Mauricio Caraballo
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amcaraballor.bsky.social
Mauricio Caraballo
@amcaraballor.bsky.social
Scientist UC San Diego
Director MSCollaboratory
If you are working on aquatic symbiosis and interested in applying metabolomics, visit https://mscollaboratory.ucsd.edu
#MassSpec #NaturalProducts #SmallMolecules #Chemistry😎
#Surfing #Boardgames #Nature
Reposted by Mauricio Caraballo
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.
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…
www.sciencedirect.com
August 8, 2025 at 6:14 PM
Reposted by Mauricio Caraballo
(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
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.
dlvr.it
May 11, 2025 at 9:02 AM
Reposted by Mauricio Caraballo
Our community letter on #FAIR principles in #moleculardynamics simulations has been published on @naturemethods.bsky.social 🎉
📢 Our article calling for a #FAIR database for #MolecularDynamics simulation data has now been peer-reviewed and published in @naturemethods.bsky.social

📖 Read it here: rdcu.be/ef6YX

📝 Support the statement: bit.ly/3zVS3qm

#MDDB #FAIRdata #collaboration
April 5, 2025 at 9:56 AM
Reposted by Mauricio Caraballo
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. https://go.nature.com/41jCClO 🧪
March 13, 2025 at 1:12 AM
Reposted by Mauricio Caraballo
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. https://go.nature.com/3X6QkHk
March 3, 2025 at 2:12 AM
Reposted by Mauricio Caraballo
Enhanced Lipidomics Workflows for Plasma and Extracellular Vesicles through Advanced Liquid Chromatography-Tandem Mass Spectrometry Integrated #Talanta www.sciencedirect.com/science/arti...
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…
www.sciencedirect.com
March 2, 2025 at 8:30 AM
Reposted by Mauricio Caraballo
I can’t think of a better group to learn metabolomics data science from.
Good news: We will have another summer school on non-targeted metabolomics this year! Organized by Martin Hansen and Scott Jarmusch, this year's summer school will be hosted at DTU in Copenhagen from August 18-22, inc. a summer camp style accommodation option at DTU.
Sign up:
tinyurl.com/NTMS2025
March 2, 2025 at 1:39 AM
Reposted by Mauricio Caraballo
Discovery of metabolites prevails amid in-source fragmentation #NatMetab www.nature.com/articles/s42...
Discovery of metabolites prevails amid in-source fragmentation - Nature Metabolism
Nature Metabolism - Discovery of metabolites prevails amid in-source fragmentation
www.nature.com
March 1, 2025 at 8:12 PM
Reposted by Mauricio Caraballo
MSConnect: Open-Source, End-to-End Platform for Automated Mass Spectrometry Data Management, Analysis, and Visualization #JProteomeRes pubs.acs.org/doi/10.1021/...
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.
pubs.acs.org
February 28, 2025 at 6:21 PM
Reposted by Mauricio Caraballo
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
February 25, 2025 at 10:19 PM
Reposted by Mauricio Caraballo
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.
February 27, 2025 at 6:52 PM
Reposted by Mauricio Caraballo
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/...
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...
pubs.acs.org
February 28, 2025 at 9:12 PM
Reposted by Mauricio Caraballo
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
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...
rdcu.be
February 28, 2025 at 9:28 PM
Reposted by Mauricio Caraballo
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/...
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...
iubmb.onlinelibrary.wiley.com
January 29, 2025 at 6:58 PM
Reposted by Mauricio Caraballo
"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...
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
www.nature.com
January 16, 2025 at 2:29 PM
Reposted by Mauricio Caraballo
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....
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...
genomebiology.biomedcentral.com
January 14, 2025 at 3:49 PM
Reposted by Mauricio Caraballo
The 2025 Chemistry Faculty Jobs List has 462 tenure-track positions and 77 teaching positions: bit.ly/facultychemj... #facultychemjobs chemjobs chemsky
The 2025 Chemistry Faculty Jobs List
bit.ly
January 14, 2025 at 8:41 PM
Reposted by Mauricio Caraballo
Such amazing talks in the post-SIMB meeting symposium.
January 11, 2025 at 2:29 AM
Reposted by Mauricio Caraballo
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!
Are you working on natural products? We’ve just released version 4.0 of the MIBiG data standard and repository! It now includes 3059 biosynthetic gene clusters, thanks to the combined efforts of 288 expert contributors. A thread: (1/8) academic.oup.com/nar/advance-...
MIBiG 4.0: advancing biosynthetic gene cluster curation through global collaboration
Abstract. Specialized or secondary metabolites are small molecules of biological origin, often showing potent biological activities with applications in ag
academic.oup.com
December 10, 2024 at 6:35 PM
Reposted by Mauricio Caraballo
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!
https://academic.oup.com/nar/advance-article/doi/10.1093/nar/gkae1115/7919508?searchresult=1
t.co
December 10, 2024 at 11:41 AM
Reposted by Mauricio Caraballo
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...
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…
www.sciencedirect.com
December 10, 2024 at 6:01 PM
Reposted by Mauricio Caraballo
Deadline - this Friday
There are two PhD studentships advertised. Both MRC DiMeN DTP, both deadline 13th Dec

Project 1: by @henrikstrahl.bsky.social with myself & Jessica Buttress www.findaphd.com/phds/project... &

Project 2: by myself with @henrikstrahl.bsky.social & Manuel Banzhaf www.findaphd.com/phds/project...
December 9, 2024 at 7:46 AM
Reposted by Mauricio Caraballo
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...
Call for ISME Society Awards nominations - ISME
We encourage our membership to nominate individuals worthy of winning one of our three prestigious awards.
isme-microbes.org
December 10, 2024 at 6:28 AM
Reposted by Mauricio Caraballo
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!
December 3, 2024 at 6:48 PM