Discover how research groups are leveraging the power of SIRIUS to elevate their metabolomics data analysis across various fields, including drug discovery, diagnostics, food industry, environmental toxicology, and materials science. Explore exciting discoveries and find out how our tools can empower you to uncover the next groundbreaking molecule. For an extensive list of discoveries, click here.

SIRIUS is setting new standards in molecular identification, enabling the elucidation of previously uncharted compounds, and making a valuable contribution to both science and industry. Our commitment is to continue improving SIRIUS and shaping the future of metabolomics research by initiating new research projects to further this mission.

Discoveries

Thawing permafrost: Another step towards assessing the consequences

Thawing permafrost, caused by climate change, releases stored carbon into the atmosphere, accelerating global warming. The enzyme latch hypothesis suggests that low-oxygen conditions in wetlands slow down enzymatic polyphenol degradation and carbon release. But are oxygen-dependent phenol oxidases really the only enzymes that microbial communities have in their arsenal? Or should we perhaps take a closer (metatranscriptomic and metabolomic) look at the microbially catalysed carbon cycle?

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Ketamine’s potential for treating neurological diseases such as depression, PTSD, and chronic pain has sparked significant interest within the medical and scientific communities. (Photo by Robina Weermeijer on Unsplash.)
Discoveries

Ketamine distribution in the brain: understanding drug metabolism with SIRIUS

Ketamine is known for its dual role as an anesthetic and an emerging antidepressant. Despite its long-standing clinical use, the metabolic pathways and pharmacokinetics of ketamine remain poorly understood. A study of ketamine metabolism in the pig brain using SIRIUS provides valuable insights into the distribution of ketamine and its metabolites in different areas of the brain.

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Discoveries

Quality control using SIRIUS: nutrient profiles of Spirulina and co

Microalgae, such as Spirulina, are promising sources of sustainable nutrition with rich nutrient profiles. Ensuring consistent quality of microalgae as dietary supplements requires a quality control method reporting about their chemical composition. Mass spectrometry-based metabolomics coupled with SIRIUS helps identifying primary and secondary metabolites with potential health benefits, including free fatty acids, polar lipids, and pigments.

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Microbial breakdown, facilitated by microorganisms like bacteria and fungi, plays a pivotal role in decomposing organic matter. (Image by Thomas Breher on Pixabay)
Discoveries

SIRIUS on the body farm: Investigating microbial decomposers

Microbial decomposers break down human remains, recycling nutrients and influencing ecosystem dynamics. Is there a universal microbial decomposer network that assembles in response to mammalian remains? How does the network and the cadaver-derived nutrient pool change during the decomposition process and can this microbial community change be used for predicting time since death for forensic purposes?

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Current wastewater treatment plants often struggle to effectively remove antibiotics and their transformation products.
Discoveries

Biotransformation of antibiotics in wastewater: A fungal solution investigated with SIRIUS

Antibiotics are crucial for fighting bacterial infections, but the rise of antibiotic resistance poses a serious threat to public health. Beyond healthcare, the presence of antibiotic residues in wastewater exacerbates the problem. Conventional treatment methods often fall short in adequately removing these compounds, perpetuating resistance. Biological processes, such as biotransformation by fungi, have emerged as promising alternatives. Researchers investigated the potential of fungi to transform antibiotics, using SIRIUS and CSI:FingerID to identify degradation products.

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A forest bathed in sunlight. Lignin is essential for stability of wood.
Discoveries

Adding value to by-products: Unraveling the complex structure of lignin with SIRIUS

Despite being one of Earth’s most abundant polymeric organic compounds, lignin is often considered a lower-value byproduct in industrial processes. Converting lignin into valuable chemicals or biomaterials requires a thorough structural characterisation of depolymerised products. This non-targeted analysis method involving 2D liquid chromatography and high-resolution tandem mass spectrometry uses SIRIUS in versatile ways to unravel the complex structures of depolymerized lignin.

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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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Discoveries

Hydrate your skin with “biotics”: Understanding the impact of pre/postbiotics on skin health

Our skin, beyond being a physical barrier, hosts a diverse community of microorganisms known as the skin microbiota. “Biotics” have gained attention for their potential to enhance the skin’s health, though their exact mode of action is still unclear. MS-based metabolomics has emerged as a powerful tool to characterize the chemical composition of the skin surface and correlate it with microbial communities. Using CSI:FingerID, researchers identified changes in the skin metabolome that are more pronounced than changes in the microbial composition, suggesting that even subtle shifts in microbial abundance can lead to significant effects on the skin.

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Discoveries

Potential risk of impurities in pesticides: Elucidating structurally related impurities using ZODIAC

Thiacloprid is a first-generation, widely used, neonicotinoid insecticide. Its persistence in the environment and potential adverse effects on human health have raised significant concerns. Elucidating the impurity profile of pesticides is crucial for assessing their environmental impact and potential risks, and setting acceptable limits for impurities. Using enhanced molecular formula identification with ZODIAC, researchers demonstrate an approach for identifying structurally related impurities in pesticides.

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Projects

Optimised software infrastructure for machine learning

This project aims to develop a more efficient and powerful backend for our SaaS solutions, capable of processing millions of requests daily to enable the automated analysis of small molecules. The backend will ensure fair scheduling between requests from different users, highly efficient distribution of requests, robust logging and minimal idle time to conserve energy. This will further strengthen our position as an innovative software provider in mass spectrometry analysis.

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