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Mauricio Caraballo

@amcaraballor.bsky.social
310 followers 259 following 5 posts

Scientist UC San Diego Director MSCollaboratory If you are working on aquatic symbiosis and interested in applying metabolomics, visit mscollaboratory.ucsd.edu #MassSpec #NaturalProducts #SmallMolecules #Chemistry😎 #Surfing #Boardgames #Nature

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Mauricio Caraballo @amcaraballor.bsky.social · 31/03/2026
Our perspective “From Molecules to Metabolomes, Understanding Symbiosis through Small Molecules” is part of the special issue “Natural Product Signals – from Microbiomes to the Environment” (many other great papers too!) is available in the Journal of Natural Products pubs.acs.org/doi/10.1021/...
pubs.acs.org
From Molecules to Metabolomes, Understanding Symbiosis through Small Molecules
Symbiosis, from Greek “living together” refers to the close association among organisms. Although these associations are found everywhere in nature, we do not know how these relationships are establis...
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Mauricio Caraballo @amcaraballor.bsky.social · 05/12/2025
Thnks x sharing dear @jonathanparra.bsky.social, and this scienmag.com/unlocking-ac... also highlights the importance of Actinomycetes: "These organisms not only exemplify the marvels of nature’s creativity but also embody the enduring quest for knowledge and understanding in the microbial world."
scienmag.com
Unlocking Actinomycetes: Nature's Hidden Drug Reservoir
The field of microbiology has long been captivated by the potentials And discoveries brought forth by Actinomycetes, a unique group of bacteria known for their significant role in natural product
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Reposted by Mauricio Caraballo
Jonathan Parra @jonathanparra.bsky.social · 03/12/2025
Recommended reading for those of us who study actinomycetes using untargeted metabolomics. Incredible work by @amcaraballor.bsky.social, @pieterdorrestein.bsky.social, and collaborators. rdcu.be/eSRxT
rdcu.be
The undiscovered natural product potential of Actinomycetes
The Journal of Antibiotics - The undiscovered natural product potential of Actinomycetes
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Harsha Gouda @harshagouda.bsky.social · 08/08/2025
The interactions between food, microbiome and host that modulate health can be complex. Here, we offer a perspective on how mass spectrometry can be leveraged to address some of these challenges to understand host and microbial metabolism of food. A step closer to personalized health and nutrition.
sciencedirect.com
The mass spectrometry of microbiome-mediated metabolism of food: challenges and opportunities
With the exception of molecules acquired through the lungs, skin absorption, or part of a medication regime, nearly all molecules in our bodies origin…
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Reposted by Mauricio Caraballo
Kermit Murray @kkmurray.bsky.social · 11/05/2025
(BioRxiv All) Nova: A library for rapid development of mass spectrometry software applications: Nova is a software library for the reading, writing, and management of mass spectrometry data natively in the C# language. It complements similar software libraries ubiquitously… #BioRxiv #MassSpecRSS
dlvr.it
Nova: A library for rapid development of mass spectrometry software applications
Nova is a software library for the reading, writing, and management of mass spectrometry data natively in the C# language. It complements similar software libraries ubiquitously used in application development for C++, Python, and Java. Few software libraries and resources for mass spectrometry data analysis have been developed for C# relative to other languages. C#, however, remains the dominant language of choice for development of real time mass spectrometry (RTMS) analysis and instrument control applications, illustrating the need for native C# libraries when developing RTMS software. Nova provides fast, easy-to-use structures and classes built upon interfaces that support open community standards, and are easily extensible for current or future mass spectrometry software development needs.
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BioMassSpec @realbiomassspec.bsky.social · 20/04/2025
Tryptophan metabolism in children with migraine: The role of kynurenine pathway #BrainDev #MassSpec www.brainanddevelopment.com/article/S038...
brainanddevelopment.com
Tryptophan metabolism in children with migraine: The role of kynurenine pathway
Migraine is a common neurological disorder in children, significantly impacting quality of life and academic performance. The kynurenine pathway, a major metabolic route of tryptophan, plays a critica...
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Reposted by Mauricio Caraballo
Bussi Lab @bussilab.org · 05/04/2025
Our community letter on #FAIR principles in #moleculardynamics simulations has been published on @naturemethods.bsky.social 🎉
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Nature Portfolio @natureportfolio.nature.com · 13/03/2025
Amazonian deforestation is making wet seasons wetter and dry seasons dryer, according to research in Nature. The analysis highlights the local and regional effects of removing trees from the tropical region. go.nature.com/41jCClO 🧪
This is figure 1, which shows simulated contrasting precipitation responses to deforestation at different scales (0–1,000 km) over the Amazon region.
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Nature Portfolio @natureportfolio.nature.com · 03/03/2025
Global insect invasions are increasing, driven by advances in globalization and technology. A Review in Nature Reviews Biodiversity discusses the effects of increasing trade and transport on insect invasions worldwide, and strategies for mitigation. go.nature.com/3X6QkHk
This is figure 3, which shows intercontinental species flow of non-native insects.
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BioMassSpec @realbiomassspec.bsky.social · 02/03/2025
Enhanced Lipidomics Workflows for Plasma and Extracellular Vesicles through Advanced Liquid Chromatography-Tandem Mass Spectrometry Integrated #Talanta www.sciencedirect.com/science/arti...
sciencedirect.com
Enhanced Lipidomics Workflows for Plasma and Extracellular Vesicles through Advanced Liquid Chromatography-Tandem Mass Spectrometry Integrated
Lipidomics, a subfield of metabolomics, provides comprehensive analysis of lipids in biological systems and is essential for biomedical research, driv…
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Pieter Dorrestein @pieterdorrestein.bsky.social · 02/03/2025
I can’t think of a better group to learn metabolomics data science from.
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BioMassSpec @realbiomassspec.bsky.social · 01/03/2025
Discovery of metabolites prevails amid in-source fragmentation #NatMetab www.nature.com/articles/s42...
nature.com
Discovery of metabolites prevails amid in-source fragmentation - Nature Metabolism
Nature Metabolism - Discovery of metabolites prevails amid in-source fragmentation
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BioMassSpec @realbiomassspec.bsky.social · 28/02/2025
MSConnect: Open-Source, End-to-End Platform for Automated Mass Spectrometry Data Management, Analysis, and Visualization #JProteomeRes pubs.acs.org/doi/10.1021/...
pubs.acs.org
MSConnect: Open-Source, End-to-End Platform for Automated Mass Spectrometry Data Management, Analysis, and Visualization
The scale of mass spectrometry-based proteomics data sets continues to increase, and the analysis workflows are becoming more complex as various steps are carried out using a multitude of software programs developed by both commercial providers and the research community. Manually shepherding data across multiple programs and in-house-developed scripts can be error prone and labor intensive. It is also difficult for others to follow the same steps, leading to poor repeatability. We have developed an integrated data management and analysis platform termed MSConnect that enables simple and traceable processing workflows across multiple programs, thus improving repeatability and automating common backup and analysis steps from the point of data collection through summarization and visualization. The open nature of the MSConnect platform enables the diverse omics community to seamlessly integrate third-party tools or develop and automate their own unique workflows. With an open license and design architecture, MSConnect has the potential to become a community-driven platform serving a wide range of MS-based omics researchers.
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West Coast Metabolomics Center UCDavis @metabolomics-wcmc.bsky.social · 25/02/2025
Wow, we have been teaching over 12 years #Metabolomics! Our LCMS course is from 3/24-3/28. A couple seats are left. More info/ registration/ payment are here: metabolomics.ucdavis.edu/hands-lc-ms-.... @msacl-org.bsky.social @jjjvanderhooft.bsky.social @pieterdorrestein.bsky.social
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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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Pieter Dorrestein @pieterdorrestein.bsky.social · 28/02/2025
Another fun paper that was started by a good and important question by Prajit - an undergrad in the lab - about imputation. We then teamed up with the Kelley lab as they are good at such benchmarking in data science. So fun to work woth them. pubs.acs.org/doi/10.1021/...
pubs.acs.org
To Impute or Not To Impute in Untargeted Metabolomics─That is the Compositional Question
Untargeted metabolomics often produce large datasets with missing values. These missing values are derived from biological or technical factors and can undermine statistical analyses and lead to biase...
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Pieter Dorrestein @pieterdorrestein.bsky.social · 28/02/2025
Reverse metabolomics made these two papers a reality. www.nature.com/articles/s41... and www.cell.com/cell/fulltex... but hard for others to do similar analysis as the data science is at a high level. So @vincentlamoureux.bsky.social wanted to enable others with this powerful strategy rdcu.be/ebIF2
rdcu.be
A guide to reverse metabolomics—a framework for big data discovery strategy
Nature Protocols - In this reverse metabolomics protocol, a tandem mass spectrometry spectrum is used as a search term to probe public metabolomic data. Analysis of the metadata connected with...
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BioMassSpec @realbiomassspec.bsky.social · 29/01/2025
Untargeted metabolomics reveals biomarkers for the diagnosis of coronary artery plaques as observed by coronary cardiac computed tomography #BioFactors iubmb.onlinelibrary.wiley.com/doi/10.1002/...
iubmb.onlinelibrary.wiley.com
Untargeted metabolomics reveals biomarkers for the diagnosis of coronary artery plaques as observed by coronary cardiac computed tomography
Patients from the north of Israel who underwent cardiac CT were classified into two groups: Patients with coronary artery plaques (CAD group) and patients without artery plaques (control group). Un-t...
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Jack A Gilbert @gilbertjacka.bsky.social · 16/01/2025
"How does kombucha impact the gut microbiome and health? 🧬🍵 Our new study explores this popular fermented tea's subtle effects on gut bacteria and biochemical markers in a Western diet context. Dive into the findings: www.nature.com/articles/s41...
nature.com
Modulating the human gut microbiome and health markers through kombucha consumption: a controlled clinical study - Scientific Reports
Scientific Reports - Modulating the human gut microbiome and health markers through kombucha consumption: a controlled clinical study
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Thom Booth @thombooth.bsky.social · 14/01/2025
In July, we tripled the number of high-quality Streptomyces genomes in the NCBI. Today, we have published an updated pangenomic analysis of their biosynthetic potential! Very greatful to Omkar for including me in this project!! 🧪🦠 #microbiology genomebiology.biomedcentral.com/articles/10....
genomebiology.biomedcentral.com
Pangenome mining of the Streptomyces genus redefines species’ biosynthetic potential - Genome Biology
Background Streptomyces is a highly diverse genus known for the production of secondary or specialized metabolites with a wide range of applications in the medical and agricultural industries. Several...
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Chemjobber @chemjobber.bsky.social · 14/01/2025
The 2025 Chemistry Faculty Jobs List has 462 tenure-track positions and 77 teaching positions: bit.ly/facultychemj... #facultychemjobs chemjobs chemsky
bit.ly
The 2025 Chemistry Faculty Jobs List
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Pieter Dorrestein @pieterdorrestein.bsky.social · 11/01/2025
Such amazing talks in the post-SIMB meeting symposium.
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Marc Chevrette @wildtypemc.bsky.social · 10/12/2024
Proud of my lab for helping with such a worthy effort. 3 grad students, 1 postdoc, 1 staff, and 1 very tired PI from our lab represented here!
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Constance Bailey @constancebailey.bsky.social · 10/12/2024
t.co/ysDjvNHxkY Really excited and impressed by Mitja @marnixmedema.bsky.social and everyone for their efforts to coordinate us globally for the latest iteration of MIBiG, and grateful to have had a role in this rollout!
t.co
https://academic.oup.com/nar/advance-article/doi/10.1093/nar/gkae1115/7919508?searchresult=1
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htw @heniek-htw.bsky.social · 10/12/2024
Elevated bile acids induce #circadian rhythm #sleep disorders in chronic #liver diseases Cholemia is a major risk factor for CRSDs in CLDs and hence promising target in future clinical study. www.sciencedirect.com/science/arti...
sciencedirect.com
Elevated bile acids induce circadian rhythm sleep disorders in chronic liver diseases
Sleep disorders (SDs) are common in chronic liver diseases (CLDs). Some SDs arise from impaired internal clock and are hence circadian rhythm SDs (CRS…
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Reposted by Mauricio Caraballo
Dr Katherine Duncan @kateduncan.bsky.social · 09/12/2024
Deadline - this Friday
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Ákos T Kovács @evolvedbiofilm.bsky.social · 10/12/2024
Every two years, ISME celebrates the achievements of scientists who have substantially advanced the field of microbial ecology. If you know of outstanding members of the community worthy of an ISME Society Award, please fill in the nominations ballot by 31 Jan 2025👇🏼 isme-microbes.org/call-for-ism...
isme-microbes.org
Call for ISME Society Awards nominations - ISME
We encourage our membership to nominate individuals worthy of winning one of our three prestigious awards.
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microbialcmmc.bsky.social @microbialcmmc.bsky.social · 03/12/2024
Welcome to CMMC! We are excited to announce our upcoming workshop designed to be interactive and beginner friendly. We will introduce Reverse Metabolomics, a novel approach to identifying microbial metabolites using mass spec. We will show YOU how to identify and categorize microbial metabolites!
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Chemjobber @chemjobber.bsky.social · 03/12/2024
The 2025 Chemistry Faculty Jobs List (by Andrew Spaeth, me) has 428 tenure-track positions and 65 teaching positions: bit.ly/facultychemj... facultychemjobs chemjobs chemsky 🧪
bit.ly
The 2025 Chemistry Faculty Jobs List
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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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Dr Katherine Duncan @kateduncan.bsky.social · 26/11/2024
The Natural Products Atlas 3.0: extending the database of microbially derived natural products - thanks to the Linington lab for letting the Duncan lab be part of the curation efforts academic.oup.com/nar/advance-... #NaturalProducts #SpecializedMetabolites #microsky #microbialchemistry
academic.oup.com
The Natural Products Atlas 3.0: extending the database of microbially derived natural products
Abstract. The Natural Products Atlas is a database of microbially derived natural products that contains structures, producing organism taxonomy, biosynthe
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Pieter Dorrestein @pieterdorrestein.bsky.social · 26/11/2024
This is only achieved due to the creativity of people that we get to work and collaborate with. Thanks to all.
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Sam Williams @samwill.bsky.social · 25/11/2024
Sure this will be super useful going forward for benchmarking and discovery 'MassSpecGym is the largest publicly available dataset of high-quality labeled MS/MS spectra' arxiv.org/html/2410.23...
arxiv.org
MassSpecGym: A benchmark for the discovery and identification of molecules
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Matthew Kirk @microbialmatt.bsky.social · 20/09/2023
Microbes are collectively one of the biggest forces shaping Earth, and yet undergraduate #geology students typically receive little training in microbiology. My new open access textbook seeks to help. “Microbiology for Earth Scientists” is freely available here newprairiepress.org/ebooks/53/
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Jan Broder Engler @jbengler.de · 23/11/2024
Tidyplots lets you add test statistics on the fly 🦋 tidyplots.org
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Ákos T Kovács @evolvedbiofilm.bsky.social · 21/11/2024
Our new paper is published in Scientific Data describing the genome sequences of 121 Bacillales isolates from all around the world -together with @tilmweber.bsky.social Joint DTU-BGI PhD project and nice collaborative effort providing the isolates www.nature.com/articles/s41... #Bacillus
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Wei Shen 沈 伟 @shenwei356.bsky.social · 20/11/2024
Just updated taxid-changelog. Now you can track each NCBI Taxonomy taxon's detailed changes in the past 10 years😮😱😃 This is the proudest work I've done in my past 10+ year academic career, cause it's useful and funny but no one else did this, haha. github.com/shenwei356/t...
github.com
Release taxid-changelog v2024.11 · shenwei356/taxid-changelog
This version includes taxdump files of "2013-02-21", "2013-05-03", "2014-06-03","2014-07-22" $ zcat taxid-changelog.csv.gz \ | csvtk grep -f taxid -p 562 \ | csvtk cut -f -lineage-taxids \...
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Cameron Thrash @jcamthrash.bsky.social · 19/11/2024
Coffee consumption is associated with intestinal Lawsonibacter asaccharolyticus abundance and prevalence across multiple cohorts www.nature.com/articles/s41... #jcampubs
nature.com
Coffee consumption is associated with intestinal Lawsonibacter asaccharolyticus abundance and prevalence across multiple cohorts - Nature Microbiology
Coffee consumption is associated with the presence and abundance of a specific member of the human gut microbiome, Lawsonibacter asaccharolyticus, and changes to the plasma metabolome.
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Mauricio Caraballo @amcaraballor.bsky.social · 20/11/2024
“Raised to obey” seems to be a good book: press.princeton.edu/books/paperb..., a short interview here: today.ucsd.edu/story/mass-e...
today.ucsd.edu
Mass Education Was Designed to Quash Critical Thinking
In her book
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Dr Katherine Duncan @kateduncan.bsky.social · 19/11/2024
Just a reminder - I’ve made a second microbial natural products starter pack - let me know if you want added (please check you don’t already feature in the first pack to avoid duplication) go.bsky.app/4xnRN52
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chasingmicrobes @chasingmicrobes.bsky.social · 19/11/2024
Language model-guided anticipation and discovery of unknown metabolites www.biorxiv.org/content/10.1...
biorxiv.org
Language model-guided anticipation and discovery of unknown metabolites
Despite decades of study, large parts of the mammalian metabolome remain unexplored. Mass spectrometry-based metabolomics routinely detects thousands of small molecule-associated peaks within human ti...
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Reposted by Mauricio Caraballo
Pieter Dorrestein @pieterdorrestein.bsky.social · 19/11/2024
Here is a second bleetorial about a paper we recently preprinted. Here @shipei-xing.bsky.social wanted to find a solution to be able to re-use data in the public domain with MS1 data only - LC-MS and imaging mass spectrometry data. www.biorxiv.org/content/10.1...
biorxiv.org
Annotating full-scan MS data using tandem MS libraries
Full-scan mass spectrometry (MS) data from both liquid chromatography (LC) and MS imaging capture multiple ion forms, including their in-source fragments. Here we leverage such fragments to structural...
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Peter Girguis @pgirguis.bsky.social · 19/11/2024
Metabolomics folks / mass spectrometrists, are you looking for a cool postdoc opportunity? Dr. Anitra Ingalls @ the Univ. of Washington is hiring a postdoc to work with an international team (including yours truly) on the metabolites of marine critters. Come work with us! apply.interfolio.com/150110
apply.interfolio.com
Apply - Interfolio {{$ctrl.$state.data.pageTitle}} - Apply - Interfolio
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Katherine Xue @ksxue.bsky.social · 19/11/2024
Hi friends new and old! I study how microbes interact and evolve in complex communities like the human gut microbiome.🦠🧬💩 I'm thrilled to share that I'm starting a lab at UC Irvine in April 2025 and am recruiting at all levels - please spread the word! kxuelab.com More about my work below...🧵1/n
kxuelab.com
Xue lab at UC Irvine
Ecology and evolution in the human gut microbiome
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Jonathan Eisen @phylogenomics.bsky.social · 20/11/2024
Microbiome FacultyJob at UC Davis in the Department of Medical Microbiology and Immunology (one of the departments where I reside ...) See recruit.ucdavis.edu/JPF06847
recruit.ucdavis.edu
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Pieter Dorrestein @pieterdorrestein.bsky.social · 20/11/2024
Ok a third bleetorial or skeetorial of another preprint. www.biorxiv.org/content/10.1... in this case Nina, our exposome expert, Kine, our expert pharmacist, Corinna, the MS/MS guru, wanted to identify medication exposures from untargeted metabolomics data. Why? - aren’t there good medical records?
biorxiv.org
Empirically establishing drug exposure records directly from untargeted metabolomics data
Despite extensive efforts, extracting information on medication exposure from clinical records remains challenging. To complement this approach, we developed the tandem mass spectrometry (MS/MS) based...
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Jan Broder Engler @jbengler.de · 18/11/2024
Tidyplots makes it easy to generate publication-ready plots for scientific papers 🚀 tidyplots.org
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Mauricio Caraballo @amcaraballor.bsky.social · 19/11/2024
Thank you very much dear @danudwary.secondarymetabolism.com for this starting pack, a great welcoming to this 🦋🤗
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Pieter Dorrestein @pieterdorrestein.bsky.social · 19/11/2024
This will me my fist blueet! Microbial N-Acyl lipids have been shown to regulate glucose, pain etc among other things. Therefore Helena, Vincent and Martijn asked the question - are there more and if so what types? And boy did they find some www.biorxiv.org/content/10.1...
biorxiv.org
The microbiome diversifies N-acyl lipid pools - including short-chain fatty acid-derived compounds
N -acyl lipids are important mediators of several biological processes including immune function and stress response. To enhance the detection of N -acyl lipids with untargeted mass spectrometry-based...
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Dr Katherine Duncan @kateduncan.bsky.social · 14/11/2024
If you’re interested in microbial specialized metabolites #naturalproducts - we’ve compiled a list of useful bioinformatics / community resources - it’s not meant to be comprehensive- just somewhere to start - let us know if you find it useful 😊 #microsky #secmet
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