AquOmixLab
@aquomixlab.bsky.social
Aquatic metabolomics and mass spectrometry. Natural & synthetic compounds in water. At Athens Water (EYDAP SA). Views are our own. www.aquomixlab.com #teammassspec
Pinned
AquOmixLab
@aquomixlab.bsky.social
· Nov 19
Hello @bsky.app . We are happy to join and to see many #teammassspec friends and lots of 🦋. Follow us for water related science skeets.😍
Reposted by AquOmixLab
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/...
October 26, 2025 at 9:24 PM
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/...
Reposted by AquOmixLab
📢 #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...
🔗 lnkd.in/e9rXdwdQhttp...
Call for Abstracts: Share Your Science at SETAC Maastricht
www.setac.org
October 17, 2025 at 7:01 AM
📢 #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...
🔗 lnkd.in/e9rXdwdQhttp...
Reposted by AquOmixLab
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
Session description: setac.secure-platform.com/meetings/gal...
#SETAC #SETACEurope #SETAC2026
@setac.bsky.social @setac-glb.bsky.social
🧪📣 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.
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.
October 14, 2025 at 4:45 PM
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
Session description: setac.secure-platform.com/meetings/gal...
#SETAC #SETACEurope #SETAC2026
@setac.bsky.social @setac-glb.bsky.social
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....
October 11, 2025 at 5:56 AM
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....
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.
October 7, 2025 at 9:13 AM
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.
Reposted by AquOmixLab
The #IFHAB Workshop 16-17 October at Hamilton #Ontario. #Freshwater #HABs. Still time to register. www.ifhabworkshop.com
October 4, 2025 at 5:09 AM
The #IFHAB Workshop 16-17 October at Hamilton #Ontario. #Freshwater #HABs. Still time to register. www.ifhabworkshop.com
Reposted by AquOmixLab
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/...
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...
enviromicro-journals.onlinelibrary.wiley.com
October 1, 2025 at 4:02 PM
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/...
Reposted by AquOmixLab
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
@cyanoaction.bsky.social @ictc13.bsky.social
Join us in congratulating Sylvia Bonilla, winner of the Kilham Memorial Lecture Award! 🎉
To be delivered during the joint ASLO–SIL 2026 Congress in Montreal.
We look forward to celebrating her contributions to limnology and cyanobacteria research with the SIL community! 💧
To be delivered during the joint ASLO–SIL 2026 Congress in Montreal.
We look forward to celebrating her contributions to limnology and cyanobacteria research with the SIL community! 💧
October 1, 2025 at 4:16 PM
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
@cyanoaction.bsky.social @ictc13.bsky.social
Reposted by AquOmixLab
🧪📣 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.
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.
September 26, 2025 at 6:44 AM
🧪📣 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.
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.
Save the date for an exciting #HABs Session at #SETACMaastricht 👇
🧪📣 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.
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.
September 26, 2025 at 6:46 AM
Save the date for an exciting #HABs Session at #SETACMaastricht 👇
Reposted by AquOmixLab
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/10.1021/acs....
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...
doi.org
August 20, 2025 at 7:07 AM
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/10.1021/acs....
Reposted by AquOmixLab
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
August 18, 2025 at 9:15 AM
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
Reposted by AquOmixLab
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.
MCheM data analysis is supported in @mzmine.bsky.social @gnps2.bsky.social and SIRIUS (@brightgiant.bsky.social) and free for academic researchers.
July 27, 2025 at 6:36 PM
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.
MCheM data analysis is supported in @mzmine.bsky.social @gnps2.bsky.social and SIRIUS (@brightgiant.bsky.social) and free for academic researchers.
Reposted by AquOmixLab
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.
July 27, 2025 at 6:41 PM
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.
Reposted by AquOmixLab
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
www.nature.com/articles/s41...
Behind the paper story:
go.nature.com/45ljV4d
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. ...
www.nature.com
July 27, 2025 at 6:33 PM
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
www.nature.com/articles/s41...
Behind the paper story:
go.nature.com/45ljV4d
Reposted by AquOmixLab
#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
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
July 18, 2025 at 9:30 AM
#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
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
Reposted by AquOmixLab
🧵(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.
🌟 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.
July 22, 2025 at 4:36 AM
🧵(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.
🌟 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.
Reposted by AquOmixLab
Just out: Latest selection of novel methods for #metabolomics and #lipidomics
biomed.news/bims-metlip/...
A collaboration with @biomednews.bsky.social
biomed.news/bims-metlip/...
A collaboration with @biomednews.bsky.social
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
media.tenor.com
July 22, 2025 at 8:48 PM
Just out: Latest selection of novel methods for #metabolomics and #lipidomics
biomed.news/bims-metlip/...
A collaboration with @biomednews.bsky.social
biomed.news/bims-metlip/...
A collaboration with @biomednews.bsky.social
Reposted by AquOmixLab
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
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
July 23, 2025 at 2:06 PM
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
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
Reposted by AquOmixLab
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...
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...
July 24, 2025 at 7:49 PM
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...
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...
Reposted by AquOmixLab
(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
[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
dlvr.it
June 21, 2025 at 2:07 AM
(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
Reposted by AquOmixLab
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...
doi.org/10.3390/ijms...
July 16, 2025 at 5:30 AM
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...
doi.org/10.3390/ijms...
Reposted by AquOmixLab
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
#MostRead: buff.ly/tQpaQns
July 15, 2025 at 1:01 AM
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
#MostRead: buff.ly/tQpaQns
Reposted by AquOmixLab
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/...
📰SingleFrag: a deep learning tool for MS/MS fragment and spectral prediction and metabolite annotation academic.oup.com/bib/article/...
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
academic.oup.com
July 14, 2025 at 2:54 PM
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/...
📰SingleFrag: a deep learning tool for MS/MS fragment and spectral prediction and metabolite annotation academic.oup.com/bib/article/...
Reposted by AquOmixLab
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
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...
www.simonsfoundation.org
July 3, 2025 at 3:37 PM
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