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MetabolomicsAutomated Label-free Quantification of Metabolites from Liquid Chromatography–Mass Spectrometry Data (Simulated)

Liquid chromatography coupled to mass spectrometry (LC-MS) has become a standard technology in metabolomics. In particular, label-free quantification based on LC-MS is easily amenable to large-scale studies and thus well suited to clinical metabolomics. Large-scale studies, however, require autom...

2015-12-16 | MTBLS235 | MetaboLights
MetabolomicsAutomated Label-free Quantification of Metabolites from Liquid Chromatography–Mass Spectrometry Data (Plasma)

Liquid chromatography coupled to mass spectrometry (LC-MS) has become a standard technology in metabolomics. In particular, label-free quantification based on LC-MS is easily amenable to large-scale studies and thus well suited to clinical metabolomics. Large-scale studies, however, require autom...

2015-12-16 | MTBLS234 | MetaboLights
MetabolomicsA combined direct infusion/reversed phase chromatography – high resolution mass spectrometry workflow for accurate absolute lipid quantification with 13C- internal standards
We propose a fully automated novel workflow for lipidomics based on flow injection, followed by liquid chromatography-high-resolution mass spectrometry (FI/LC-HRMS). The workflow combined in-depth characterization of the lipidome achieved via reversed-phase LC-HRMS with absolute quantification by us...
2021-07-01 | MTBLS1876 | MetaboLights
MetabolomicsAdjunctive ibuprofen in pre-extensively drug-resistant and extensively drug-resistant tuberculosis: a Phase IIA open-label pilot clinical trial

Drug-resistant tuberculosis (TB) remains a major global health challenge. Host-directed therapies (HDTs) aim to limit tissue damage, shorten treatment, and improve outcomes by modulating immune responses. We evaluated the safety and potential efficacy of adjunctive ibuprofen an inexpens...

2026-05-28 | MTBLS13376 | MetaboLights
ProteomicsMaxLFQ label-free quantification algorithm benchmark datasets
We developed a set of algorithms for label-free quantification, termed MaxLFQ, embedded into MaxQuant. This contains two datasets to benchmark MaxLFQ: The proteome benchmark dataset consists of of HeLa and E. coli lysates mixed at defined ratios. The dynamic range benchmark dataset consists of UPS1...
ORGANISM(S): Escherichia Coli (ncbitaxon:562) Homo Sapiens (ncbitaxon:9606) 
2017-12-19 | MSV000081831 | MassIVE
ProteomicsLFQbench enables a multi-centered benchmark study demonstrating robust proteomic label-free quantification
The consistent and accurate quantification of proteins is a challenging task for mass spectrometry (MS)-based proteomics. SWATH-MS uses data-independent acquisition (DIA) for label-free quantification. Here we evaluated five software tools for processing SWATH-MS data: OpenSWATH, SWATH2.0, Skyline, ...
ORGANISM(S): Escherichia Coli (ncbitaxon:562) Homo Sapiens (ncbitaxon:9606) Saccharomyces Cerevisiae (ncbitaxon:4932) 
2017-04-27 | MSV000081024 | MassIVE
ProteomicsHybrid QconCAT-based Targeted Absolute and Data-independent Acquisition-based Label-free Quantification Enables In-depth Proteomic Characterization of Wheat ATI Extracts
In this study, we present a novel hybrid data-independent acquisition LC-MS approach, combining QconCAT technology with short microflow LC gradients and DIA and apply the method towards the quantitative proteome analysis of ATI extracts from wheat flour. The novel method is fast, robust and reproduc...
ORGANISM(S): Triticum aestivum (Wheat) 
2021-04-22 | PXD021381 | Pride
Wheat Dia Data-independent acquisition Qconcat Absolute quantification Microflow lc-ms Ati Triticum Amylase-trypsin inhibitor 
ProteomicsLabel free mass spectrometry-based quantification of linker histone H1 variants in clinical samples
Epigenetic aberrations have been recognized as important contributors to cancer onset and development, and increasing evidence suggests that linker histone H1 variants may serve as biomarkers useful for patient stratification, as well as play an important role as drivers in cancer. Although traditio...
ORGANISM(S): Mus musculus (Mouse) 
2021-03-16 | PXD020537 | Pride
Proteomics Mass spectrometry Label-free quantification Epigenetics Linker histone h1 Laser micro-dissection 
MetabolomicsgeoRge: A Computational Tool To Detect the Presence of Stable Isotope Labeling in LC/MS-Based Untargeted Metabolomics
Studying the flow of chemical moieties through the complex set of metabolic reactions that happen in the cell is essential to understanding the alterations in homeostasis that occur in disease. Recently, LC/MS-based untargeted metabolomics and isotopically labeled metabolites have been used to facil...
2015-09-15 | MTBLS213 | MetaboLights
ProteomicsRobust collection and processing for label-free single voxel proteomics
With advanced mass spectrometry (MS)-based proteomics, genome-scale proteome coverage can be achieved from bulk tissues. However, such bulk measurement lacks spatial resolution and obscures important tissue heterogeneity, which make it impossible for proteome mapping of tissue microenvironment. Here...
ORGANISM(S): Homo Sapiens (human) 
2024-11-01 | PXD045043 | JPOST Repository
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