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AquOmixLab

@aquomixlab.bsky.social
405 followers 484 following 22 posts

Aquatic metabolomics and mass spectrometry. Natural & synthetic compounds in water. At Athens Water (EYDAP SA). Views are our own. www.aquomixlab.com #teammassspec

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Daniel Petras @daniel-petras.bsky.social · 17/03/2026
Our new paper on the presence of xenobiotics in marine dissolved organic matter just come out. Thanks to Jarmo Kalinski and our awesome collaborators, we were able to reanalyze more than 20 public LC-MS/MS datasets from seawater and ask how many anthropogenic compounds we can detect. rdcu.be/e8q6C
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Tri Kaloudis @trikaloudis.bsky.social · 02/02/2026
Great opportunity to work with Hanna Mazur-Marzec's group at the University of Gdansk.👇 Position for an Associate Professor in the research and teaching staff group at the #Phycology Laboratory, Department of Marine #Biology and #Biotechnology. More info: euraxess.ec.europa.eu/jobs/403757
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Kermit Murray @kkmurray.bsky.social · 29/01/2026
(BioRxiv All) Community Curation of Microbial Metabolites Enables Biological Insights of Metabolomics Data: Microbial metabolites play a critical role in regulating ecosystems, including the human body and its microbiota. However, understanding the physiologically relevant… #BioRxiv #MassSpecRSS
dlvr.it
Community Curation of Microbial Metabolites Enables Biological Insights of Metabolomics Data
Microbial metabolites play a critical role in regulating ecosystems, including the human body and its microbiota. However, understanding the physiologically relevant role of these molecules, especially through liquid chromatography tandem mass spectrometry (LC-MS/MS)-based untargeted metabolomics, poses significant challenges and often requires manual parsing of a large amount of literature, databases, and webpages. To address this gap, we established the Collaborative Microbial Metabolite Center knowledgebase (CMMC-KB), a platform that fosters collaborative efforts within the scientific community to curate knowledge about microbial metabolites. The CMMC-KB aims to collect comprehensive information about microbial molecules originating from microbial biosynthesis, drug metabolism, exposure-related molecules, food, host-derived molecules, and, whenever available, their known activities. Molecules from other sources, including host-produced, dietary, and pharmaceutical compounds, are also included. By enabling direct integration of this knowledgebase with downstream analytical tools, including molecular networking, we can deepen insights into microbiota and their metabolites, ultimately advancing our understanding of microbial ecosystems.
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bioRxiv Bioinfo @biorxiv-bioinfo.bsky.social · 29/01/2026
Community Curation of Microbial Metabolites Enables Biological Insights of Metabolomics Data www.biorxiv.org/content/10.64898/20…
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Pieter Dorrestein @pieterdorrestein.bsky.social · 07/12/2025
This is an important paper to read for people that are trying to understand metabolomics data. Ions detected (features) are not molecules and molecules will generate many ion forms. Be aware of MS ion forms - understand and leverage them. Dark metabolome has a lot of discovery potential.
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SETAC @setac.bsky.social · 21/11/2025
The abstract submission deadline for #SETACMaastricht is around the corner! Submit your abstract by 26 November to showcase your research live in Maastricht next May and connect with environmental experts from around the world. 🌍 Don't miss the deadline and submit today! 👉https://lnkd.in/ec-V3n5j
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Functional Metabolomics Lab @func-metabo-lab.bsky.social · 26/10/2025
We are super excited that our new paper on microfluidic-based LC-MS/MS fractionation in combination with bioluminescence bioreporters readouts, for compound-resolved bioactivity metabolomics, was just published: pubs.acs.org/doi/10.1021/...
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SETAC @setac.bsky.social · 17/10/2025
📢 #Abstract submission for #SETACMaastricht is open! Join us in May and share your latest #research with a vibrant community of #environmental scientists and professionals. 🌿🧪 Submit your abstract by 26 November and take part in shaping a bold scientific programme! 🔗 lnkd.in/e9rXdwdQhttp...
setac.org
Call for Abstracts: Share Your Science at SETAC Maastricht
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Tri Kaloudis @trikaloudis.bsky.social · 14/10/2025
Abstract submission is now open (till 26 November). Join us in an exciting #HABs Session #SETACMaastricht 👇 Session description: setac.secure-platform.com/meetings/gal... #SETAC #SETACEurope #SETAC2026 @setac.bsky.social @setac-glb.bsky.social
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AquOmixLab @aquomixlab.bsky.social · 11/10/2025
A week with Judita Koreiviene, Jurate Karosiene and their Algology (Phycology) lab at the Natural Research Center in #Vilnius. We had fun setting up the HPLC method for #microcystins and organizing an HPLC seminar. A new collaboration has started and exciting results are coming soon....
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AquOmixLab @aquomixlab.bsky.social · 07/10/2025
Last week we had the pleasure to host Constantina Varnava, PhD candidate of Iro Tsipa's group at the University of #Cyprus. We had fun analyzing MS datasets for #microbial #metabolites.
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Tri Kaloudis @trikaloudis.bsky.social · 04/10/2025
The #IFHAB Workshop 16-17 October at Hamilton #Ontario. #Freshwater #HABs. Still time to register. www.ifhabworkshop.com
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Cyanotrans @cyanotrans.bsky.social · 01/10/2025
Impact of Salinity on Cell Surface Chemistry of Cyanobacteria From Freshwater, Marine and Alkaline Environments: A Hidden Phosphorus Engine enviromicro-journals.onlinelibrary.wiley.com/doi/10.1111/...
enviromicro-journals.onlinelibrary.wiley.com
Impact of Salinity on Cell Surface Chemistry of Cyanobacteria From Freshwater, Marine and Alkaline Environments: A Hidden Phosphorus Engine
The study examines the impact of salinity on surface properties of freshwater Synechocystis sp. PCC6803, marine Synechococcus sp. PCC8806 and alkaliphilic Spirulina platensis. The differences in memb...
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tpetzoldt.bsky.social @tpetzoldt.bsky.social · 01/10/2025
Huge congrats to Sylvia Bonilla 🏆 on winning the Kilham Memorial Lecture Award from SIL! Her vital work on toxic cyanobacteria across Latin America is attracting high interest from researchers across Europe and worldwide. 🔬🌍 @cyanoaction.bsky.social @ictc13.bsky.social
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Tri Kaloudis @trikaloudis.bsky.social · 26/09/2025
🧪📣 Save the date for SETAC Europe 2016 @setac.bsky.social #SETACMaastricht ! Our Session title: "Integrating #Genomics, #Metabolomics, and Control Strategies to Address Harmful Algal and #Cyanobacterial Blooms", Chaired by Petra Visser, Dail Laughinghouse, @anastasiahiskia.bsky.social.
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AquOmixLab @aquomixlab.bsky.social · 26/09/2025
Save the date for an exciting #HABs Session at #SETACMaastricht 👇
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Tri Kaloudis @trikaloudis.bsky.social · 20/08/2025
Brilliant! 50 years after reverse spectral matching in GC-MS, a refined reverse search strategy to improve annotation rates. By @shipei-xing.bsky.social @vincentlamoureux.bsky.social Haoqi N. Zhao @yelabiead.bsky.social @mingxunwang.bsky.social @pieterdorrestein.bsky.social doi.org/10.1021/acs....
doi.org
Reverse Spectral Search Reimagined: A Simple but Overlooked Solution for Chimeric Spectral Annotation
The exponential growth of untargeted metabolomics data, now reaching billions of mass spectra in public repositories, benefits from reannotation strategies for data reuse. While tandem mass spectromet...
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Tri Kaloudis @trikaloudis.bsky.social · 18/08/2025
Great work by @helenamrusso.bsky.social and Wilhan Nunes on the CMMC @microbialcmmc.bsky.social analysis dashboard in @gnps2.bsky.social . It is very exciting to explore results in new ways ! #teammassspec
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Daniel Petras @daniel-petras.bsky.social · 27/07/2025
Implementing the MCheM setup is pretty easy, and all reagents and hardware components are commercially available and relatively cheap. MCheM data analysis is supported in @mzmine.bsky.social @gnps2.bsky.social and SIRIUS (@brightgiant.bsky.social) and free for academic researchers.
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Daniel Petras @daniel-petras.bsky.social · 27/07/2025
Thanks so much to everybody who made this interdisciplinary project possible. And epically the editor and the three reviewers at @natcomms.nature.com for their throughout positive feedback.
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Daniel Petras @daniel-petras.bsky.social · 27/07/2025
New paper from the group. Together with Chambers Hughes, Giovanni Vitale and our amazing collaborators, we developed a multiplexed chemical metabolomics workflow to assign functional groups in non-targeted LC-MS/MS data: www.nature.com/articles/s41... Behind the paper story: go.nature.com/45ljV4d
nature.com
Enhancing tandem mass spectrometry-based metabolite annotation with online chemical labeling - Nature Communications
To improve annotation in non-targeted metabolomics studies, authors develop a Multiplexed Chemical Metabolomics (MCheM) platform, combining post-column derivatization with integrated data processing. ...
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HUMAN Doctoral Network @human-dn.bsky.social · 18/07/2025
#WeekendRead DreaMS — a self-supervised transformer model trained on 700M+ unannotated MS/MS spectra. It learns rich molecular representations directly from raw spectral data. Curious? 🔗bit.ly/43BDjYV #metabolomics #AI #machinelearning #deeplearning #annotation
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Bavarian Center for Biomolecular Mass Spectrometry @baybioms.bsky.social · 22/07/2025
🧵(4/6) 🌟 There will be additional talks by our #local "#heroes" in the #Bavarian #TeamMassSpec community! A great mixture between all the pillars of our team, #Proteomics, #Metabolomics, #Bioinformatics, and applied #MassSpec techniques for a vast diversity of biological questions.
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asofiahcosta.bsky.social @asofiahcosta.bsky.social · 22/07/2025
Just out: Latest selection of novel methods for #metabolomics and #lipidomics biomed.news/bims-metlip/... A collaboration with @biomednews.bsky.social
media.tenor.com
jerry from tom and jerry is reading a book while laying on a lounge chair
ALT: jerry from tom and jerry is reading a book while laying on a lounge chair
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UMR CARRTEL @umrcarrtel.bsky.social · 23/07/2025
Our new paper in Molecular Ecology: Omics to Study and Manage Aquatic Environments: A Snapshot From the AquaEcOmics Meeting (Evian-les-Bains, 2025). onlinelibrary.wiley.com/doi/10.1111/... #omics #water #ecology #metabarcoding #metagenomics #metabolomics #biodiversity
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unitsaq.bsky.social @unitsaq.bsky.social · 24/07/2025
Distilled rule of thumb for optimal Cosine cutoffs at various n matching MS2 fragments in #metabolomics ID: Cosine > 0.90 - 0.05*MMP Aligns well with ~80% at 3 matched fragments I learned before. From Fig4a here www.nature.com/articles/s41...
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Kermit Murray @kkmurray.bsky.social · 21/06/2025
(JASMS) [ASAP] Advanced Computational Approaches for Unraveling Transformation Pathways of Organic Micropollutants in Aquatic Environments: Insights from the Photodegradation of Ciprofloxacin: Journal of the American Society for Mass SpectrometryDOI: 10.1021/jasms.5c00088 (RSS) #MassSpecRSS #JASMS
dlvr.it
[ASAP] Advanced Computational Approaches for Unraveling Transformation Pathways of Organic Micropollutants in Aquatic Environments: Insights from the Photodegradation of Ciprofloxacin
Journal of the American Society for Mass SpectrometryDOI: 10.1021/jasms.5c00088
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Tri Kaloudis @trikaloudis.bsky.social · 16/07/2025
Our new paper on the aroma of #Spirulina is out now in IJMS! A #sensomics approach to find out what makes it smell so unique. Congrats to Katerina Paraskevopoulou, M. Steinhaus, and V. Mall! A great collab between LSB at TUM and NCSR Demokritos. @mdpiopenaccess.bsky.social doi.org/10.3390/ijms...
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Genes & Diseases Journal @genesndiseases.bsky.social · 15/07/2025
This article reviews #metabolomics data #preprocessing methods, discusses their pros and cons, and emphasizes that the choice of method depends on the biological hypothesis, #dataset characteristics, and the selected statistical data analysis method. @uicdom.bsky.social #MostRead: buff.ly/tQpaQns
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SEES Lab @seeslab.bsky.social · 14/07/2025
New paper out in Briefings in Bioinformatics 📰SingleFrag: a deep learning tool for MS/MS fragment and spectral prediction and metabolite annotation academic.oup.com/bib/article/...
academic.oup.com
SingleFrag: a deep learning tool for MS/MS fragment and spectral prediction and metabolite annotation
Abstract. Metabolite and small molecule identification via tandem mass spectrometry (MS/MS) involves matching experimental spectra with prerecorded spectra
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Simons Foundation @simonsfoundation.org · 03/07/2025
Congratulations to our six new 2025 Simons Early Career Investigators in Aquatic Microbial Ecology and Evolution! See full list: www.simonsfoundation.org/2025/07/01/a... #science @systemsecology.bsky.social @daniel-petras.bsky.social @kendraturkkubo.bsky.social
simonsfoundation.org
Announcing the 2025 Simons Early Career Investigators in Aquatic Microbial Ecology and Evolution
The Simons Foundation and Simons Foundation International have named six scientists as 2025 Simons Early Career Investigators in Aquatic Microbial Ecology and Evolution. The two-year awards are intend...
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Daniel Petras @daniel-petras.bsky.social · 03/07/2025
Super excited that I’ve been selected as a Simons Early Career Investigator in Aquatic Microbial Ecology and Evolution. We will explore how marine microbes shape the production, transformation, and fate of dissolved organic matter. Thanks so much @simonsfoundation.org We can’t wait to get started!
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Justin J.J. van der Hooft @jjjvanderhooft.bsky.social · 23/06/2025
Proud of Niek de Jonge who did a fantastic job in presenting his work on cross-ion mode spectral similarity scoring! 😎 👏 Work with Florian Huber @me-datapoint.bsky.social #metabolomics #CompMetabolomics #MetSoc25 #MS2DeepScore
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Justin J.J. van der Hooft @jjjvanderhooft.bsky.social · 23/06/2025
#metabolomics #aroundtheglobe #community #teamwork 😎 together in #Prague #MetSoc25
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Justin J.J. van der Hooft @jjjvanderhooft.bsky.social · 24/06/2025
Proud of @elenadelpup.bsky.social who presented her work on #plant paired omics mining for biosynthesis pathway discovery! 😎👏 She presented #plantiSMASH and a MEANtools case study combining #transcriptomics & #metabolomics data. Work with @marnixmedema.bsky.social #CompMetabolomics #MetSoc25 #Prague
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Justin J.J. van der Hooft @jjjvanderhooft.bsky.social · 24/06/2025
The @emn-metsoc.bsky.social of the @metsoc.bsky.social rocks! Great to see how this initiative has developed into an essential part of the #metabolomics society and community! #MetSoc25 (and thanks for letting me be an "elderly career member" 😜)
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Florian Huber @me-datapoint.bsky.social · 25/06/2025
Great keynote by @sneumann.bsky.social at #MetSoc25, strongly advocating for #opensource , data-sharing, and making things interoperable. Glad to also spot #matchms in this universe :)
Slide from presentation of Steffen Neumann
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Florian Huber @me-datapoint.bsky.social · 26/06/2025
@jorainer.bsky.social and @philouail.bsky.social gave a great overview of the ecosystem around #RforMassSpectrometry and #XCMS! #MetSoc25 I am super glad they now also provide options to combine with #Python and #matchms (thanks🙏)
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Bright Giant @brightgiant.bsky.social · 23/06/2025
We are beyond happy to see so many contributions from the #SIRIUScommunity at tat #Metabolomics2025. Don't miss the opportunity to get in touch and gain first-hand insights how you can integrate SIRIUS into your annotation workflow.
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Breanna Dixon @breannadixon.bsky.social · 23/06/2025
#Metabolomics2025 is in full swing! Come find us at the @emn-metsoc.bsky.social booth and say hi!
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Chris Pook @drchrispook.bsky.social · 23/06/2025
So, today at #Metabolomics2025, I leant a new term for those huge clusters of features you get when you set your molecular networking thresholds too low: a hairball.
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Steffen Neumann @sneumann.bsky.social · 25/06/2025
Hi, in case your phone didn't pick up the QR code to the slides of my Hitch-Hikers Guide to Computational Metabolomics talk this morning at #Metabolomics2025, featuring #xcms, #massbank, not #metfrag but #CASMI and #MetFamily, please find them at doi.org/10.5281/zeno...
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Fundación MEDINA @medinadiscovery.bsky.social · 25/06/2025
We're excited to be attending #Metabolomics2025 in #Prague! Caridad Díaz, Senior Researcher at @medinadiscovery.bsky.social, has presented her poster about the molecular characterisation of the Tuberculosis vaccine using its exometabolome.
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EMN Metabolomics Society @emn-metsoc.bsky.social · 29/06/2025
That's a wrap on #Metabolomics2025! Thank you to the MetSoc conference committee, co-chairs, presenters + attendees! And to all who got involved w #EMN – whether you attended career night, #MetaboMentors workshop, visited our booth, or joined the treasure hunt! See you next year in Buenos Aires! 💚
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Tri Kaloudis @trikaloudis.bsky.social · 25/06/2025
Woo-hoo! Our MetaboArt proposal won a prize in AI art at #Metabolomics2025. 🥰 Title: #Cyanobacteria Metabolomics Big thanks to @emn-metsoc.bsky.social #MetaboArt #Metabolomics2025 #MetSoc25
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Chris Pook @drchrispook.bsky.social · 21/06/2025
To everyone heading to #Metabolomics2025 in Prague, I recommend installing the Prague public transport app. It's extremely helpful! play.google.com/store/apps/d...
play.google.com
PID Litacka - Apps on Google Play
Official transport application of Prague integrated transport system (PID)
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EMN Metabolomics Society @emn-metsoc.bsky.social · 22/06/2025
🎉 Welcome to #Metabolomics2025 in Prague - registration is now open! We're excited to kick off a week of groundbreaking science, collaboration, and community. 📸 Stop by the EMN booth, say hello, and snap a pic with us! #MetabolomicsSociety #EMN #Prague @metsoc.bsky.social
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Allerbiomics @allerbiomics.bsky.social · 22/06/2025
Tomorrow will be the second day at #Metabolomics2025! We will be presenting our research by the hand of ⬇️
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Florian Huber @me-datapoint.bsky.social · 23/06/2025
Good start for me at #metabolomics2025 with a hands-on workshop on MS2LDA by Jonas Dietrich, Rosina Torres Ortega and @jjjvanderhooft.bsky.social.
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