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Dual UHPLC-HRMS Metabolomics and Lipidomics and Automated Data Processing Workflow for Comprehensive High-Throughput Gut Phenotyping

https://doi.org/10.1021/acs.analchem.2c05371
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Untargeted Metabolomics to Reveal Red versus White Meat–Associated Gut Metabolites in a Prudent and Western Dietary Context
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N-linked glycosite profiling and use of Skyline as a platform for characterization and relative quantification of glycans in differentiating xylem of Populus trichocarpa
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Are we close to defining a metabolomic signature of human obesity? A systematic review of metabolomics studies
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MetaClean: a machine learning-based classifier for reduced false positive peak detection in untargeted LC–MS metabolomics data
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A review on human fecal metabolomics: Methods, applications and the human fecal metabolome database
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Validated comprehensive metabolomics and lipidomics analysis of colon tissue and cell lines
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Impact of storage conditions on the human stool metabolome and lipidome: Preserving the most accurate fingerprint
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Dynamic binning peak detection and assessment of various lipidomics liquid chromatography-mass spectrometry pre-processing platforms
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Comparative evaluation of preprocessing freeware on chromatography/mass spectrometry data for signature discovery
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FLEXiGUT: Rationale for exposomics associations with chronic low-grade gut inflammation
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EIC + , an algorithm for automatic and unsupervised extraction of ion chromatograms in high resolution mass spectrometry
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LC–MS-based holistic metabolic profiling. Problems, limitations, advantages, and future perspectives
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Sample preparation optimization in fecal metabolic profiling
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Rapid LA-REIMS and comprehensive UHPLC-HRMS for metabolic phenotyping of feces
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Mass spectrometry-based fecal metabolome analysis
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XCMS: Processing Mass Spectrometry Data for Metabolite Profiling Using Nonlinear Peak Alignment, Matching, and Identification
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Chromatographic Alignment of ESI-LC-MS Proteomics Data Sets by Ordered Bijective Interpolated Warping
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Development of a Quantitative Metabolomic Approach to Study Clinical Human Fecal Water Metabolome Based on Trimethylsilylation Derivatization and GC/MS Analysis
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CAMERA: An Integrated Strategy for Compound Spectra Extraction and Annotation of Liquid Chromatography/Mass Spectrometry Data Sets
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Assessment of XCMS Optimization Methods with Machine-Learning Performance
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Deep Learning-Assisted Peak Curation for Large-Scale LC-MS Metabolomics
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Paramounter: Direct Measurement of Universal Parameters To Process Metabolomics Data in a “White Box”
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MetEx: A Targeted Extraction Strategy for Improving the Coverage and Accuracy of Metabolite Annotation in Liquid Chromatography–High-Resolution Mass Spectrometry Data
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Validated High Resolution Mass Spectrometry-Based Approach for Metabolomic Fingerprinting of the Human Gut Phenotype
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One Step Forward for Reducing False Positive and False Negative Compound Identifications from Mass Spectrometry Metabolomics Data: New Algorithms for Constructing Extracted Ion Chromatograms and Detecting Chromatographic Peaks
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Holistic Lipidomics of the Human Gut Phenotype Using Validated Ultra-High-Performance Liquid Chromatography Coupled to Hybrid Orbitrap Mass Spectrometry
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AutoTuner: High Fidelity and Robust Parameter Selection for Metabolomics Data Processing
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Deep Learning for the Precise Peak Detection in High-Resolution LC–MS Data
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MSnbase, Efficient and Elegant R-Based Processing and Visualization of Raw Mass Spectrometry Data
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Ultrahigh-Performance Liquid Chromatography–High-Resolution Mass Spectrometry Metabolomics and Lipidomics Study of Stool from Transgenic Parkinson’s Disease Mice Following Immunotherapy
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Skyline for Small Molecules: A Unifying Software Package for Quantitative Metabolomics
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Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating Confidence
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Rapid and Noninvasive Metabonomic Characterization of Inflammatory Bowel Disease
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Metabolomics of Fecal Extracts Detects Altered Metabolic Activity of Gut Microbiota in Ulcerative Colitis and Irritable Bowel Syndrome
inferredcites →https://doi.org/10.1038/nmeth.3959openalex-snapshot
OpenMS: a flexible open-source software platform for mass spectrometry data analysis
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A metabolomics pipeline for the mechanistic interrogation of the gut microbiome
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The fecal metabolome as a functional readout of the gut microbiome
inferredcites →https://doi.org/10.1038/srep42514openalex-snapshot
Untargeted metabolomics of colonic digests reveals kynurenine pathway metabolites, dityrosine and 3-dehydroxycarnitine as red versus white meat discriminating metabolites
inferredcites →https://doi.org/10.1039/b418288jopenalex-snapshot
Measuring the metabolome: current analytical technologies
inferredcites →https://doi.org/10.1039/c8an01219aopenalex-snapshot
Merging metabolomics and lipidomics into one analytical run
inferredcites →https://doi.org/10.1073/pnas.0812874106openalex-snapshot
Metabolomics analysis reveals large effects of gut microflora on mammalian blood metabolites
inferredcites →https://doi.org/10.1074/mcp.r110.000133openalex-snapshot
mzML—a Community Standard for Mass Spectrometry Data
inferredcites →https://doi.org/10.1093/bioinformatics/btab231openalex-snapshot
mzRAPP: a tool for reliability assessment of data pre-processing in non-targeted metabolomics
inferredcites →https://doi.org/10.1093/bioinformatics/btab433openalex-snapshot
peakPantheR, an R package for large-scale targeted extraction and integration of annotated metabolic features in LC–MS profiling datasets
inferredcites →https://doi.org/10.1093/bioinformatics/btn323openalex-snapshot
ProteoWizard: open source software for rapid proteomics tools development
inferredcites →https://doi.org/10.1093/ije/dyab257openalex-snapshot
Cohort Profile Update: Lifelines, a three-generation cohort study and biobank
inferredcites →https://doi.org/10.1093/nar/gkab1062openalex-snapshot
HMDB 5.0: the Human Metabolome Database for 2022
inferredcites →https://doi.org/10.1093/nar/gkx1089openalex-snapshot
HMDB 4.0: the human metabolome database for 2018
inferredcites →https://doi.org/10.1126/science.aad3503openalex-snapshot
Population-level analysis of gut microbiome variation
inferredcites →https://doi.org/10.1186/1471-2105-11-395openalex-snapshot
MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data
inferredcites →https://doi.org/10.1186/1471-2105-9-504openalex-snapshot
Highly sensitive feature detection for high resolution LC/MS
inferredcites →https://doi.org/10.1186/s12859-015-0562-8openalex-snapshot
IPO: a tool for automated optimization of XCMS parameters
inferredcites →https://doi.org/10.1186/s40170-016-0151-yopenalex-snapshot
Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool
inferredcites →https://doi.org/10.1194/jlr.r800095-jlr200openalex-snapshot
Update of the LIPID MAPS comprehensive classification system for lipids
inferredcites →https://doi.org/10.3390/metabo11060364openalex-snapshot
Towards Standards for Human Fecal Sample Preparation in Targeted and Untargeted LC-HRMS Studies
inferredcites →https://doi.org/10.3390/metabo12020137openalex-snapshot
Comprehensive Peak Characterization (CPC) in Untargeted LC–MS Analysis
inferredcites →https://doi.org/10.3390/metabo12020173openalex-snapshot
A Modular and Expandable Ecosystem for Metabolomics Data Annotation in R
inferredcites →https://doi.org/10.3390/metabo12060550openalex-snapshot
A Comprehensive Metabolomics Analysis of Fecal Samples from Advanced Adenoma and Colorectal Cancer Patients

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Offline Two-Dimensional Liquid Chromatography–Mass Spectrometry for Deep Annotation of the Fecal Metabolome Following Fecal Microbiota Transplantation
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Metabolomics reveals alterations in gut-derived uremic toxins and tryptophan metabolism in feline chronic kidney disease
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GUT-DERIVED UREMIC TOXICITY IN LIONS (PANTHERA LEO) WITH CHRONIC KIDNEY DISEASE: A POTENTIAL THERAPEUTIC TARGET?
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Review on analytical technologies and applications in metabolomics
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