Pan-European solid-state NMR Infrastructure for Chemistry-Enabling Access.

Chatterjee, S.; Scott, F. J.; Sigurdsson, S. Th.; Venkatesh, A.; Mentink-Vigier, F. , "Indirect Detection of the Protons in and around Biradicals and Their Mechanistic Role in MAS-DNP"
J. Phys. Chem. Lett. Vol.16, 635-641, 2
DOI: 10.1021/acs.jpclett.4c03254
Open access: https://pubs.acs.org/doi/10.1021/acs.jpclett.4c03254
Raw data: https://zenodo.org/uploads/13720289

Chen, C.; Serykh, A.; Kierzkowska, A.; Gajan, D.; Docherty, S.; Yakimov, A.; Abdala, P.; Copéret, C.; Florian, P.; Fedoroc, A.; Müller, C., Alexander I. Serykh, Agnieszka Kierzkowska, David Gajan, Scott R. Docherty, "Reversible transformation of sub-nanometer Ga-based clusters to isolated Ga sites creates active centers for propane dehydrogenation"
Catal. Sci. Technol Vol.14, 379-390
DOI: 10.1039/D3CY01446K
Open access: https://pubs.rsc.org/en/content/articlepdf/2024/cy/d3cy01446k
Raw data: https://zenodo.org/records/13957039
Chen2024 CSA 14 379-390.pdf

Moroz, I. B.; Feldman, Y.; Carmieli, R.; Liu, X.; Leskes, M., "Endogenous Metal-Ion Dynamic Nuclear Polarization for NMR Signal Enhancement in Metal Organic Frameworks"
Chem. Sci. Vol.15, 336-348, 1
DOI: 10.1039/d3sc03456a
Open access: https://pubs.rsc.org/en/content/articlelanding/2024/sc/d3sc03456a
Raw data: https://weizmann.elsevierpure.com/en/datasets/data-for-endogenous-metal-ion-dynamic-nuclear-polarization-for-nm/

F. De Biasi, M. A. Hope, Y. F. Qiu, P. J. Brown, M. Visegrdi, O. Ouari, M. R. Wasielewski and L. Emsley, "Magic Angle Spinning Solid-State13 Photochemically Induced Dynamic Nuclear Polarization by a Synthetic Donor-Chromophore-Acceptor System at 9.4 T."
Journal of Physical Chemistry Letters Vol.15, 5488-5494
DOI: 10.1021/acs.jpclett.4c01121
Open access: https://pubs.acs.org/doi/10.1021/acs.jpclett.4c01121
Raw data: https://zenodo.org/records/11184222

F. De Biasi, G. Karthikeyan, M. Visegrdi, M. Levien, M. A. Hope, P. J. Brown, M. R. Wasielewski, O. Ouari and L. Emsley, "Light-Induced H NMR Hyperpolarization in Solids at 9.4 and 21.1"
T. J. Am. Chem. Soc Vol.146, 19667-19672
DOI: 10.1021/jacs.4c06151
Open access: https://pubs.acs.org/doi/epdf/10.1021/jacs.4c06151
Raw data: https://zenodo.org/records/12685639

S. Jekhmane, M. G. N. Derks, S. Maity, C. J. Slingerland, K. Tehrani, J. Medeiros-Silva, V. Charitou, D. Ammerlaan, C. Fetz, N. A. Consoli, R. V. K. Cochrane, E. J. Matheson, M. van der; Weijde, B. O. W. Elenbaas, F. Lavore, R. Cox, J. H. Lorent, M. Baldu, "Host defence peptide plectasin targets bacterial cell wall precursor lipid II by a calcium-sensitive supramolecular mechanism"
Nature Microbiology
DOI: 10.1038/s41564-024-01696-9
Open access: https://www.nature.com/articles/s41564-024-01696-9
Raw data: https://doi.org/10.5281/zenodo.7985263

W. F. Luo, S. Kim, N. Lempesis, L. Merten, E. Kneschaurek, M. Dankl, V. Carnevali, L. Agosta, V. Slama, Z. Vanorman, M. Siczek, W. Bury, B. Gallant, D. J. Kubicki, M. Zalibera, L. Piveteau, M. Deconinck, L. A. Guerrero-León, A. T. Frei, P. A. Gaina, E. Ca, "From Chalcogen Bonding to S-π Interactions in Hybrid Perovskite Photovoltaics"
Advanced Science
DOI: 10.1002/advs.202405622
Open access: https://onlinelibrary.wiley.com/doi/epdf/10.1002/advs.202405622
Raw data: https://zenodo.org/records/12668415

Perego, J., Daolio, A., Bezuidenhout, C.X., Piva, S., Prando, G., et al., "Solid State Machinery of Multiple Dynamic Elements in a Metal–Organic Framework"
Angewandte Chemie International Edition
DOI: 10.1002/anie.202317094
Open access: https://onlinelibrary.wiley.com/doi/10.1002/anie.202317094
Raw data: https://hal.science/hal-04754231

Badoni, S.; Berruyer, P.; Emsley, L., "Optimal Sensitivity for 1H Detected Relayed DNP of Organic Solids at Fast MAS"
J. Magn. Reson
DOI: 10.1016/j.jmr.2 024.107645
Open access: https://pubs.acs.org/doi/epdf/10.1021/acs.jpca.4c02452?ref=article
Raw data: https://pubs.acs.org/doi/10.1021/acs.jpca.4c02452?goto=supporting-info

S. Badoni, P. Berruyer, L. Niccoli, A. Lesage and L. Emsley, "Maximizing Relayed H Hyperpolarization Transfer by Slow-Fast MAS NMR Spectroscopy"
J. Phys. Chem. A Vol.128, 7005-7012
DOI: 10.1021/acs.jpca.4c02452
Open access: https://pubs.acs.org/doi/epdf/10.1021/acs.jpca.4c02452?ref=article
Raw data: https://pubs.acs.org/doi/10.1021/acs.jpca.4c02452?goto=supporting-info

Venkatesh, A.; Casano, G.; Wei, R.; Rao, Y.; Lingua, H.; Karoui, H.; Yulikov, M.; Ouari, O.; Emsley, L, "Rational Design of Dinitroxide Polarizing Agents for Dynamic Nuclear Polarization to Enhance Overall NMR Sensitivity"
Angew. Chem. Int. Ed. Engl
DOI: doi.org/10.1002 /anie.20231733 7
Open access: https://onlinelibrary.wiley. com/doi/10.1002/anie.202 317337
Raw data: https://zenodo.org/doi /10.5281/zenodo.1047 2538

Bastos, R., Marín-Montesinos, I., Ferreira, S.S., Mentink-Vigier, F., Sardo, M., Mafra, L., Coimbra, M.A., Coelho, E., "Covalent connectivity of glycogen in brewer’s spent yeast cell walls revealed by enzymatic approaches and dynamic nuclear polarization NMR"
Carbohydrate Polymers
DOI: 10.1016/j.carbpol.2023.121475
Open access: https://www.sciencedirect.com/science/article/pii/S0144861723009402
Raw data: https://zenodo.org/records/14000959

Miao, Z.; Scott, F. J.; Van Tol, J.; Bowers, C. R.; Veige, A. S.; Mentink-Vigier, F. , "Soliton Based Dynamic Nuclear Polarization: An Overhauser Effect in Cyclic Polyacetylene at High Field and Room Temperature"
J. Phys. Chem. Lett Vol.15, 3369-3375, 12
DOI: 10.1021/acs.jpclett.3c03591
Open access: https://pubmed.ncbi.nlm.nih.gov/38498927/
Raw data: https://zenodo.org/records/14645908

Steinberg, Y., Sebti, E., Moroz, I.B., et al., "Composition and Structure of the solid electrolyte interphase on Na-Ion Anodes Revealed by Exo- and Endogenous Dynamic Nuclear Polarization─NMR Spectroscopy"
J. Am. Chem. Soc
DOI: 10.1021/jacs.4c06823
Open access: https://pubs.acs.org/doi/10.1021/jacs.4c06823
Raw data: https://doi.org/10.34933/46bd9e52-9e84-4c02-bb5e-e332a6296a7d

Torodii, D.; Holmes, J. B.; Grohe, K.; De Oliveira-Silva, R.; Wegner, S.; Sakellariou, D.; Emsley, L. , "Observation of 1H-1H J-Couplings in Fast Magic-Angle-Spinning Solid-State NMR Spectroscopy"
Nat Commun Vol.15, 10799, 1
DOI: 10.1038/s41467-024-55126-9.
Open access: https://www.nature.com/articles/s41467-024-55126-9
Raw data: https://zenodo.org/records/14186568

Niccoli, L.; Casano, G.; Menzildjian, G.; Yulikov, M.; Robinson, T.; Akrial, S.-E.; Wang, Z.; Reiter, C.; Purea, A.; Siri, D.; Venkatesh, A.; Emsley, L.; Gajan, D.; Lelli, M.; Ouari, O.; Lesage, A., "Efficient DNP at High Fields and Fast MAS with Antenna-Sensitized Dinitroxides"
Chem. Sci
DOI: 10.1039/d4sc04473h
Open access: https://pubs.rsc.org/en/content/articlelanding/2024/sc/d4sc04473h
Raw data: https://www.rsc.org/suppdata/d4/sc/d4sc04473h/d4sc04473h1.pdf

Moroz, I. B.; Katzav, N.; Svirinovsky-Arbeli, A.; Leskes, M. , "A Practical Guide to Metal Ions Dynamic Nuclear Polarization in Materials Science"
Journal of Magnetic Resonance Open Vol.21,
DOI: 10.1016/j.jmro.2024.100173
Open access: https://www.sciencedirect.com/science/article/pii/S2666441024000281?via%3Dihub

Levien, M.; De Biasi, F.; Karthikeyan, G.; Casano, G.; Visegrdi, M.; Ouari, O.; Emsley, L, "Mechanism of Solid-State1 H Photochemically Induced Dynamic Nuclear Polarization in a Synthetic Donor–Chromophore–Acceptor at 0.3 T"
J. Phys. Chem. Lett Vol.15, 11097-11103, 44
DOI: 10.1021/acs.jpclett.4c02805
Open access: https://pubs.acs.org/doi/10.1021/acs.jpclett.4c02805
Raw data: https://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.4c02805/suppl_file/jz4c02805_si_001.pdf

Hundebøl, B. N. R. G.; Rohde, P. D.; Kristensen, T. N.; Jensen, R. W. M.; Vosegaard, T.; Sørensen, J. G., "Bugs on Drugs: Paracetamol Exposure Reveals Genotype-Specific Generational Effects on Life History Traits in Drosophila Melanogaster"
Insects Vol.15, 763, 10
DOI: 10.3390/insects15100763
Open access: https://doi.org/10.3390/insects15100763.
Raw data: https://www.mdpi.com/2075-4450/15/10/763#app1-insects-15-00763

Badoni, S.; Berruyer, P.; Emsley, L. , "Optimal Sensitivity for 1H Detected Relayed DNP of Organic Solids at Fast MAS"
Journal of Magnetic Resonance Vol.360, 107645
DOI: 10.1016/j.jmr.2024.107645
Open access: https://pdf.sciencedirectassets.com/272577/1-s2.0-S1090780724X00038/1-s2.0-S1090780724000296/main.pdf?X-Amz-Security-Token=IQoJb3JpZ2luX2VjECsaCXVzLWVhc3QtMSJGMEQCIDG4bdldRHif5740DtDBTEcG0szuHV0sYr8NyNCBKsmmAiAZW4l3XY7DVcIVr9UMyxgGf0MR5wUPLvNO6CxjhiEErCq8
Raw data: https://www.sciencedirect.com/science/article/pii/S1090780724000296?via%3Dihub

Chatterjee, S.; Venkatesh, A.; Sigurdsson, S. Th.; Mentink-Vigier, F. , "Role of Protons in and around Strongly Coupled Nitroxide Biradicals for Cross-Effect Dynamic Nuclear Polarization."
J. Phys. Chem. Lett. Vol.15, 2160-2168, 8
DOI: 10.1021/acs.jpclett.3c03472
Open access: https://pubs.acs.org/doi/10.1021/acs.jpclett.3c03472
Raw data: https://zenodo.org/records/10463869

Wan, Z.; Shi, M.; Gong, Y.; Lucci, M.; Li, J.; Zhou, J.; Yang, X.-L.; Lelli, M.; He, X.; Mao, J, "Multitasking Pharmacophores Support Cabotegravir-Based Long-Acting HIV Pre-Exposure Prophylaxis (PrEP)."
Molecules Vol.29, 376, 2
DOI: 10.3390/molecules29020376
Open access: https://www.mdpi.com/1420-3049/29/2/376
molecules-2812068-supplementary.pdf

Martnez-Lpez, J. C.; Santos Rodrguez, M.; Oliver Cuenca, V.; Silva Testa, G.; Van Eck, E.; Zhao, E. W.; Lozano, . E.; lvarez, C.; Carretero-Gonzlez, J., "Dibenzodioxin-Based Polymers of Intrinsic Microporosity with Enhanced Transport Properties for Lithium Ions in Aqueous Media"
Macromolecules Vol.57, 9442-9456, 19
DOI: 10.1021/acs.macromol.4c01243
Open access: https://pubs.acs.org/doi/10.1021/acs.macromol.4c01243
Raw data: https://rua.ua.es/entities/publication/e8d4ac47-29f9-4b16-bd9a-bf9216406cb8

Menzildjian, G; Schlagnitweit, J; Casano, G; Ouari, O; Gajan, D; Lesage, A., Judith Schlagnitweit, Gilles Casano, Olivier Ouari, David Gajan, "Polarizing agents for efficient high field DNP solidstate NMR spectroscopy under magic-angle spinning: from design principles to formulation strategies"
Chem". Sci Vol.14, 6120-6148
DOI: 10.1039/D3SC01079A
Open access: https://pubs.rsc.org/en/content/articlepdf/2023/sc/d3sc01079a

Jabbour, R; Ashling, C; Robinson, T; Khan, A; Wisser, D; Berruyer, P; Ghosh, A; Ranscht, A; Keen, D, Christopher W.Ashling, Thomas C.Robinson, Arafat Hossain Khan, Dorothea Wisser, "Unravelling the Molecular Structure and Confining Environment of an Organometallic Catalyst Heterogenized within Amorphous Porous Polymers"
gew. Chem. Int. Ed Vol.62, 1-9, 62
DOI: 10.1002/anie.202310878
Open access: https://onlinelibrary.wiley.com/doi/epdf/10.1002/anie.202310878
Raw data: https://doi.org/10.5281/zenodo.13981693

Poulhazan, A; Baer, A; Daliaho, G; Arnold, A; Browne, D; Hering, L; Archer-Hartmann, S; Pepi, L, Alexander Baer, Gagan Daliaho, Frederic Mentink-Vigier, Alexandre A. Arnold, "Peculiar Phosphonate Modifications of Velvet Worm Slime Revealed by Advanced Nuclear Magnetic Resonance and Mass Spectrometry"
J. Am. Chem. Soc Vol.145, 20749-20754, 38
DOI: 10.1021/jacs.3c06798
Open access: https://pubs.acs.org/doi/abs/10.1021/jacs.3c06798
Raw data: https://zenodo.org/records/13646295

I. Goldberga, N. D. Jensen, C. Combes, F. Mentink-Vigier, X. L. Wang, "17O solid state NMR as a valuable tool for deciphering reaction mechanisms in mechanochemistry: the case study on the 17O-enrichment of hydrated Ca-pyrophosphate biominerals"
Faraday Discuss
DOI: 10.1039/d2fd00127f
Open access: https://pubs.rsc.org/en/content/articlepdf/2023/fd/d2fd00127f
Raw data: https://doi.org/10.5281/zenodo.7778251

Halbritter, T.; Harrabi, R.; Paul, S.; Tol, J. van; Lee, D.; Hediger, S.; Sigurdsson, S. T.; Mentink-Vigier, F.; Paëpe, G. D, R. Harrabi, S. Paul, J. Van Tol, D. Lee, "PyrroTriPol: A Semi-Rigid Trityl-Nitroxide for High Field Dynamic Nuclear Polarization"
Chem. Sci Vol.4 , 3852-3864, 14
DOI: 10.1039/D2SC05880D
Open access: https://pubs.rsc.org/en/content/articlelanding/2023/sc/d2sc05880d
Raw data: https://www.rsc.org/suppdata/d2/sc/d2sc05880d/d2sc05880d1.pdf

Afrough, A., Christensen, N.V., Jensen, R.W.M., Juhl, D.W., Vosegaard, T, "Magic angle spinning effects on longitudinal NMR relaxation: 15N in L-histidine"
AIP Advances.
DOI: 10.1063/5.0177246
Open access: https://arxiv.org/pdf/2310.03029
Raw data: https://doi.org/10.5281/zenodo.8363603

Bravetti. F; Tapmeyer. L; Skorodumov. K; Alig. E; Habermehl. S; Hühn. R; Bordignon. S; Gallo. A; Nervi. C; Chierotti. R. M; Schmidt. M. U, "Leucopterin, the white pigment in butterfly wings: structural analysis by PDF fit, FIDEL fit, Rietveld refinement, solid-state NMR and DFT-D"
IUCrJ Vol.10, , 448
DOI: 10.1107/S2052252523004281
Open access: https://journals.iucr.org/m/issues/2023/04/00/lt5058/index.html
Raw data: https://doi.org/10.1107/S2052252523004281