1) E. Ravera "Phase distortion-free paramagnetic NMR spectra" J. Magn. Reson. Open 2021, 8-9, 100022.
DOI: 10.1016/j.jmro.2021.100022
Link to the open access publication: https://www.sciencedirect.com/science/article/pii/S2666441021000133
Link to raw data : https://www.sciencedirect.com/science/article/pii/S2666441021000133#ecom0001
(2) D. Rizzo, L. Cerofolini, S. Giuntini, L. Iozzino, C. Pergola, F. Sacco, A. Palmese, E. Ravera, C. Luchinat, F. Baroni, M. Fragai "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. 2022, 144, 10006-10016.
DOI: 10.1021/jacs.2c03232
Link to the open access publication: https://pubs.acs.org/doi/full/10.1021/jacs.2c03232
Link to raw data: https://doi.org/10.5281/zenodo.6363169
(3) A. Simion, T. Schubeis, T. Le Marchand, M. Vasilescu. G. Pintacuda, A. Lesage, C. Filip. "Heteronuclear decoupling with rotor-synchronized phase-alternated cycles" J. Chem. Phys. 2022, 157, 014202.
DOI: 10.1063/5.0098135
Link to the open access publication: https://hal.science/hal-03852887/
Link to raw data : https://doi.org/10.5281/zenodo.7729371
(4) A. Venkatesh, D. Gioffre, B. A. Atterberry, L. Rochlitz, S. L. Carnahan, Z. R. Wang, G. Menzildjian, A. Lesage, C. Coperet, A. J. Rossini "Molecular and Electronic Structure of Isolated Platinum Sites Enabled by the Expedient Measurement of 195Pt Chemical Shift Anisotropy" J. Am. Chem. Soc. 2022, 144, 13511-13525.
DOI: 10.1021/jacs.2c02300
Link to the open access publication: https://hal.science/hal-04018980
Link to raw data : https://doi.org/10.5281/zenodo.6639016
(5) I. Goldberga, N. D. Jensen, C. Combes, F. Mentink-Vigier, X. L. Wang, I. Hung, Z. H. Gan, J. Trebosc, T. X. Metro, C. Bonhomme, C. Gervais and D. Laurencin "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. 2023, 241, 250-265.
DOI: 10.1039/d2fd00127f
Link to the open access publication: https://pubs.rsc.org/en/content/articlelanding/2022/fd/d2fd00127f
Link to raw data : https://doi.org/10.5281/zenodo.7778251
(6) 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 2022, 126, 6281-6289.
DOI: 10.1021/acs.jpcb.2c04184
Link to the open access publication: https://pubs.acs.org/doi/full/10.1021/acs.jpcb.2c04184
Link to raw data : https://zenodo.org/record/7821526 - .ZDahXcHP2z
(7) 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. 2022, 144, 21530−21543.
DOI: 10.1021/jacs.2c08300
Link to the open access publication: https://hal.science/hal-04016873
Link to raw data : https://doi.org/10.5281/zenodo.7701972
(8) 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, 2023.
DOI: 10.1039/D2TA0 9069D
Link to the open access publication: https://pubs.rsc.org/en/co ntent/articlelanding/2023/ ta/d2ta09069d
Link to raw data : Pending [>6 months]
(9) L. Cerofolini, K. O. Ramberg, L. C. Padilla, P. Antonik, E. Ravera, C. Luchinat, M. Fragai, P. B. Crowley "Solid-state NMR - a complementary technique for protein framework characterization" Chem. Commun. 2022, 59, 776-779.
DOI: 10.1039/d2cc05725e
Link to the open access publication: https://pubs.rsc.org/en/content/articlelanding/2023/cc/d2cc05725e
Link to raw data : https://doi.org/10.5281/zenodo.7713148
(10) 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. 2023.
DOI: 10.1063/5.0177246
Link to the open access publication: https://arxiv.org/pdf/2310.03029
Link to raw data : https://doi.org/10.5281/zenodo.8363603
(11) 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, 2023, 10, 448.
DOI: 10.1107/S2052252523004281
Link to the open access publication: https://journals.iucr.org/m/issues/2023/04/00/lt5058/index.html
Link to the raw data: https://doi.org/10.1107/S2052252523004281
(12) 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. 2023, 11, 43, 15544–15555
DOI: 10.1021/acssuschemeng.3c03585
Link to the open access publication: https://pubs.acs.org/doi/epdf/10.1021/acssuschemeng.3c03585
Link to raw data : https://doi.org/10.5281/zenodo.11192352
(13) 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. Fragai, "Combining Solid-State NMR with Structural and Biophysical Techniques to Design Challenging Protein-Drug Conjugates" Angew. Chem. Int. Ed. 2023
DOI: 10.1002/anie.202303202
Link to the open access publication: https://onlinelibrary.wiley.com/doi/pdf/10.1002/anie.202303202
Link to the raw data: https://zenodo.org/records/8020132
(14) 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., 2023,145, 27, 14874–14883.
DOI: 10.1021/jacs.3c03937
Link to the open access publication: https://pubs.acs.org/doi/full/10.1021/jacs.3c03937
Link to the raw data: http://www.doi.org/10.5281/zenodo.8033136
(15) 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. 2023 Feb 22;123(4):1417-1551.
DOI: 10.1021/acs.chemrev.2c0053
Link to the open access publication:https://pubs.acs.org/doi/epdf/10.1021/acs.chemrev.2c00534
Link to raw data : https://pubs.acs.org/doi/10.1021/acs.chemrev.2c00534?goto=supporting-info
(16) Halbritter, T.; Harrabi, R.; Paul, S.; Tol, J. van; Lee, D.; Hediger, S.; Sigurdsson, S. T.; Mentink-Vigier, F.; Paëpe, G. D. “PyrroTriPol: A Semi-Rigid Trityl-Nitroxide for High Field Dynamic Nuclear Polarization”. Chem. Sci. 2023, 14 (14), 3852–3864.
DOI: 10.1039/D2SC05880D
Link to the open access publication: https://pubs.rsc.org/en/content/articlelanding/2023/sc/d2sc05880d
Link to the raw data: https://doi.org/10.1039/D2SC05880D
(17) Jabbour, R; Ashling, C; Robinson, T; Khan, A; Wisser, D; Berruyer, P; Ghosh, A; Ranscht, A; Keen, D."Unravelling the Molecular Structure and Confining Environment of an Organometallic Catalyst Heterogenized within Amorphous Porous Polymers". gew. Chem. Int. Ed. 2023,62, 1-9.
DOI: 10.1002/anie.202310878
Link to the open access publication:https://onlinelibrary.wiley.com/doi/epdf/10.1002/anie.202310878
Link to the raw data: https://doi.org/10.5281/zenodo.13981693
(18) Menzildjian, G; Schlagnitweit, J; Casano, G; Ouari, O; Gajan, D; Lesage, A."Polarizing agents for efficient high field DNP solidstate NMR spectroscopy under magic-angle spinning: from design principles to formulation strategies" Chem". Sci., 2023,14, 6120-6148
DOI: 10.1039/D3SC01079A
Link to the open access publication:https://pubs.rsc.org/en/content/articlepdf/2023/sc/d3sc01079a
Link to the raw data: No data available (review)
(19) 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 2023, 15, 336-348.
DOI: 10.1039/d3sc03456a
Link to the open access publication: https://pubs.rsc.org/en/content/articlelanding/2024/sc/d3sc03456a
Link to the raw data: https://doi.org/10.34933/b0e533a8-920c-4dc9-b330-527ae57e6d65
(20) P. Moutzouri, M. Cordova, B. Simões de Almeida, D. Torodii, L. Emsley, "Two-dimensional Pure Isotropic Proton Solid State NMR" Angew. Chem. Int. Ed. 2023, 62, e202301963; Angew. Chem. 2023, 135, e202301963.
DOI: 10.1002/anie.202301963
Link to open access publication: https://onlinelibrary.wiley.com/doi/full/10.1002/anie.202301963
Link to raw data: https://archive.materialscloud.org/record/2023.41
(21) 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, 2023.
DOI: 10.1021/acsene rgylett.3c01878
Link to open access publication: https://hal.science/hal- 04755946
Link to raw data: https://zenodo.org/rec ords/14104531
(22) Poulhazan, A; Baer, A; Daliaho, G; Arnold, A; Browne, D; Hering, L; Archer-Hartmann, S; Pepi, L."Peculiar Phosphonate Modifications of Velvet Worm Slime Revealed by Advanced Nuclear Magnetic Resonance and Mass Spectrometry" J. Am. Chem. Soc. 2023, 145, 38, 20749–20754
DOI: 10.1021/jacs.3c06798
Link to the open access publication: https://pubs.acs.org/doi/abs/10.1021/jacs.3c06798
Link to the raw data: https://zenodo.org/records/13646295
(23) 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. Achorn, A. Nitti, C. J. Schwalen, A. L. Spoering, L. L. Ling, D. Hughes, M. Lelli, W. H. Roos, K. Lewis, T. Schneider and M. Weingarth, "An antibiotic from an uncultured bacterium binds to an immutable target." Cell, 2023.
DOI: 186.10.1016/j.cell.2023.07.038
Link to the open access publication: https://pubmed.ncbi.nlm.nih.gov/37611581
Link to the raw data: https://zenodo.org/records/7075976
(24) B. S. de Almeida, D. Torodii, P. Moutzouri and L. Emsley, "Barriers to resolution in 1H NMR of rotating solids". J. Magn. Reson. 2023, 357 (2023) 107588.
DOI: 10.1016/j.jmr.2023.107557
Link to open access publication: https://www.sciencedirect.com/science/article/pii/S1090780723001921
Link to the raw data: https://zenodo.org/records/8360147
(25) 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,2023, 62, 31.
DOI: 10.1002/anie.202304844
Link to the open access publication: https://onlinelibrary.wiley.com/doi/10.1002/anie.202304844
Link to the raw data: https://zenodo.org/records/7955264
(26) Šimko, F.; Rakhmatullin, A.; King, G.; Allix, M.; Bessada, C.; Netriová, Z.; Krishnan, D.; Korenko, M. "Cesium Oxo-Fluoro-Aluminates in the CsF-Al2O3 System: Synthesis and Structural Characterization" Inorg. Chem, 2023.
DOI: 10.1021/acs.ino rgchem.3c0238 6
Link to the open access publication: https://hal.science/hal- 04219783v1
Link to the raw data: Pending [>6 months]
(27) 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, 2024.
DOI: 10.1016/j.carbpol.2023.121475
Link to the open access publication: https://www.sciencedirect.com/science/article/pii/S0144861723009402
Link to the raw data: https://zenodo.org/records/14000959
(28) Chen, C.; Serykh, A.; Kierzkowska, A.; Gajan, D.; Docherty, S.; Yakimov, A.; Abdala, P.; Copéret, C.; Florian, P.; Fedoroc, A.; Müller, C. "Reversible transformation of sub-nanometer Ga-based clusters to isolated Ga sites creates active centers for propane dehydrogenation". Catal. Sci. Technol., 2024, 14, 379-390.
DOI: 10.1039/D3CY01446K
Link to the open access publication: https://pubs.rsc.org/en/content/articlelanding/2024/cy/d3cy01446k
Link to raw data: https://zenodo.org/records/13957039
(29) F. De Biasi, M. A. Hope, Y. F. Qiu, P. J. Brown, M. Visegrádi, 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 2024, 15, 5488-5494.
DOI: 10.1021/acs.jpclett.4c01121
Link to the open access publication: https://pubs.acs.org/doi/10.1021/acs.jpclett.4c01121
Link to raw data: https://zenodo.org/records/11184222
(30) F. De Biasi, G. Karthikeyan, M. Visegrádi, 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. 2024, 146, 19667-19672.
DOI: 10.1021/jacs.4c06151
Link to the open access publication: https://pubs.acs.org/doi/epdf/10.1021/jacs.4c06151
Link to the raw data: https://zenodo.org/records/12685639
(31) 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. Baldus, M. Künzler, M. Lelli, S. A. Cochrane, N. I. Martin, W. H. Roos, E. Breukink and M. Weingarth, "Host defence peptide plectasin targets bacterial cell wall precursor lipid II by a calcium-sensitive supramolecular mechanism." Nature Microbiology 2024, 9.
DOI: 10.1038/s41564-024-01696-9
Link to the open access publication: https://www.nature.com/articles/s41564-024-01696-9
Link to raw data: https://doi.org/10.5281/zenodo.7985263
(32) 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. Carteau, P. Zimmermann, A. Hinderhofer, F. Schreiber, J. E. Moser, Y. Vaynzof, S. Feldmann, J. Y. Seo, U. Rothlisberger and J. V. Milic, "From Chalcogen Bonding to S-π Interactions in Hybrid Perovskite Photovoltaics." Advanced Science, 2024.
DOI: 10.1002/advs.202405622
Link to the open access publication: https://onlinelibrary.wiley.com/doi/epdf/10.1002/advs.202405622
Link to raw data: https://zenodo.org/records/12668415
(33) 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, 2024.
DOI: 10.1002/anie.202317094
Link to the open access publication: https://hal.science/hal-04754231
Link to raw data: https://zenodo.org/records/10075602
(34) 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, 2024, 128, 7005-7012.
DOI: 10.1021/acs.jpca.4c02452
Link to the open access publication: https://pubs.acs.org/doi/epdf/10.1021/acs.jpca.4c02452?ref=article
Link to the raw data: https://pubs.acs.org/doi/10.1021/acs.jpca.4c02452?goto=supporting-info
(35) Badoni, S.; Berruyer, P.; Emsley, L. "Optimal Sensitivity for 1H Detected Relayed DNP of Organic Solids at Fast MAS". J. Magn. Reson, 2024.
DOI: 10.1016/j.jmr.2 024.107645
Link to the open access publication: https://doi.org/10.1016/j.j mr.2024.107645
Link to the raw data: https://doi.org/10.528 1/zenodo.5946982 and https://doi.org/10.528 1/zenodo.10678042
(36) 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, 2024.
DOI: doi.org/10.1002 /anie.20231733 7
Link to the open access publication: https://onlinelibrary.wiley. com/doi/10.1002/anie.202 317337
Link to the raw data: https://zenodo.org/doi /10.5281/zenodo.1047 2538
(37) 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,2024.
DOI: 10.1021/jacs.4c06823
Link to the open access publication: https://pubs.acs.org/doi/10.1021/jacs.4c06823
Link to raw data: Pending [<6 months]
(38) Torodii, D., Holmes, J.B., Moutzouri, P., et al. "Crystal structure validation of verinurad via proton-detected ultra-fast MAS NMR and machine learning"; Faraday Discuss, 2024.
DOI: 10.1039/D4FD00076E
Link to the open access publication: https://pubs.rsc.org/en/content/articlepdf/2024/fd/d4fd00076e
Link to raw data: Pending [<6 months]
(39) 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 2024, 29.
DOI: 10.3390/molecules29020376
Link to the open access publication: https://www.mdpi.com/1420-3049/29/2/376
Link to the raw data: Pending [<6 months]
(40) 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, 2024.
DOI: 10.1039/D4FD00078A
Link to the open access publication: https://pubs.rsc.org/en/content/articlelanding/2024/fd/d4fd00078a
Link to raw data: Pending [<6 months]
(41) 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, 2024, 18, 15139-15153.
DOI: 10.1021/acsnano.4c02875
Link to the open access publication: https://pubs.acs.org/doi/10.1021/acsnano.4c02875
Link to raw data: Pending [<6 months]
(42) Miao, Z; Scott, F. J, Van Tol, J; Bowers, C. R; Veige, A. S; F. Mentink-Vigier."Soliton Based Dynamic Nuclear Polarization: An Overhauser Effect in Cyclic Polyacetylene at High Field and Room Temperature" J. Phys. Chem. Lett.2024, 15, 12, 3369–3375.
DOI: 10.1021/acs.jpclett.3c03591
Link to the open access publication: https://pubs.acs.org/doi/10.1021/acs.jpclett.3c03591
Link to raw data: Pending [<6 months]
(43)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, 2024.
DOI: 10.1021/acs.jpclett.4c02054
Link to the open access publication: https://pubs.acs.org/doi/abs/10.1021/acs.jpclett.4c02054
Link to raw data: Pending [<6 months]
