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Machine Learning Approaches for Compositional Fluid Analysis in Logging While Drilling Using Near-Infrared Data2025 SPE Annual Technical Conference and Exhibition conference-paper Chemistry Spectroscopy and Chemometric Analyses
Wolfgang Weinzierl, Philipp Schapotschnikow, J. Denninger, Eick Niemeyer, Alina Adams, Ansgar Cartellieri
0citations -
Translating community-wide spectral library into actionable chemical knowledge: a proof of concept with monoterpene indole alkaloids2025 Journal of Cheminformatics article Chemistry Mass Spectrometry Techniques and Applications Open access
Sarah Szwarc, Adriano Rutz, Kyungha Lee, Yassine M. Mejri, Olivier Bonnet, Hazrina Hazni, +18 more
7citations -
Hidden molecular relationships are revealed by bootstrap resampling of mass spectral pairs with SpecReBoot2026 bioRxiv (Cold Spring Harbor Laboratory) preprint Chemistry Mass Spectrometry Techniques and Applications Open access
Esteban Charria‐Girón, Laura Rosina Torres-Ortega, Joelle Mergola Greef, Yasmina Marín-Felix, Nelson Caicedo, Frank Surup, +2 more
1citations -
A semi-automated hybrid HPLC-MS approach for in-depth characterization of intact non-covalent heterodimer glycoforms of gonadotropin biopharmaceuticals2023 Analytica Chimica Acta article Chemistry Mass Spectrometry Techniques and Applications Open access
Fiammetta Di Marco, Gabriele Blümel, Constantin Blöchl, Manfred Wuhrer, Christian G. Huber
3citations -
Disentangling the Effect of Pressure and Mixing on a Mechanochemical Bromination Reaction by Solid‐State NMR Spectroscopy**2022 Chemistry - A European Journal article Chemistry Advanced NMR Techniques and Applications Open access
Ettore Bartalucci, Christian Schumacher, Leeroy Hendrickx, Francesco Puccetti, Igor d’Anciães Almeida Silva, Rıza Dervişoğlu, +3 more
30citations -
Na 2 C 3 O 2 : The First Crystalline Compound with the Elusive − C≡C−COO − Anion2024 Angewandte Chemie International Edition article Chemistry Inorganic Chemistry and Materials Open access
Markus Krüger, A. Lamann-Glees, Sean S. Sebastian, Renée Siegel, Jürgen Senker, Jan Hempelmann, +2 more
3citations -
Tracing the origin of paracetamol tablets by near-infrared, mid-infrared, and nuclear magnetic resonance spectroscopy using principal component analysis and linear discriminant analysis2021 Analytical and Bioanalytical Chemistry article Chemistry Spectroscopy and Chemometric Analyses Open access
Alexander Becht, Curd Schollmayer, Yulia Borisovna Monakhova, Ulrike Holzgrabe
16citations -
compareMS2 2.0: An Improved Software for Comparing Tandem Mass Spectrometry Datasets2022 Journal of Proteome Research article Chemistry Advanced Proteomics Techniques and Applications Open access
Rob Marissen, Madhushri Shrikant Varunjikar, Jeroen F. J. Laros, Josef Daniel Rasinger, Benjamin A. Neely, Magnus Palmblad
10citations -
Database on Certified Reference Materials measured with PAT tools for validation and verification purposes2023 Zenodo (CERN European Organization for Nuclear Research) dataset Chemistry Spectroscopy and Chemometric Analyses Open access
Janique Hupperetz, Nicole M.M. Meulendijks, Daniel Mann, Luc Leufkens, Ad Gerich, Carl C. L. Schuurmans, +6 more
1citations -
Database on Certified Reference Materials measured with PAT tools for validation and verification purposes2023 Zenodo (CERN European Organization for Nuclear Research) dataset Chemistry Spectroscopy and Chemometric Analyses Open access
Janique Hupperetz, Nicole M.M. Meulendijks, Daniel Mann, Luc Leufkens, Ad Gerich, Carl C. L. Schuurmans, +6 more
0citations -
Interlaboratory Study for Characterizing Monoclonal Antibodies by Top-Down and Middle-Down Mass Spectrometry2020 Journal of the American Society for Mass Spectrometry article Chemistry Mass Spectrometry Techniques and Applications Open access
Kristina Srzentić, Luca Fornelli, Yury O. Tsybin, Joseph A. Loo, Henrique S. Seckler, Jeffrey N. Agar, +54 more
130citations -
Modular and Selective Arylation of Aryl Germanes (C−GeEt 3 ) over C−Bpin, C−SiR 3 and Halogens Enabled by Light‐Activated Gold Catalysis2020 Angewandte Chemie International Edition article Chemistry Radical Photochemical Reactions Open access
Grant J. Sherborne, Avetik G. Gevondian, Ignacio Funes‐Ardoiz, Amit Dahiya, Christoph Fricke, Franziska Schoenebeck
115citations