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27 March 2025
News
New machine learning model for predicting infrared spectra of ions
I am a PhD candidate in the Molecular Structure and Dynamics research group. My research involves the structural characterisation of (plant) metabolites using mass spectrometry, infrared ion spectroscopy and quantum chemical calculations.
| Label | Content |
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| Research groups | Molecular Structure and Dynamics |
My publications
Rapid On-Site NIR Spectroscopic Characterization of CWA Liquids Using a Novel 3D-Printed Glass Cell
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| Author(s) | Jelle C. de Koning, Marcel J. van der Schans, Lai Fun Chau, Tom Venema, Gert IJ. Salentijn, Saer Samanipour, Gertjan Bon, Henk-Jan Ramaker, Teun van Wieringen, Jos Oomens, Arian C. van Asten |
| Year | 2025 |
| Journal | Analytical Chemistry |
Development of a Robust Platform for Infrared Ion Spectroscopy: A New Addition to the Analytical Toolkit for Enhanced Metabolite Structure Elucidation
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| Label | Content |
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| Author(s) | Teun van Wieringen, Arnaud Lubin, Rianne van Outersterp, Jonathan Martens, Eric van Beelen, Jos Oomens, Filip Cuyckens, Giel Berden |
| Year | 2025 |
| Journal | Analytical Chemistry, Vol 97/Issue 31 |
A Machine-Learned “Chemical Intuition” to Overcome Spectroscopic Data Scarcity
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| Label | Content |
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| Author(s) | Cailum M. K. Stienstra, Teun van Wieringen, Liam Hebert, Patrick Thomas, Kas J. Houthuijs, Giel Berden, Jos Oomens, Jonathan Martens, W. Scott Hopkins |
| Year | 2025 |
| Journal | Journal of Chemical Information and Modeling, Vol 65/Issue 5 |
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