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Page 1
Statistical analysis of feature-based molecular networking results from non-targeted metabolomics data.
Pakkir Shah AK, Walter A, Ottosson F, Russo F, Navarro-Diaz M, Boldt J, Kalinski JJ, Kontou EE, Elofson J, Polyzois A, González-Marín C, Farrell S, Aggerbeck MR, Pruksatrakul T, Chan N, Wang Y, Pöchhacker M, Brungs C, Cámara B, Caraballo-Rodríguez AM, Cumsille A, de Oliveira F, Dührkop K, El Abiead Y, Geibel C, Graves LG, Hansen M, Heuckeroth S, Knoblauch S, Kostenko A, Kuijpers MCM, Mildau K, Papadopoulos Lambidis S, Portal Gomes PW, Schramm T, Steuer-Lodd K, Stincone P, Tayyab S, Vitale GA, Wagner BC, Xing S, Yazzie MT, Zuffa S, de Kruijff M, Beemelmanns C, Link H, Mayer C, van der Hooft JJJ, Damiani T, Pluskal T, Dorrestein P, Stanstrup J, Schmid R, Wang M, Aron A, Ernst M, Petras D. Pakkir Shah AK, et al. Among authors: heuckeroth s. Nat Protoc. 2024 Sep 20. doi: 10.1038/s41596-024-01046-3. Online ahead of print. Nat Protoc. 2024. PMID: 39304763 Review.
Reproducible mass spectrometry data processing and compound annotation in MZmine 3.
Heuckeroth S, Damiani T, Smirnov A, Mokshyna O, Brungs C, Korf A, Smith JD, Stincone P, Dreolin N, Nothias LF, Hyötyläinen T, Orešič M, Karst U, Dorrestein PC, Petras D, Du X, van der Hooft JJJ, Schmid R, Pluskal T. Heuckeroth S, et al. Nat Protoc. 2024 Sep;19(9):2597-2641. doi: 10.1038/s41596-024-00996-y. Epub 2024 May 20. Nat Protoc. 2024. PMID: 38769143 Review.
On-tissue dataset-dependent MALDI-TIMS-MS2 bioimaging.
Heuckeroth S, Behrens A, Wolf C, Fütterer A, Nordhorn ID, Kronenberg K, Brungs C, Korf A, Richter H, Jeibmann A, Karst U, Schmid R. Heuckeroth S, et al. Nat Commun. 2023 Nov 18;14(1):7495. doi: 10.1038/s41467-023-43298-9. Nat Commun. 2023. PMID: 37980348 Free PMC article.
Comparison of Data-Dependent Acquisition, Data-Independent Acquisition, and Parallel Reaction Monitoring in Trapped Ion Mobility Spectrometry-Time-of-Flight Tandem Mass Spectrometry-Based Lipidomics.
Rudt E, Feldhaus M, Margraf CG, Schlehuber S, Schubert A, Heuckeroth S, Karst U, Jeck V, Meyer SW, Korf A, Hayen H. Rudt E, et al. Among authors: heuckeroth s. Anal Chem. 2023 Jun 27;95(25):9488-9496. doi: 10.1021/acs.analchem.3c00440. Epub 2023 Jun 12. Anal Chem. 2023. PMID: 37307407
Integrative analysis of multimodal mass spectrometry data in MZmine 3.
Schmid R, Heuckeroth S, Korf A, Smirnov A, Myers O, Dyrlund TS, Bushuiev R, Murray KJ, Hoffmann N, Lu M, Sarvepalli A, Zhang Z, Fleischauer M, Dührkop K, Wesner M, Hoogstra SJ, Rudt E, Mokshyna O, Brungs C, Ponomarov K, Mutabdžija L, Damiani T, Pudney CJ, Earll M, Helmer PO, Fallon TR, Schulze T, Rivas-Ubach A, Bilbao A, Richter H, Nothias LF, Wang M, Orešič M, Weng JK, Böcker S, Jeibmann A, Hayen H, Karst U, Dorrestein PC, Petras D, Du X, Pluskal T. Schmid R, et al. Among authors: heuckeroth s. Nat Biotechnol. 2023 Apr;41(4):447-449. doi: 10.1038/s41587-023-01690-2. Nat Biotechnol. 2023. PMID: 36859716 Free PMC article. No abstract available.