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Analytical Chemistry

Working Paper

Bridging targeted (Zeno MRM-HR) and untargeted (SWATH) LC-MS in a single run for sensitive high-resolution exposomics.

Vinicius Verri Hernandes, Benedikt Warth

Version 2 posted 01 July 2024

473

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Agriculture and Food Chemistry

Working Paper

Differentiation of Truffle Species (Tuber spp.) by 1H NMR Spectroscopy and support vector machine

Thorsten Mix, Jasmin Janneschütz, Markus Fischer, Thomas Hackl

Version 1 posted 01 August 2023

262

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1

Citations

Biological and Medicinal Chemistry

Working Paper

Discovering life’s directed metabolic (sub)paths to interpret biochemical markers using the DSMN

Denise Slenter, M. Kutmon, Chris T. Evelo, Egon L. Willighagen

Version 2 posted 21 April 2023

271

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Analytical Chemistry

Working Paper

Point-of-care applicable metabotyping using biofluid-specific electrospun MetaSAMP®s directly amenable to ambient ionization mass spectrometry

Margot De Spiegeleer, Vera Plekhova, Jozefien Geltmeyer, Ella Schoolaert, Beata Pomian, Varoon Singh, Kathleen Wijnant, Kimberly Dewindt, Volter Paukku, Alexander De Loof, Inge Gies, Nathalie Michels, Stefaan De Henauw, Marilyn De Graeve, Karen De Clerck, Lynn Vanhaecke

Version 2 posted 24 April 2023

232

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Analytical Chemistry

Working Paper

UmetaFlow: An untargeted metabolomics workflow for high-throughput data processing and analysis

Eftychia Eva Kontou, Axel Walter, Oliver Alka, Julianus Pfeuffer, Timo Sachsenberg, Omkar S. Mohite, Matin Nuhamunada, Oliver Kohlbacher, Tilmann Weber

Version 3 posted 06 March 2023

1,171

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Analytical Chemistry

Working Paper

A Dual UHPLC-HRMS-Based Fecal Metabolomics and Lipidomics Analysis and Automated Data Processing Pipeline for Comprehensive Gut Phenotyping

Pablo Vangeenderhuysen, Jasmien Van Arnhem, Beata Pomian, Marilyn De Graeve, Lindsey De Commer, Gwen Falony, Jeroen Raes, Alexandra Zhernakova, Jingyuan Fu, Lieselot Y. Hemeryck, Lynn Vanhaecke

Version 2 posted 18 January 2023

1,236

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Analytical Chemistry

Working Paper

Emergence of molecular structures from repository-scale self-supervised learning on tandem mass spectra

Roman Bushuiev, Anton Bushuiev, Raman Samusevich, Corinna Brungs, Josef Sivic, Tomáš Pluskal

Version 2 posted 23 April 2024

1,594

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1

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Analytical Chemistry

Working Paper

Detection of Metabolite-Protein Interactions in Complex Biological Samples by High-Resolution Relaxometry: Towards Interactomics by NMR

Ziqing Wang, Veronica Ghini, Pavel Kaderavek, Simone Pisano, Milan Zachrdla, Philippe Pelupessy, Morgan Kazmierczak, Thorsten Marquardsen, Jean-Max Tyburn, Guillaume Bouvignies, Giacomo Parigi, Claudio Luchinat, Fabien Ferrage

Version 2 posted 01 February 2021

767

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Analytical Chemistry

Working Paper

Addressing Missing Data in GC×GC Metabolomics: Identifying Missingness Type and Evaluating the Impact of Imputation Methods on Experimental Replication

Trenton J. Davis, Tarek R. Firzli, Emily A. Higgins Keppler, Matt Richardson, Heather D. Bean

Version 3 posted 30 May 2022

1,256

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Analytical Chemistry

Working Paper

The molecular effect of wearing silver-threaded clothing on the human skin

Alexey Melnik, Chris Callewaert, Kathleen Dorrestein, Rosie Broadhead, Jeremiah J. Minich, Madeleine Ernst, Greg Humphrey, Gail Ackermann, Rob Gathercole, Alexander A. Aksenov, Rob Knight, Pieter C. Dorrestein

Version 1 posted 08 September 2022

479

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1

Citations

Refine Search

68 results in metabolomics in Keywords: metabolomics

Bridging targeted (Zeno MRM-HR) and untargeted (SWATH) LC-MS in a single run for sensitive high-resolution exposomics.

Differentiation of Truffle Species (Tuber spp.) by 1H NMR Spectroscopy and support vector machine

Discovering life’s directed metabolic (sub)paths to interpret biochemical markers using the DSMN

Point-of-care applicable metabotyping using biofluid-specific electrospun MetaSAMP®s directly amenable to ambient ionization mass spectrometry

UmetaFlow: An untargeted metabolomics workflow for high-throughput data processing and analysis

A Dual UHPLC-HRMS-Based Fecal Metabolomics and Lipidomics Analysis and Automated Data Processing Pipeline for Comprehensive Gut Phenotyping

Emergence of molecular structures from repository-scale self-supervised learning on tandem mass spectra

Detection of Metabolite-Protein Interactions in Complex Biological Samples by High-Resolution Relaxometry: Towards Interactomics by NMR

Addressing Missing Data in GC×GC Metabolomics: Identifying Missingness Type and Evaluating the Impact of Imputation Methods on Experimental Replication

The molecular effect of wearing silver-threaded clothing on the human skin

68 results in Keywords: metabolomics