Discoveries

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

A variety of crispy fried food dishes served together
Discoveries

SIRIUS-ly Toxic: Mapping Unknown Urinary Biomarkers Derived from Deep-Fried Foods

Every day, our bodies encounter millions of foreign chemical compounds. Among the most dangerous are reactive electrophilic species—unstable molecules that can bind to DNA and proteins, potentially leading to chronic diseases. Fortunately, our bodies fight back using glutathione conjugation, excreting these toxins as urinary mercapturic acid conjugates (MACs). But until now, checking urine to see exactly what toxins we’ve been exposed to was incredibly difficult because standard tracking methods miss highly unstable chemical structures. Researchers developed an analytical strategy that dramatically expands our ability to profile the urinary “adductome”. By pairing high-resolution mass spectrometry with customized database construction and automated computational annotation using SIRIUS, this workflow uncovers hundreds of previously untraceable biomarkers.

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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.

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Discoveries

Befriend your competitor: SIRIUS identifies metabolite linked to dual-species biofilm pathogenesis in cystic fibrosis

In the world of microbiology, there’s an ongoing battle between different bacterial species competing for survival and dominance. However, under certain conditions, two species can actually thrive together in a dual-species biofilm. The cooperation between P. aeruginosa and S. aureus in cystic fibrosis leads to increased disease severity. But so far, only little is known about the chemical communication mechanisms between those bacteria. SIRIUS identifies a metabolite that could be related to the increased pathogenesis of this dual-species biofilm in cystic fibrosis.

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Discoveries

It’s in your breath: pediatric asthma diagnosis using SIRIUS compound annotation

Pediatric asthma poses diagnostic challenges due to its variable presentation. Breath analysis could be a game-changer in pediatric allergic asthma management. By identifying unique exhaled metabolic signatures using SESI-MS and SIRIUS, this cutting-edge approach distinguishes children with allergic asthma from healthy controls, aiding accurate diagnosis and personalized treatment.

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