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

E. Ravera, "Phase distortion-free paramagnetic NMR spectra"
J. Magn. Reson.
DOI: 10.1016/j.jmro.2021.100022
Open access: https://www.sciencedirect.com/science/article/pii/S2666441021000133
Raw data: https://www.sciencedirect.com/science/article/pii/S2666441021000133#ecom0001
 https://www.sciencedirect.com/science/article/pii/S2666441021000133#sec0012

D.Rizzo, L. Cerofolini, S. Giuntini, L. Lozzino, C. Pergola, "Epitope Mapping and Binding Assessment by Solid-State NMR Provide a Way for the Development of Biologics under the Quality by Design Paradigm"
J. Am. Chem. Soc
DOI: 10.1021/jacs.2c03232
Open access: https://pubs.acs.org/doi/full/10.1021/jacs.2c03232
Raw data: https://doi.org/10.5281/zenodo.6363169

A. Simion, T. Schubeis, T. Le Marchand, M. Vasilescu, G. Pintacuda, "Heteronuclear decoupling with rotor-synchronized phase-alternated cycles"
J. Chem. Phys
DOI: 10.1063/5.0098135
Open access: https://hal.science/hal-03852887/
Raw data: https://doi.org/10.5281/zenodo.7729371

A. Ventakesh, D. Gioffre, B. A. Atterberry, L. Rochlitz, S. L. Carnahan, "Molecular and Electronic Structure of Isolated Platinum Sites Enabled by the Expedient Measurement of 195Pt Chemical Shift Anisotropy"
J. Am. Chem. Soc
DOI: 10.1021/jacs.2c02300
Open access: https://hal.science/hal-04018980
Raw data: https://doi.org/10.5281/zenodo.6639016

L. Cerofolini, K. O. Ramberg, L. C. Padilla, P. Antonik, E. Ravera, C. Luchinat, M. Fragai, P. B. Crowley, K. O. Ramberg, L. C. Padilla, P. Antonik, E. Ravera, "Solid-state NMR - a complementary technique for protein framework characterization"
Chem. Commun Vol.59, 776-779
DOI: 10.1039/d2cc05725e
Open access: https://pubs.rsc.org/en/content/articlelanding/2023/cc/d2cc05725e
Raw data: https://doi.org/10.5281/zenodo.7713148

Z. R. Wang, L. A. Volker, T. C. Robinson, N. Kaeffer, G. Menzildjian, R. Jabbour, A. Venkatesh, D. Gajan, A. J. Rossini, C. Coperet, A. Lesage, "Speciation and Structures in Pt Surface Sites Stabilized by N-Heterocyclic Carbene Ligands Revealed by Dynamic Nuclear Polarization Enhanced Indirectly Detected 195Pt NMR Spectroscopic Signatures and Fingerprint Analysis"
J. Am. Chem. Soc Vol.144, 21530-21543
DOI: 10.1021/jacs.2c08300
Open access: https://hal.science/hal-04016873
Raw data: https://doi.org/10.5281/zenodo.7701972

S. J. Elliott, B. B. Duff, A. R. Taylor-Hughes, D. J. Cheney, J. P. Corley, S. Paul, A. Brookfield, S. Pawsey; D. Gajan; H. C. Aspinall; A. Lesage; F. Blanc, "Off-the-Shelf Gd(NO3)3 as an Efficient High-Spin Metal Ion Polarizing Agent for Magic Angle Spinning Dynamic Nuclear Polarization"
J. Phys. Chem. B Vol.126, 6281-6289
DOI: 10.1021/acs.jpcb.2c04184
Open access: https://pubs.acs.org/doi/full/10.1021/acs.jpcb.2c04184
Raw data: https://zenodo.org/records/7821526#.ZDahXcHP2z

B. S. de Almeida, D. Torodii, P. Moutzouri and L. Emsley, "Barriers to resolution in 1H NMR of rotating solids"
J. Magn. Reson Vol.357, 107588
DOI: 10.1016/j.jmr.2023.107557
Open access: https://www.sciencedirect.com/science/article/pii/S1090780723001921
Raw data: https://zenodo.org/records/8360147

De Biasi, F.; Hope, M.A.; Avalos, C.E.; Karthikeyan, G.; Casano, G.; Mishra, A.; Badoni, S.; Stevanato, G.; Kubicki, D.; Milani, J.; Ansermet, J.P.; Rossini, A.J.; Lelli, M.; Ouari, O.; Emsley, L, "Optically Enhanced Solid-State 1H NMR Spectroscopy"
J. Am. Chem. Soc Vol.145, 14874-14883, 27
DOI: 10.1021/jacs.3c03937
Open access: https://pubs.acs.org/doi/full/10.1021/jacs.3c03937
Raw data: https://pubs.acs.org/doi/full/10.1021/jacs.3c03937

Eills J, Budker D, Cavagnero S, Chekmenev EY, Elliott SJ, Jannin S, Lesage A, Matysik J, Meersmann T, Prisner T, Reimer JA, Yang H, Koptyug IV., "Spin Hyperpolarization in Modern Magnetic Resonance"
Chem Rev Vol. 22, 1417-1551, 123
DOI: 10.1021/acs.chemrev.2c0053
Open access: https://pubs.acs.org/doi/epdf/10.1021/acs.chemrev.2c00534
Raw data: https://pubs.acs.org/doi/10.1021/acs.chemrev.2c00534?goto=supporting-info

I. B. Moroz, Y. Feldman, R. Carmieli, X. Y. Liu and M. Leskes, "Endogenous metal-ion dynamic nuclear polarization for NMR signal enhancement in metal organic frameworks"
Chemical Science Vol.15, 36-348
DOI: 10.1039/d3sc03456a
Open access: https://pubs.rsc.org/en/content/articlelanding/2024/sc/d3sc03456a
Raw data: https://doi.org/10.34933/b0e533a8-920c-4dc9-b330-527ae57e6d65

P. Moutzouri, M. Cordova, B. Simões de Almeida, D. Torodii, L. Emsley, "Two-dimensional Pure Isotropic Proton Solid State NMR"
Angew. Chem Vol.62, 1-8, 21
DOI: 10.1002/anie.202301963
Open access: https://onlinelibrary.wiley.com/doi/full/10.1002/anie.202301963
Raw data: https://archive.materialscloud.org/record/2023.41

Greve, C.; Ramming, P.; Griesbach, M.; Leupold, N.; Moos, R.; Köhler, A.; Herzig, E. M.; Panzer, F.; Grüninger, H. , "To Stop or to Shuttle Halides? The Role of an Ionic Liquid in Thermal Halide Mixing of Hybrid Perovskites"
ACS Energy Lett
DOI: 10.1021/acsene rgylett.3c01878
Open access: https://hal.science/hal- 04755946
Raw data: https://zenodo.org/rec ords/14104531

R. Shukla, A. J. Peoples, K. C. Ludwig, S. Maity, M. G. N. Derks, S. D. Benedetti, A. M. Krueger, B. J. A. Vermeulen, T. Harbig, F. Lavore, R. Kumar, R. Honorato, F. Grein, K. Nieselt, Y. P. Liu, A. Bonvin, M. Baldus, U. Kubitscheck, E. Breukink, C. Achor, "An antibiotic from an uncultured bacterium binds to an immutable target"
Cell
DOI: 186.10.1016/j.cell.2023.07.038
Open access: https://pubmed.ncbi.nlm.nih.gov/37611581
Raw data: https://zenodo.org/records/7075976

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

Venkatesh, A.; Casano, G.; Rao, Y.; De Biasi, F.; Perras, F. A.; Kubicki, D. J.; Siri, D.; Abel, S.; Karoui, H.; Yulikov, M.; Ouari, O.; Emsley, L, "Deuterated TEKPol Biradicals and the Spin-Diffusion Barrier in MAS DNP"
Angewandte Chemie International edition Vol.63, , 31
DOI: 10.1002/anie.202304844
Open access: https://onlinelibrary.wiley.com/doi/10.1002/anie.202304844
Raw data: https://zenodo.org/records/7955264

Fykouras, K.; Lahnsteiner, J.; Leupold, N.; Tinnemans, P.; Moos, R.; Panzer, F.; Wijs, G. A. de; Bokdam, M.; Grüninger, H.; Kentgens, A. P. M, "Disorder to Order: How Halide Mixing in MAPbI3−xBrx Perovskites Restricts MA Dynamics"
J. Mater. Chem. A
DOI: 10.1039/D2TA0 9069D
Open access: https://pubs.rsc.org/en/content/articlepdf/2023/ta/d2ta09069d
Raw data: https://doi.org/10.34973/f550-9765

?imko, F.; Rakhmatullin, A.; King, G.; Allix, M.; Bessada, C.; Netriov, Z.; Krishnan, D.; Korenko, M, "Cesium Oxo-Fluoro-Aluminates in the CsF-Al2O3 System: Synthesis and Structural Characterization"
Inorg. Chem
DOI: 10.1021/acs.ino rgchem.3c0238 6

Casey, E; Breen, R; Gomez, S, J; Kentgens, P,M, A, Pareras, G; Rimola, A; Holmes, D, J; Collins, G, "Ligand-Aided Glycolysis of PET Using Functionalized Silica-Supported Fe2O3 NanoparticlesACS Sustainable"
Chem. Eng. Vol.11, 1554415555-15555, 43
DOI: 10.1021/acssuschemeng.3c03585
Open access: https://pubs.acs.org/doi/epdf/10.1021/acssuschemeng.3c03585
Raw data: https://doi.org/10.5281/zenodo.11192352

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

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

L. Cerofolini, K. Vasa, E. Bianconi, M. Salobehaj, G. Cappelli, A. Bonciani, G. Licciardi, A. Pérez-Ràfols, L. Padilla-Cortés, S. Antonacci, D. Rizzo, E. Ravera, C. Viglianisi, V. Calderone, G. Parigi, C. Luchinat, A. Macchiarulo, S. Menichetti and M. Fra, "Combining Solid-State NMR with Structural and Biophysical Techniques to Design Challenging Protein-Drug Conjugates"
Angew. Chem. Int. Ed
DOI: 10.1002/anie.202303202
Open access: https://onlinelibrary.wiley.com/doi/pdf/10.1002/anie.202303202
Raw data: https://zenodo.org/records/8020132

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

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/articlelanding/2022/fd/d2fd00127f
Raw data: https://doi.org/10.5281/zenodo.7778251

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

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

Scott, F.J., Eddy, S., Gullion, T., Mentink-Vigier, F., "Sorbitol-Based Glass Matrices Enable Dynamic Nuclear Polarization beyond 200 K"
J. Phys. Chem. Lett
DOI: 10.1021/acs.jpclett.4c02054
Open access: https://pubs.acs.org/doi/abs/10.1021/acs.jpclett.4c02054
Raw data: https://doi.org/10.5281/zenodo.14975876

A. Gabbani, E. Della Latta, A. Mohan, A. Scarperi, X. Y. Li, M. Ruggeri, F. Martini, F. Biccari, M. Kociak, M. Geppi, S. Borsacchi and F. Pineider, "Direct Determination of Carrier Parameters in Indium Tin Oxide Nanocrystals"
Acs Nano
DOI: 10.1021/acsnano.4c02875
Open access: https://pubs.acs.org/doi/10.1021/acsnano.4c02875
Raw data: Pending

Holmes, J.B., Torodii, D., Balodis, M., Cordova, M., Hofstetter, A., Paruzzo, F., Lill, S.O.N., Eriksson, E., Berruyer, P., Almeida, B.S. de, Quayle, M., Norberg, S., Ankarberg, A.S., Schantz, S., Emsley, L, "Atomic-level structure of the amorphous drug atuliflapon via NMR crystallography"
Chem. Sci
DOI: 10.1039/D4FD00078A
Open access: https://pubs.rsc.org/en/content/articlelanding/2024/fd/d4fd00078a
Raw data: https://doi.org/10.24435/materialscloud:9r-b9

Z. Wan, M. Shi, Y. Q. Gong, M. Lucci, J. J. Li, J. H. Zhou, X. L. Yang, M. Lelli, X. He and J. F. Mao, "Multitasking Pharmacophores Support Cabotegravir-Based Long-Acting HIV Pre-Exposure Prophylaxis (PrEP)"
Molecules
DOI: 10.3390/molecules29020376
Open access: https://www.mdpi.com/1420-3049/29/2/376
Raw data: Pending