PANACEA Publications

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Year  Partner(s) Publications
2025 GOTEBORG
BRUKER
EPFL
Torodii, D.; Holmes, J. B.; Moutzouri, P.; Nilsson Lill, S. O.; Cordova, M.; Pinon, A. C.; Grohe, K.; Wegner, S.; Putra, O. D.; Norberg, S.; Welinder, A.; Schantz, S.; Emsley, L. , "Crystal Structure Validation of Verinurad via Proton-Detected Ultra-Fast MAS NMR and Machine Learning"
Faraday Discuss 143-158
DOI: 10.1039/D4FD00076E
Open access: https://pubs.rsc.org/en/content/articlepdf/2025/fd/d4fd00076e
Raw data: https://archive.materialscloud.org/records/7v74k-sbq73
2025 CRMN
GOTEBORG
EPFL
Soltsov. M; Pinon. A; Aussenac. F; Schlagnitweit. J; Reiter. C; Purea. A; Melzi. R; Engelke. F; Martin. D; Krambeck. S; Biscans. A; Kay. E; Emsley. L; Schantz. S, "1H–19F cross-polarization magic angle spinning dynamic nuclear polarization NMR investigation of advanced pharmaceutical formulations"
J. Mag. Reso Vol.371,
DOI: 10.1016/j.jmr.2024.107827
Open access: https://www.sciencedirect.com/science/article/pii/S1090780724002118?via%3Dihub
Raw data: https://doi.org/10.5281/zenodo.14974977
2025 CRMN
AARHUS
BRUKER
Koppe, J.; Sanders, K. J.; Robinson, T. C.; Lejeune, A. L.; Proriol, D.; Wegner, S.; Purea, A.; Engelke, F.; Clément, R. J.; Grey, C. P.; Pell, A. J.; Pintacuda, G, "Resolving Structures of Paramagnetic Systems in Chemistry and Materials Science by Solid‐State NMR: The Revolving Power of Ultra‐Fast MAS"
Angew Chem Int Ed Vol.64, , 1
DOI: 10.1002/anie.202408704
Open access: https://onlinelibrary.wiley.com/doi/epdf/10.1002/anie.202408704
Raw data: https://zenodo.org/records/11120901
2025 GOTEBORG
EPFL
Holmes, J. B.; Torodii, D.; Balodis, M.; Cordova, M.; Hofstetter, A.; Paruzzo, F.; Nilsson Lill, S. O.; Eriksson, E.; Berruyer, P.; Simões De Almeida, B.; Quayle, M.; Norberg, S.; Ankarberg, A. S.; Schantz, S.; Emsley, L., "Atomic-Level Structure of the Amorphous Drug Atuliflapon via NMR Crystallography. "
. Faraday Discuss 342-354, 255
DOI: 10.1039/D4FD00078A
Open access: https://pubs.rsc.org/en/content/articlepdf/2025/fd/d4fd00078a
Raw data: https://doi.org/10.24435/materialscloud:9r-b9
2025 AARHUS
Afrough. A; Pérez-Mendigorri. M; Vosegaar. T, "Automated Data Processing Workflows for Non-Expert Users of NMR Facilities"
MRC 604-612, 63
DOI: 10.1002/mrc.5540
Open access: https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/epdf/10.1002/mrc.5540
Raw data: https://doi.org/10.5281/zenodo.15163468
2025_MRC.pdf