iiinova — where your digital self keeps evolving

Reposted by Santosh lamichhane

Yasin El Abiead @yelabiead.bsky.social · 16/04/2026

Where has this molecule been detected before across samples, organisms, body parts, and environments? With StructureMASST, you can explore this directly by entering a molecule name and running a search in your browser. 🔗 structure-masst.gnps2.org 📄 www.nature.com/articles/s41...

structure-masst.gnps2.org

Streamlit

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Pieter Dorrestein @pieterdorrestein.bsky.social · 05/03/2026

Yet another new function of bile acids -and relevance of the microbiome in regulating the efficacy of medications. #microbiome #IBD. Discovered using #metabolomics repository scale analysis. #opendata Thanks to all the collaborators and Vincent for leading it. www.biorxiv.org/content/10.6...

biorxiv.org

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Santosh lamichhane @santoshlamichhane.bsky.social · 13/06/2025

There so much to learn what microbes are doing inside us. Glad to be part of this work, thanks to Pieter and the whole team.

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Reposted by Santosh lamichhane

Pieter Dorrestein @pieterdorrestein.bsky.social · 30/05/2025

It’s so nice that an important paper led by yasin - is out. www.nature.com/articles/s41.... This paper is a key milestone as it is the foundation for data science across data repositories through indexing and metadata harmonization of 1.6 million files (although much more now due to updates). 1/n

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Tomáš Pluskal @pluskal-lab.org · 24/05/2025

This paper represents a great effort by @roman-bushuiev.bsky.social and his brother @anton-bushuiev.bsky.social. The DreaMS foundation model for mass spectra of small molecules now opens lots of avenues for possible downstream applications. It might be a game changer for computational metabolomics.

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Reposted by Santosh lamichhane

Chris Pook @drchrispook.bsky.social · 11/03/2025

I'm looking at a paper in a decent journal that claims to have separated glucose, mannose and fructose on a Waters C18 BEH column. There's no detailed methodology and there's no chromatograms. This seems just impossible. What do we do about this sort of thing? #Metabolomics

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Reposted by Santosh lamichhane

Karsten Suhre @ksuhre.bsky.social · 05/03/2025

Free access to 2,656 metabolites from 9 platforms measured at 56 time points and covering 6 challenges "suffered" by 15 healthy volunteers: The HuMet Repository - Watching human metabolism at work www.sciencedirect.com/science/arti... All data provided in an interactive repository: humet.org

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Pieter Dorrestein @pieterdorrestein.bsky.social · 03/03/2025

We thank all the co-authors - and many others that are not part of the paper - for the wonderful discussion on this topic. The discussion is an important education to the field and needs to be accurately presented - including existing computational solutions to handle.

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Santosh lamichhane @santoshlamichhane.bsky.social · 01/03/2025

Many discoveries will (probably have already) line up due to this crucial data driven strategy. Grateful to @pieterdorrestein.bsky.social and the entire team that i could contribute and be part of this very important data driven reverse #metabolomics workflow led by @vincentlamoureux.bsky.social

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Reposted by Santosh lamichhane

Pieter Dorrestein @pieterdorrestein.bsky.social · 27/02/2025

It’s not every day one gets to publish an article with NASA astronauts. This journey started in 2019 and withe the goal to understand the microbial and chemical make-up of the space station. We had lots of experience with analysis from swabs on earth.

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Petter Brodin @petterbrodin.bsky.social · 26/02/2025

Early in life, secondary bile acids are generated by colonizing microbes, associated with risks of immune-mediated diseases and act as immunomodulatory substances. Great collaborative study now online!

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Reposted by Santosh lamichhane

Pieter Dorrestein @pieterdorrestein.bsky.social · 26/02/2025

This is such nice work, glad we could be part of it. Is shows how microbial bile acid amidates that differs in diabetic infants during their development could lead to immune dysbiosis.

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Santosh lamichhane @santoshlamichhane.bsky.social · 25/02/2025

Check out our new #preprint, a collaborative effort to explore emerging #bile acids (also referred as MCBAs) during early life. Briefly, here we analyzed MCBAs in early life and found distinct age-related trajectories linked to gut #microbiota, #immune modulation & islet #autoimmunity progression.

medrxiv.org

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Reposted by Santosh lamichhane

microbialcmmc.bsky.social @microbialcmmc.bsky.social · 24/02/2025

got microbial metabolites? Add to the public knowledgebase available through GNPS2! cmmc.gnps2.org

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Reposted by Santosh lamichhane

EMN Metabolomics Society @emn-metsoc.bsky.social · 17/02/2025

🚨 Abstract deadline alert! 🚨 Friendly reminder to submit your oral abstract before March 6 – don’t miss the chance to showcase your work at hashtag#MetSoc2025! Registration is now open: lnkd.in/eFZGi4CK #Metabolomics #EMN

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Reposted by Santosh lamichhane

Tomáš Pluskal @pluskal-lab.org · 17/02/2025

We will be hosting the first @mzmine.bsky.social Community Meeting at @iocbprague.bsky.social. Please register if you wish to learn about the latest developments in mzmine. More info: docs.google.com/document/d/1...

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Reposted by Santosh lamichhane

David Michaels @drdavidmichaels.bsky.social · 14/02/2025

Important #PFAS news - Independent experts convened by the WHO's International Agency for Research on Cancer have classified #PFOA as carcinogenic to humans (Group 1) and #PFOS possibly carcinogenic to humans (Group 2B). In the past, manufacturers' mercenary scientists have questioned that evidence.

monographs.iarc.who.int

Volume 135: Perfluorooctanoic acid (PFOA) and perfluorooctanesulfonic acid (PFOS)

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Reposted by Santosh lamichhane

microbialcmmc.bsky.social @microbialcmmc.bsky.social · 07/02/2025

How does metabolomics help agriculture? Human health? A brief overview of this fungal metabolite-Fumonisin B2- shows the importance of this overlap. Check out more at cmmc.gnps2.org Another impactful study of this metabolite: pubs.acs.org/doi/full/10.1021/jf0718906

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Reposted by Santosh lamichhane

mzmine @mzmine.bsky.social · 28/01/2025

New #mzmine release out now! Matching millions of reference spectra against thousands of samples was never faster. Go and test it today. Download: github.com/mzmine/mzmin... youtu.be/AFv55sUn9Lg

youtu.be

New features in mzmine 4.5

YouTube video by mzio GmbH

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Cristina Legido-Quigley @legidoquigley.bsky.social · 17/01/2025

Our latest article "Data sharing restrictions are hampering precision health in the EU" Here is the open acces link: rdcu.be/d6Bgd #precisionmedicine 🧬💊🧪

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Reposted by Santosh lamichhane

Pieter Dorrestein @pieterdorrestein.bsky.social · 17/01/2025

Here the authors used molecular networking to discover PFASs and reanalyze public data sets to show they are observed in data from seven countries. Such a nice reuse of public data - but also alarming as they are seen in data going back to 2005. www.nature.com/articles/s41...

nature.com

Two-layer homolog network approach for PFAS nontarget screening and retrospective data mining - Nature Communications

PFAS are a wide class of ubiquitous chemically persistent environmental pollutants. Here the authors combine nontarget screening with a two-layer network approach to identify large numbers of PFAS fro...

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Reposted by Santosh lamichhane

Nature Microbiology @natmicrobiol.nature.com · 14/01/2025

Could gut bacteria be the reason behind your sugar cravings? 🤤 Check out this new paper by Zhang et al. linking a gut microbe, a free fatty acid receptor, and sugar intake. www.nature.com/articles/s41...

nature.com

Free fatty acid receptor 4 modulates dietary sugar preference via the gut microbiota - Nature Microbiology

Bacteroides vulgatus, a gut bacterium, promotes GLP-1 secretion through its metabolite, pantothenate, inhibiting sugar preference in mice.

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Reposted by Santosh lamichhane

microbialcmmc.bsky.social @microbialcmmc.bsky.social · 07/01/2025

Happy new year to all! We are back again with TWO featured metabolites. Check it out at cmmc.gnps2.org/molecule_month/

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Reposted by Santosh lamichhane

Pieter Dorrestein @pieterdorrestein.bsky.social · 03/12/2024

The CMMC is hosting a reverse metabolomics workshop. The foundation of these papers www.nature.com/articles/s41..., www.cell.com/cell/fulltex... and www.biorxiv.org/content/10.1... - here searched @gnps2.bsky.social only now @metabolights.bsky.social and @metabolomics workbench as well. #metabolome

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Reposted by Santosh lamichhane

David Broadhurst @davidbroadhurst.bsky.social · 02/12/2024

THe #metabolomics starter pack is now up to 75 members. Again, if you would like to be added let me know. Equally if I have put you on the list by mistake let me know. go.bsky.app/J3VPYKm

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