Michael Witting
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View article: Structural annotation of acylcarnitines detected in SRM 1950 using collision-induced dissociation and electron-induced dissociation
Structural annotation of acylcarnitines detected in SRM 1950 using collision-induced dissociation and electron-induced dissociation Open
Acylcarnitines are important intermediates in fatty acid metabolism, shuttling acyl groups into mitochondria for β-oxidation and energy production. As biomarkers, their concentrations are utilized to diagnose metabolic and cardiovascular d…
View article: Strain-specific strategies underlie convergent phosphate solubilization in <i>Bacillus</i>
Strain-specific strategies underlie convergent phosphate solubilization in <i>Bacillus</i> Open
The stability of ecosystem functions under changing environmental conditions is often attributed to convergent functioning, where different mechanisms lead to similar outcomes. In soil systems, microbial activity is a major driver of nutri…
View article: Optimizing nanoLC-TIMS-TOF and lipidomics sample preparation for low volume of plasma
Optimizing nanoLC-TIMS-TOF and lipidomics sample preparation for low volume of plasma Open
Lipidomics provides critical insights into disease mechanisms, biomarker discovery, and precision medicine, but conventional LC-MS workflows often require large sample volumes, limiting their application in minimally invasive studies. Here…
View article: Optimizing nanoLC-TIMS-TOF and lipidomics sample preparation for low volume of plasma
Optimizing nanoLC-TIMS-TOF and lipidomics sample preparation for low volume of plasma Open
Lipidomics provides critical insights into disease mechanisms, biomarker discovery, and precision medicine, but conventional LC-MS workflows often require large sample volumes, limiting their application in minimally invasive studies. Here…
View article: Structural annotation of acylcarnitine's detected in NIST 1950 using Collision Induced Dissociation and Electron Induced Dissociation
Structural annotation of acylcarnitine's detected in NIST 1950 using Collision Induced Dissociation and Electron Induced Dissociation Open
Acylcarnitines are important intermediates in fatty acid metabolism, shuttling acyl groups into mitochondria for β-oxidation and energy production. As biomarkers, their concentrations are utilized to diagnose metabolic and cardiovascular d…
View article: Determining carbon-carbon double bond position of unsaturated glycerophospholipids in human plasma NIST® SRM® 1950 by electron impact excitation of ions from organics-tandem mass spectrometry (EIEIO-MS/MS)
Determining carbon-carbon double bond position of unsaturated glycerophospholipids in human plasma NIST® SRM® 1950 by electron impact excitation of ions from organics-tandem mass spectrometry (EIEIO-MS/MS) Open
Understanding the structural diversity and biological functions of unsaturated fatty acyl chains (FAC) esterified in complex lipids -such as glycerolipids (GL), glycerophospholipids (GP) or sphingolipids (SP)- requires precise knowledge of…
View article: xcms at 20 and still in peak form: Anchoring a complete metabolomics data preprocessing and analysis software ecosystem
xcms at 20 and still in peak form: Anchoring a complete metabolomics data preprocessing and analysis software ecosystem Open
High-quality data preprocessing is essential for untargeted metabolomics experiments, where increasing dataset scale and complexity demand adaptable, robust, and reproducible software solutions. Modern preprocessing tools must evolve to in…
View article: Polyketide synthase-derived sphingolipids mediate microbiota protection against a bacterial pathogen in C. elegans
Polyketide synthase-derived sphingolipids mediate microbiota protection against a bacterial pathogen in C. elegans Open
Protection against pathogens is a major function of the gut microbiota. Although bacterial natural products have emerged as crucial components of host-microbiota interactions, their exact role in microbiota-mediated protection is largely u…
View article: Times are changing but order matters: Transferable prediction of small molecule liquid chromatography retention times
Times are changing but order matters: Transferable prediction of small molecule liquid chromatography retention times Open
Hundreds of models for the prediction of small molecule retention times were published during the last decades. Our goal is the transferable prediction of retention times: Our method should predict retention times for a target dataset, wit…
View article: SpectriPy: Enhancing Cross-Language Mass Spectrometry Data Analysis with R and Python
SpectriPy: Enhancing Cross-Language Mass Spectrometry Data Analysis with R and Python Open
View article: Discovery of metabolites prevails amid in-source fragmentation
Discovery of metabolites prevails amid in-source fragmentation Open
View article: Phosphorylated glycosphingolipids are commonly detected in Caenorhabditis elegans lipidomes
Phosphorylated glycosphingolipids are commonly detected in Caenorhabditis elegans lipidomes Open
View article: Determining Carbon-Carbon Double Bond Position of Unsaturated Glycerophospholipids in Human Plasma Nist® Srm® 1950 by Electron Impact Excitation of Ions from Organics-Tandem Mass Spectrometry (Eieio-Ms/Ms)
Determining Carbon-Carbon Double Bond Position of Unsaturated Glycerophospholipids in Human Plasma Nist® Srm® 1950 by Electron Impact Excitation of Ions from Organics-Tandem Mass Spectrometry (Eieio-Ms/Ms) Open
View article: Times are changing but order matters: Transferable prediction of small molecule liquid chromatography retention times
Times are changing but order matters: Transferable prediction of small molecule liquid chromatography retention times Open
Thousands of publications on the prediction of small molecule retention times were published during the last decades. The ultimate goal is, without doubt, the transferable prediction of retention times: We want to train a model on a certai…
View article: LipiDetective a deep learning model for the identification of molecular lipid species in tandem mass spectra
LipiDetective a deep learning model for the identification of molecular lipid species in tandem mass spectra Open
Lipids are involved in many vital processes within the cell, and alterations in lipid homeostasis have been associated with various diseases such as cancer or type 2 diabetes. Confidently identifying lipids in samples is a prerequisite for…
View article: Navigating common pitfalls in metabolite identification and metabolomics bioinformatics
Navigating common pitfalls in metabolite identification and metabolomics bioinformatics Open
View article: Dipeptide metabolite, glutamyl-glutamate mediates microbe-host interaction to boost spermatogenesis
Dipeptide metabolite, glutamyl-glutamate mediates microbe-host interaction to boost spermatogenesis Open
The decrease in sperm count and infertility is a global issue that remains unresolved. By screening environmental bacterial isolates, we have found that a novel lactic acid bacterium, Lactiplantibacillus plantarum SNI3, increased testis si…
View article: Targeted and untargeted metabolomics and lipidomics in dried blood microsampling: Recent applications and perspectives
Targeted and untargeted metabolomics and lipidomics in dried blood microsampling: Recent applications and perspectives Open
Blood microsampling (BµS) offers an alternative to conventional methods that use plasma or serum for profiling human health, being minimally invasive and cost effective, especially beneficial for vulnerable populations. We present a non‐sy…
View article: SIN-3 transcriptional coregulator maintains mitochondrial homeostasis and polyamine flux
SIN-3 transcriptional coregulator maintains mitochondrial homeostasis and polyamine flux Open
Mitochondrial function relies on the coordinated transcription of mitochondrial and nuclear genomes to assemble respiratory chain complexes. Across species, the SIN3 coregulator influences mitochondrial functions, but how its loss impacts …
View article: Polyketide synthase-derived sphingolipids determine microbiota-mediated protection against pathogens in<i>C. elegans</i>
Polyketide synthase-derived sphingolipids determine microbiota-mediated protection against pathogens in<i>C. elegans</i> Open
Protection against pathogens is a major function of the gut microbiota. Although bacterial natural products have emerged as crucial components of host-microbiota interactions, their exact role in microbiota-mediated protection is largely u…
View article: Polyketide synthase-derived sphingolipids determine microbiota-mediated protection against pathogens in C. elegans
Polyketide synthase-derived sphingolipids determine microbiota-mediated protection against pathogens in C. elegans Open
Protection against pathogens is a major function of the gut microbiota. Although bacterial natural products have emerged as crucial components of host-microbiota interactions, their exact role in microbiota-mediated protection is largely u…
View article: Challenges and perspectives for naming lipids in the context of lipidomics
Challenges and perspectives for naming lipids in the context of lipidomics Open
View article: MALDI FTICR MS imaging data of mouse testis
MALDI FTICR MS imaging data of mouse testis Open
Imaging mass spectrometry data (.imzML format) for mouse testis. Detailed information is given in the publication by Sun & Juhász et al. "Dipeptide metabolite, glutamyl-glutamate mediates microbe-host interaction to boost spermatogenesis" …
View article: MALDI FTICR MS imaging data of mouse testis
MALDI FTICR MS imaging data of mouse testis Open
Imaging mass spectrometry data (.imzML format) for mouse testis. Detailed information is given in the publication by Sun & Juhász et al. "Dipeptide metabolite, glutamyl-glutamate mediates microbe-host interaction to boost spermatogenesis" …
View article: APEX: an Annotation Propagation Workflow through Multiple Experimental Networks to Improve the Annotation of New Metabolite Classes in <i>Caenorhabditis elegans</i>
APEX: an Annotation Propagation Workflow through Multiple Experimental Networks to Improve the Annotation of New Metabolite Classes in <i>Caenorhabditis elegans</i> Open
Spectral similarity networks, also known as molecular networks, are crucial in non-targeted metabolomics to aid identification of unknowns aiming to establish a potential structural relation between different metabolite features. However, …
View article: Volumetric Absorptive Microsampling in the Analysis of Endogenous Metabolites
Volumetric Absorptive Microsampling in the Analysis of Endogenous Metabolites Open
Volumetric absorptive microsampling (VAMS) has arisen as a relevant tool in biological analysis, offering simplified sampling procedures and enhanced stability. Most of the attention VAMS has received in the past decade has been from pharm…
View article: (Re‐)use and (re‐)analysis of publicly available metabolomics data
(Re‐)use and (re‐)analysis of publicly available metabolomics data Open
Metabolomics, the systematic measurement of small molecules (<1000 Da) in a given biological sample, is a fast‐growing field with many different applications. In contrast to transcriptomics and proteomics, sharing of data is not as widespr…
View article: SIN-3 transcriptional coregulator maintains mitochondrial homeostasis and polyamine flux
SIN-3 transcriptional coregulator maintains mitochondrial homeostasis and polyamine flux Open
Mitochondrial function relies on the coordinated transcription of mitochondrial and nuclear genomes to assemble respiratory chain complexes. Across species, the SIN3 coregulator influences mitochondrial functions, but how its loss impacts …
View article: RepoRT: A comprehensive repository for small molecule retention times
RepoRT: A comprehensive repository for small molecule retention times Open
Liquid chromatography is frequently employed for the separation of metabolites and other small molecules. Prediction of retention times via machine learning methods can assist compound annotation. Yet, transferable predictions are intrinsi…
View article: RepoRT: A comprehensive repository for small molecule retention times
RepoRT: A comprehensive repository for small molecule retention times Open
Liquid chromatography is frequently employed for the separation of metabolites and other small molecules. Prediction of retention times via machine learning methods can assist compound annotation. Yet, transferable predictions are intrinsi…