverworts are chemically diverse plants with unique cell organelles responsible for the synthesis and storage of specialized metabolites. Untargeted metabolomics was used to analyze the metabolic stress response of liverworts without isolating individual metabolites. CANOPUS classified the affected compounds, and helped to map the biochemical pathways of the unique stress response of liverworts compared to vascular plants.

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