PUBLICATION LIST

(2014-)

121) Moroz, I.; Lund, A.; Kaushik, M.; Sévery, L.; Gajan, D.; Fedorov, A.; Lesage, A.; Copéret, C. Specific Localization of Aluminum Sites Favors Ethene-to-Propene Conversion on (Al)MCM-41-Supported Ni(II) Single Sites ACS Catal. 2019, in press. (IF=11.384)
120) Azaïs, T.; Von Euw, S.; Ajili, W.; Auzoux-Bordenave, S.; Bertani, P.; Gajan, D.; Emsley, L.; Nassif, N.; Lesage, A. Structural description of surfaces and interfaces in biominerals by DNP SENS Solid State Nucl Magn Reson. 2019, 102, 2-11. (IF=2.02)
119) Parigi, G.; Benda, L.; Ravera, E.; Romanelli, M.; Luchinat, C. Pseudocontact shifts and paramagnetic susceptibility in semiempirical and quantum chemistry theories J. Chem. Phys. 2019, 150. (IF=2.84)
118) Walder, B. J.; Berk, C.; Liao, W. C.; Rossini, A. J.; Schwarzwalder, M.; Pradere, U.; Hall, J.; Lesage, A.; Coperet, C.; Emsley, L. One- and Two-Dimensional High-Resolution NMR from Flat Surfaces ACS Cent. Sci. 2019, 5, 515-523. (IF=12.837)
117) Srb, P.; Svoboda, M.; Benda, L.; Lepsik, M.; Tarabek, J.; Sicha, V.; Gruner, B.; Grantz-Saskova, K.; Brynda, J.; Rezacova, P.; Konvalinka, J.; Veverka, V. Capturing a dynamically interacting inhibitor by paramagnetic NMR spectroscopy Phys. Chem. Chem. Phys. 2019, 21, 5661-5673. (IF=3.91)
116) Lefevre, C.; Panthu, B.; Naville, D.; Guibert, S.; Pinteur, C.; Elena-Herrmann, B.; Vidal, H.; Rautureau, G.; Mey, A. Metabolic Phenotyping of Adipose-Derived Stem Cells Reveals a Unique Signature and Intrinsic Differences between Fat Pads Stem Cells Int. 2019. (IF=6.54)
115) Renom-Carrasco, M.; Mania, P.; Sayah, R.; Veyre, L.; Occhipinti, G.; Gajan, D.; Lesage, A.; Jensen, V. R.; Thieuleux, C. Supported Ru olefin metathesis catalysts viaa thiolate tether Dalton Trans. 2019, 48, 2886-2890. (IF=4.1)
114) Raingeval, C.; Cala, O.; Brion, B.; Le Borgne, M.; Hubbard, R. E.; Krimm, I. 1D NMR WaterLOGSY as an efficient method for fragment-based lead discovery J. Enzyme Inhib. Med. Chem. 2019, in press. (IF=6.26)
113) Li, Y.; He, Y.; Pei, H.; Guo, W.; He, P.; Mi, D.; Krimm, I.; Zhang, Y.; Wang, P.; Wang, X.; Liu, M.; Yi, Z.; Chen, Y. Modification and biological evaluation of a series of 1,5-diaryl-1,2,4-triazole compounds as novel agents against pancreatic cancer metastasis through targeting myoferlin J. Med. Chem. 2019, 62, 4949-4966. (IF=6.26)
112) Bestgen, B.; Krimm, I.; Kufareva, I.; Kamal, A. A. M.; Seetoh, W. G.; Abell, C.; Hartmann, R. W.; Abagyan, R.; Cochet, C.; Le Borgne, M.; Engel, M.; Lomberget, T. 2-Aminothiazole Derivatives as Selective Allosteric Modulators of the Protein Kinase CK2. 1. Identification of an Allosteric Binding Site J. Med. Chem. 2019, 62, 1803-1816. (IF=6.26)
111) Najbauer, E. E.; Movellan, K. T.; Schubeis, T.; Schwarzer, T.; Castiglione, K.; Giller, K.; Pintacuda, G.; Becker, S.; Andreas, L. B. Probing Membrane Protein Insertion into Lipid Bilayers by Solid-State NMR Chemphyschem 2019, 20, 302-310. (IF=3.075)
110) Boudet, J.; Devillier, J. C.; Wiegand, T.; Salmon, L.; Meier, B. H.; Lipps, G.; Allain, F. H. T. A Small Helical Bundle Prepares Primer Synthesis by Binding Two Nucleotides that Enhance Sequence-Specific Recognition of the DNA Template Cell 2019, 176, 154-159. (IF=31.4)
109) Berkson, Z. J.; Hsieh, M.-F.; Smeets, S.; Gajan, D.; Lund, A.; Lesage, A.; Xie, D.; Zones, S. I.; McCusker, L. B.; Baerlocher, C.; Chmelka, B. F. Preferential Siting of Aluminum Heteroatoms in the Zeolite Catalyst Al-SSZ-70 Angew. Chem. Int. Ed. 2019, 5, 628. (IF=12.10)
108) Busi, B.; Yarava, J. R.; Hofstetter, A.; Salvi, N.; Cala-De Paepe, D.; Lewandowski, J. R.; Blackledge, M.; Emsley, L. Probing Protein Dynamics Using Multifield Variable Temperature NMR Relaxation and Molecular Dynamics Simulation J. Phys. Chem. B 2018, 122, 429697-9702
107) Wisser, D.; Karthikeyan, G.; Lund, A.; Casano, G.; Karoui, H.; Yulikov, M.; Menzildjian, G.; Pinon, A. C.; Purea, A.; Engelke, F.; Chaudhari, S. R.; Kubicki, D.; Rossini, A. J.; Moroz, I. B.; Gajan, D.; Coperet, C.; Jeschke, G.; Lelli, M.; Emsley, L.; Lesage, A.; Ouari, O. BDPA-Nitroxide Biradicals Tailored for Efficient Dynamic Nuclear Polarization Enhanced Solid-State NMR at Magnetic Fields up to 21.1 T J. Am. Chem. Soc. 2018, 140, 13340-13349. (IF=14.357)
106) Ferrara, C.; Ferrari, S.; Bini, M.; Capsoni, D.; Pintacuda, G.; Mustarelli, P. To Which Extent Is Paramagnetic Solid-State NMR Able To Address Polymorphism in Complex Transition-Metal Oxides? J. Phys. Chem. Lett. 2018, 9, 6072-6076. (IF=8.71)
105) Baudin, M.; Vuichoud, B.; Bornet, A.; Bodenhausen, G.; Jannin, S. A cryogen-consumption-free system for dynamic nuclear polarization at 9.4 T J. Magn. Reson. 2018, 294, 115-121. (IF=2.43)
104) Paruzzo, F. M.; Stevanato, G.; Halse, M. E.; Schlagnitweit, J.; Mammoli, D.; Lesage, A.; Emsley, L. Refocused linewidths less than 10 Hz in H-1 solid-state NMR J. Magn. Reson. 2018, 293, 41-46. (IF=2.43)
103) Marchanka, A.; Stanek, J.; Pintacuda, G.; Carlomagno, T. Rapid access to RNA resonances by proton-detected solid-state NMR at > 100 kHz MAS Chem. Commun. 2018, 54, 8972-8975. (IF=6.29)
102) Pump, E.; Bendjeriou-Sedjerari, A.; Viger-Gravel, J.; Gajan, D.; Scotto, B.; Samantaray, M. K.; Abou-Hamad, E.; Gurinov, A.; Almaksoud, W.; Cao, Z.; Lesage, A.; Cavallo, L.; Emsley, L.; Basset, J. M. Predicting the DNP-SENS efficiency in reactive heterogeneous catalysts from hydrophilicity Chem. Sci. 2018, 9, 4866-4872. (IF=9.556)
101) Jaudzems, K.; Bertarello, A.; Chaudhari, S. R.; Pica, A.; Cala-De Paepe, D.; Barbet-Massin, E.; Pell, A. J.; Akopjana, I.; Kotelovica, S.; Gajan, D.; Ouari, O.; Tars, K.; Pintacuda, G.; Lesage, A. Dynamic Nuclear Polarization-Enhanced Biomolecular NMR Spectroscopy at High Magnetic Field with Fast Magic-Angle Spinning Angew. Chem. Int. Ed. 2018, 57, 7458-7462. (IF=12.1)
100) Cavailles, M.; Bornet, A.; Jaurand, X.; Vuichoud, B.; Baudouin, D.; Baudin, M.; Veyre, L.; Bodenhausen, G.; Dumez, J. N.; Jannin, S.; Coperet, C.; Thieuleux, C. Tailored Microstructured Hyperpolarizing Matrices for Optimal Magnetic Resonance Imaging Angew. Chem. Int. Ed. 2018, 57, 7453-7457. (IF=12.1)
99) Igonet, S.; Raingeval, C.; Cecon, E.; Pucic-Bakovic, M.; Lauc, G.; Cala, O.; Baranowski, M.; Perez, J.; Jockers, R.; Krimm, I.; Jawhari, A. Enabling STD-NMR fragment screening using stabilized native GPCR: A case study of adenosine receptor Sci Rep. 2018, 8. (IF=4.12)
98) Benda, L.; Doistau, B.; Hasenknopf, B.; Vives, G. Synthesis and Guest Recognition of Switchable Pt-Salphen Based Molecular Tweezers Molecules 2018, 23. (IF=3.10)
97) Sanders, K. J.; Pell, A. J.; Wegner, S.; Grey, C. P.; Pintacuda, G. Broadband MAS NMR spectroscopy in the low-power limit Chem. Phys. Lett. 2018, 697, 29-37. (IF=1.86)
96) Loquet, A.; El Mammeri, N.; Stanek, J.; Berbon, M.; Bardiaux, B.; Pintacuda, G.; Habenstein, B. 3D structure determination of amyloid fibrils using solid-state NMR spectroscopy Methods 2018, 138, 26-38. (IF=3.503)
95) Le Marchand, T.; de Rosa, M.; Salvi, N.; Sala, B. M.; Andreas, L. B.; Barbet-Massin, E.; Sormanni, P.; Barbiroli, A.; Porcari, R.; Mota, C. S.; de Sanctis, D.; Bolognesi, M.; Emsley, L.; Bellotti, V.; Blackledge, M.; Camilloni, C.; Pintacuda, G.; Ricagno, S. Conformational dynamics in crystals reveal the molecular bases for D76N beta-2 microglobulin aggregation propensity Nat. Commun. 2018, 9. (IF=12.35)
94) Elliott, S. J.; Meier, B.; Vuichoud, B.; Stevanato, G.; Brown, L. J.; Alonso-Valdesueiro, J.; Emsley, L.; Jannin, S.; Levitt, M. H. Hyperpolarized long-lived nuclear spin states in monodeuterated methyl groups Phys. Chem. Chem. Phys. 2018, 20, 9755-9759. (IF=3.91)
93) Wisser, F. M.; Berruyer, P.; Cardenas, L.; Mohr, Y.; Quadrelli, E. A.; Lesage, A.; Farrusseng, D.; Canivet, J. Hammett Parameter in Microporous Solids as Macroligands for Heterogenized Photocatalysts ACS Catal. 2018, 8, 1653-1661. (IF=11.384)
92) Kryshtafovych, A.; Albrecht, R.; Basle, A.; Bule, P.; Caputo, A. T.; Carvalho, A. L.; Chao, K. L.; Diskin, R.; Fidelis, K.; Fontes, C.; Fredslund, F.; Gilbert, H. J.; Goulding, C. W.; Hartmann, M. D.; Hayes, C. S.; Herzberg, O.; Hill, J. C.; Joachimiak, A.; Kohring, G. W.; Koning, R. I.; Lo Leggio, L.; Mangiagalli, M.; Michalska, K.; Moult, J.; Najmudin, S.; Nardini, M.; Nardone, V.; Ndeh, D.; Nguyen, T. H.; Pintacuda, G.; Postel, S.; van Raaij, M. J.; Roversi, P.; Shimon, A.; Singh, A. K.; Sundberg, E. J.; Tars, K.; Zitzmann, N.; Schwede, T. Target highlights from the first post-PSI CASP experiment (CASP12, May-August 2016) Proteins 2018, 86, 27-50. (IF=2.5)
91) Salmon, L.; Stull, F.; Sayle, S.; Cato, C.; Akgul, S.; Foit, L.; Ahlstrom, L. S.; Eisenmesser, E. Z.; Al-Hashimi, H. M.; Bardwell, J. C. A.; Horowitz, S. The Mechanism of HdeA Unfolding and Chaperone Activation J. Mol. Biol. 2018, 430, 33-40. (IF=4.89)
90) Panthu, B.; Ohlmann, T.; Perrier, J.; Schlattner, U.; Jalinot, P.; Elena-Herrmann, B.; Rautureau, G. J. P. Cell-Free Protein Synthesis Enhancement from Real-Time NMR Metabolite Kinetics: Redirecting Energy Fluxes in Hybrid RRL Systems ACS Synth Biol. 2018, 7, 218-226. (IF=5.38)
89) Ji, X.; Can, T. V.; Mentink-Vigier, F.; Bornet, A.; Milani, J.; Vuichoud, B.; Caporini, M. A.; Griffin, R. G.; Jannin, S.; Goldman, M.; Bodenhausen, G. Overhauser effects in non-conducting solids at 1.2 K J. Magn. Reson. 2018, 286, 138-142. (IF=2.43)
88) Hofmann, D.; Salmon, L.; Wider, G. Activity of Tumor Necrosis Factor alpha Is Modulated by Dynamic Conformational Rearrangements J. Am. Chem. Soc. 2018, 140, 167-175. (IF=14.357)
87) Retel, J. S.; Nieuwkoop, A. J.; Hiller, M.; Higman, V. A.; Barbet-Massin, E.; Stanek, J.; Andreas, L. B.; Franks, W. T.; van Rossum, B. J.; Vinothkumar, K. R.; Handel, L.; de Palma, G. G.; Bardiaux, B.; Pintacuda, G.; Emsley, L.; Kuhlbrandt, W.; Oschkinat, H. Structure of outer membrane protein G in lipid bilayers Nat. Commun. 2017, 8. (IF=12.35)
86) Struppe, J.; Quinn, C. M.; Lu, M. M.; Wang, M. Z.; Hou, G. J.; Lu, X. Y.; Kraus, J.; Andreas, L. B.; Stanek, J.; Lalli, D.; Lesage, A.; Pintacuda, G.; Maas, W.; Gronenborn, A. M.; Polenova, T. Expanding the horizons for structural analysis of fully protonated protein assemblies by NMR spectroscopy at MAS frequencies above 100 kHz Solid State Nucl. Magn. Reson. 2017, 87, 117-125. (IF=2.02)
85) Otikovs, M.; Andersson, M.; Jia, Q. P.; Nordling, K.; Meng, Q.; Andreas, L. B.; Pintacuda, G.; Johansson, J.; Rising, A.; Jaudzems, K. Degree of Biomimicry of Artificial Spider Silk Spinning Assessed by NMR Spectroscopy Angew. Chem. Int. Ed. 2017, 56, 12571-12575. (IF=12.1)
84) Cala-De Paepe, D.; Stanek, J.; Jaudzems, K.; Tars, K.; Andreas, L. B.; Pintacuda, G. Is protein deuteration beneficial for proton detected solid-state NMR at and above 100 kHz magic-angle spinning? Solid State Nucl Magn Reson. 2017, 87, 126-136. (IF=2.02)
83) Lalli, D.; Idso, M. N.; Andreas, L. B.; Hussain, S.; Baxter, N.; Han, S.; Chmelka, B. F.; Pintacuda, G. Proton-Based Structural Analysis of a Heptahelical Transmembrane Protein in Lipid Bilayers J. Am. Chem. Soc. 2017, 139, 13006-13012. (IF=14.357)
82) Al-Johani, H.; Abou-Hamad, E.; Jedidi, A.; Widdifield, C. M.; Viger-Gravel, J.; Sangaru, S. S.; Gajan, D.; Anjum, D. H.; Ould-Chikh, S.; Hedhili, M. N.; Gurinov, A.; Kelly, M. J.; El Eter, M.; Cavallo, L.; Emsley, L.; Basset, J. M. The structure and binding mode of citrate in the stabilization of gold nanoparticles Nat. Chem. 2017, 9, 890-895. (IF=25.87)
81) Mohandas, J. C.; Abou-Hamad, E.; Callens, E.; Samantaray, M. K.; Gajan, D.; Gurinov, A.; Ma, T.; Ould-Chikh, S.; Hoffman, A. S.; Gates, B. C.; Basset, J. M. From single-site tantalum complexes to nanoparticles of TaxNy and TaOxNy supported on silica: elucidation of synthesis chemistry by dynamic nuclear polarization surface enhanced NMR spectroscopy and X-ray absorption spectroscopy Chem. Sci. 2017, 8, 5650-5661. (IF=9.556)
80) Dumez, J. N.; Vuichoud, B.; Mammoli, D.; Bornet, A.; Pinon, A. C.; Stevanato, G.; Meier, B.; Bodenhausen, G.; Jannin, S.; Levitt, M. H. Dynamic Nuclear Polarization of Long-Lived Nuclear Spin States in Methyl Groups J. Phys. Chem. Lett. 2017, 8, 3549-3555. (IF=8.71)
79) Chaudhari, S. R.; Wisser, D.; Pinon, A. C.; Berruyer, P.; Gajan, D.; Tordo, P.; Ouari, O.; Reiter, C.; Engelke, F.; Coperet, C.; Lelli, M.; Lesage, A.; Emsley, L. Dynamic Nuclear Polarization Efficiency Increased by Very Fast Magic Angle Spinning J. Am. Chem. Soc. 2017, 139, 10609-10612. (IF=14.357)
78) Viger-Gravel, J.; Berruyer, P.; Gajan, D.; Basset, J. M.; Lesage, A.; Tordo, P.; Ouari, O.; Emsley, L. Frozen Acrylamide Gels as Dynamic Nuclear Polarization Matrices Angew. Chem. Int. Ed. 2017, 56, 8726-8730. (IF=12.1)
77) Pinon, A. C.; Schlagnitweit, J.; Berruyer, P.; Rossini, A. J.; Lelli, M.; Socie, E.; Tang, M. X.; Pham, T.; Lesage, A.; Schantz, S.; Emsley, L. Measuring Nano- to Microstructures from Relayed Dynamic Nuclear Polarization NMR J. Phys. Chem. C 2017, 121, 15993-16005. (IF=4.48)
76) Doistau, B.; Benda, L.; Cantin, J. L.; Chamoreau, L. M.; Ruiz, E.; Marvaud, V.; Hasenknopf, B.; Vives, G. Six States Switching of Redox-Active Molecular Tweezers by Three Orthogonal Stimuli J. Am. Chem. Soc. 2017, 139, 9213-9220. (IF=14.357)
75) Delley, M. F.; Lapadula, G.; Nunez-Zarur, F.; Comas-Vives, A.; Kalendra, V.; Jeschke, G.; Baabe, D.; Walter, M. D.; Rossini, A. J.; Lesage, A.; Emsley, L.; Maury, O.; Coperet, C. Local Structures and Heterogeneity of Silica-Supported M(III) Sites Evidenced by EPR, IR, NMR, and Luminescence Spectroscopies J. Am. Chem. Soc. 2017, 139, 8855-8867. (IF=14.357)
74) Silverio, D. L.; van Kalkeren, H. A.; Ong, T. C.; Baudin, M.; Yulikov, M.; Veyre, L.; Berruyer, P.; Chaudhari, S.; Gajan, D.; Baudouin, D.; Cavailles, M.; Vuichoud, B.; Bornet, A.; Jeschke, G.; Bodenhausen, G.; Lesage, A.; Emsley, L.; Jannin, S.; Thieuleux, C.; Coperet, C. Tailored Polarizing Hybrid Solids with Nitroxide Radicals Localized in Mesostructured Silica Walls Helv. Chim. Acta 2017, 100. (IF=1.14)
73) Krimm, I. Identifying Protein Allosteric Transitions for Drug Discovery with 1D NMR Chemmedchem 2017, 12, 901-904. (IF=3.225)
72) Jain, M. G.; Lalli, D.; Stanek, J.; Gowda, C.; Prakash, S.; Schwarzer, T. S.; Schubeis, T.; Castiglione, K.; Andreas, L. B.; Madhu, P. K.; Pintacuda, G.; Agarwal, V. Selective H-1-H-1 Distance Restraints in Fully Protonated Proteins by Very Fast Magic-Angle Spinning Solid-State NMR J. Phys. Chem. Lett. 2017, 8, 2399-2405. (IF=8.71)
71) Bertarello, A.; Schubeis, T.; Fuccio, C.; Ravera, E.; Fragai, M.; Parigi, G.; Emsley, L.; Pintacuda, G.; Luchinat, C. Paramagnetic Properties of a Crystalline Iron-Sulfur Protein by Magic-Angle Spinning NMR Spectroscopy Inorg. Chem. 2017, 56, 6624-6629. (IF=4.7)
70) Pell, A. J.; Sanders, K. J.; Wegner, S.; Pintacuda, G.; Grey, C. P. Low-power broadband solid-state MAS NMR of N-14 J. Chem. Phys. 2017, 146. (IF=2.84)
69) Yarava, J. R.; Chaudhari, S. R.; Rossini, A. J.; Lesage, A.; Emsley, L. Solvent suppression in DNP enhanced solid state NMR J. Magn. Reson. 2017, 277, 149-153. (IF=2.43)
68) Salvi, N.; Salmon, L.; Blackledge, M. Dynamic Descriptions of Highly Flexible Molecules from NMR Dipolar Couplings: Physical Basis and Limitations J. Am. Chem. Soc. 2017, 139, 5011-5014. (IF=14.357)
67) George, N. C.; Brgoch, J.; Pell, A. J.; Cozzan, C.; Jaffe, A.; Dantelle, G.; Llobet, A.; Pintacuda, G.; Seshadri, R.; Chmelka, B. F. Correlating Local Compositions and Structures with the Macroscopic Optical Properties of Ce3+-Doped CaSc2O4, an Efficient Green-Emitting Phosphor Chem. Mater. 2017, 29, 3538-3546. (IF=10.159)
66) Chaudhari, S. R.; Griffin, J. M.; Broch, K.; Lesage, A.; Lemaur, V.; Dudenko, D.; Olivier, Y.; Sirringhaus, H.; Emsley, L.; Grey, C. P. Donor-acceptor stacking arrangements in bulk and thin-film high-mobility conjugated polymers characterized using molecular modelling and MAS and surface-enhanced solid-state NMR spectroscopy Chem. Sci. 2017, 8, 3126-3136. (IF=9.556)
65) Saurel, O.; Iordanov, I.; Nars, G.; Demange, P.; Le Marchand, T.; Andreas, L. B.; Pintacuda, G.; Milon, A. Local and Global Dynamics in Klebsiella pneumoniae Outer Membrane Protein a in Lipid Bilayers Probed at Atomic Resolution J. Am. Chem. Soc. 2017, 139, 1590-1597. (IF=14.357)
64) Burcher, B.; Sanders, K. J.; Benda, L.; Pintacuda, G.; Jeanneau, E.; Danopoulos, A. A.; Braunstein, P.; Olivier-Bourbigou, H.; Breuil, P. A. R. Straightforward Access to Stable, 16-Valence-Electron Phosphine-Stabilized Fe Olefin Complexes and Their Reactivity Organometallics 2017, 36, 605-613. (IF=3.86)
63) Brownbill, N. J.; Gajan, D.; Lesage, A.; Emsley, L.; Blanc, F. Oxygen-17 dynamic nuclear polarisation enhanced solid-state NMR spectroscopy at 18.8 T Chem. Commun. 2017, 53, 2563-2566. (IF=6.29)
62) Pump, E.; Viger-Gravel, J.; Abou-Hamad, E.; Samantaray, M. K.; Hamzaoui, B.; Gurinov, A.; Anjum, D. H.; Gajan, D.; Lesage, A.; Bendjeriou-Sedjerari, A.; Emsley, L.; Basset, J. M. Reactive surface organometallic complexes observed using dynamic nuclear polarization surface enhanced NMR spectroscopy Chem. Sci. 2017, 8, 284-290. (IF=9.556)
61) Milani, J.; Vuichoud, B.; Bornet, A.; Melzi, R.; Jannin, S.; Bodenhausen, G. Hyperpolarization of nitrogen-15 nuclei by cross polarization and dissolution dynamic nuclear polarization Rev. Sci. Instrum. 2017, 88. (IF=1.43)
60) Liao, W. C.; Ong, T. C.; Gajan, D.; Bernada, F.; Sauvee, C.; Yulikov, M.; Pucino, M.; Schowner, R.; Schwarzwalder, M.; Buchmeiser, M. R.; Jeschke, G.; Tordo, P.; Ouari, O.; Lesage, A.; Emsley, L.; Coperet, C. Dendritic polarizing agents for DNP SENS Chem. Sci. 2017, 8, 416-422. (IF=9.556)
59) Ji, X.; Bornet, A.; Vuichoud, B.; Milani, J.; Gajan, D.; Rossini, A. J.; Emsley, L.; Bodenhausen, G.; Jannin, S. Transportable hyperpolarized metabolites Nat. Commun. 2017, 8. (IF=12.35)
58) Gruning, W. R.; Bieringer, H.; Schwarzwalder, M.; Gajan, D.; Bornet, A.; Vuichoud, B.; Milani, J.; Baudouin, D.; Veyre, L.; Lesage, A.; Jannin, S.; Bodenhausen, G.; Thieuleux, C.; Coperet, C. Phenylazide Hybrid-Silica - Polarization Platform for Dynamic Nuclear Polarization at Cryogenic Temperatures Helv. Chim. Acta 2017, 100. (IF=1.14)
57) Berruyer, P.; Lelli, M.; Conley, M. P.; Silverio, D. L.; Widdifield, C. M.; Siddiqi, G.; Gajan, D.; Lesage, A.; Coperet, C.; Emsley, L. Three-Dimensional Structure Determination of Surface Sites J. Am. Chem. Soc. 2017, 139, 849-855. (IF=14.357)
56) Stanek, J.; Andreas, L. B.; Jaudzems, K.; Cala, D.; Lalli, D.; Bertarello, A.; Schubeis, T.; Akopjana, I.; Kotelovica, S.; Tars, K.; Pica, A.; Leone, S.; Picone, D.; Xu, Z. Q.; Dixon, N. E.; Martinez, D.; Berbon, M.; El Mammeri, N.; Noubhani, A.; Saupe, S.; Habenstein, B.; Loquet, A.; Pintacuda, G. NMR Spectroscopic Assignment of Backbone and Side-Chain Protons in Fully Protonated Proteins: Microcrystals, Sedimented Assemblies, and Amyloid Fibrils Angew. Chem. Int. Ed. 2016, 55, 15503-15509. (IF=12.1)
55) Baudouin, D.; van Kalkeren, H. A.; Bornet, A.; Vuichoud, B.; Veyre, L.; Cavailles, M.; Schwarzwalder, M.; Liao, W. C.; Gajan, D.; Bodenhausen, G.; Emsley, L.; Lesage, A.; Jannin, S.; Coperet, C.; Thieuleux, C. Cubic three-dimensional hybrid silica solids for nuclear hyperpolarization Chem. Sci. 2016, 7, 6846-6850. (IF=9.556)
54) Todorova, T. K.; Rozanska, X.; Gervais, C.; Legrand, A.; Ho, L. N.; Berruyer, P.; Lesage, A.; Emsley, L.; Farrusseng, D.; Canivet, J.; Mellot-Draznieks, C. Molecular Level Characterization of the Structure and Interactions in Peptide-Functionalized Metal-Organic Frameworks Chem. Eur. J. 2016, 22, 16531-16538. (IF=5.16)
53) Kurzbach, D.; Weber, E. M. M.; Jhajharia, A.; Cousin, S. F.; Sadet, A.; Marhabaie, S.; Canet, E.; Birlirakis, N.; Milani, J.; Jannin, S.; Eshchenko, D.; Hassan, A.; Melzi, R.; Luetolf, S.; Sacher, M.; Rossire, M.; Kempf, J.; Lohman, J. A. B.; Weller, M.; Bodenhausen, G.; Abergel, D. Dissolution dynamic nuclear polarization of deuterated molecules enhanced by cross-polarization J. Chem. Phys. 2016, 145. (IF=2.84)
52) Benda, L.; Mares, J.; Ravera, E.; Parigi, G.; Luchinat, C.; Kaupp, M.; Vaara, J. Pseudo-Contact NMR Shifts over the Paramagnetic Metalloprotein CoMMP-12 from First Principles Angewandte Chemie International Edition 2016, 55, 14713-14717. (IF=12.1)
51) Vuichoud, B.; Bornet, A.; de Nanteuil, F.; Milani, J.; Canet, E.; Ji, X.; Mieville, P.; Weber, E.; Kurzbach, D.; Flamm, A.; Konrat, R.; Gossert, A. D.; Jannin, S.; Bodenhausen, G. Filterable Agents for Hyperpolarization of Water, Metabolites, and Proteins Chem. Eur. J. 2016, 22, 14696-14700. (IF=5.16)
50) Shishovs, M.; Rumnieks, J.; Diebolder, C.; Jaudzems, K.; Andreas, L. B.; Stanek, J.; Kazaks, A.; Kotelovica, S.; Akopjana, I.; Pintacuda, G.; Koning, R. I.; Tars, K. Structure of AP205 Coat Protein Reveals Circular Permutation in ssRNA Bacteriophages J. Mol. Biol. 2016, 428, 4267-4279. (IF=4.89)
49) Vuichoud, B.; Canet, E.; Milani, J.; Bornet, A.; Baudouin, D.; Veyre, L.; Gajan, D.; Emsley, L.; Lesage, A.; Coperet, C.; Thieuleux, C.; Bodenhausen, G.; Koptyug, I.; Jannin, S. Hyperpolarization of Frozen Hydrocarbon Gases by Dynamic Nuclear Polarization at 1.2 K J. Phys. Chem. Lett. 2016, 7, 3235-3239. (IF=8.71)
48) D'Anna, V.; Norsic, S.; Gajan, D.; Sanders, K.; Pell, A. J.; Lesage, A.; Monteil, V.; Coperet, C.; Pintacuda, G.; Sautet, P. Structural Characterization of the EtOH-TiCl4-MgCl2 Ziegler-Natta Precatalyst J. Phys. Chem. C 2016, 120, 18075-18087. (IF=4.48)
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40) Bornet, A.; Maucourt, M.; Deborde, C.; Jacob, D.; Milani, J.; Vuichaud, B.; Ji, X.; Dumez, J. N.; Moing, A.; Bodenhausen, G.; Jannin, S.; Giraudeau, P. Highly Repeatable Dissolution Dynamic Nuclear Polarization for Heteronuclear NMR Metabolomics Anal. Chem. 2016, 88, 6179-6183. (IF=6.32)
39) Alphazan, T.; Mathey, L.; Schwarzwalder, M.; Lin, T. H.; Rossini, A. J.; Wischert, R.; Enyedi, V.; Fontaine, H.; Veillerot, M.; Lesage, A.; Emsley, L.; Veyre, L.; Martin, F.; Thieuleux, C.; Coperet, C. Monolayer Doping of Silicon through Grafting a Tailored Molecular Phosphorus Precursor onto Oxide-Passivated Silicon Surfaces Chem. Mater. 2016, 28, 3634-3640. (IF=10.159)
38) Ong, T. C.; Liao, W. C.; Mougel, V.; Gajan, D.; Lesage, A.; Emsley, L.; Coperet, C. Atomistic Description of Reaction Intermediates for Supported Metathesis Catalysts Enabled by DNP SENS Angew. Chem. Int. Ed. 2016, 55, 4743-4747. (IF=12.1)
37) Chinthalapalli, S.; Bornet, A.; Carnevale, D.; Jannin, S.; Bodenhausen, G. Homonuclear decoupling for spectral simplification of carbon-13 enriched molecules in solution-state NMR enhanced by dissolution DNP Phys. Chem. Chem. Phys. 2016, 18, 11480-11487. (IF=3.91)
36) Chaudhari, S. R.; Berruyer, P.; Gajan, D.; Reiter, C.; Engelke, F.; Silverio, D. L.; Coperet, C.; Lelli, M.; Lesage, A.; Emsley, L. Dynamic nuclear polarization at 40 kHz magic angle spinning Phys. Chem. Chem. Phys. 2016, 18, 10616-10622. (IF=3.91)
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33) Comas-Vives, A.; Furman, K.; Gajan, D.; Akatay, M. C.; Lesage, A.; Ribeiro, F. H.; Coperet, C. Predictive morphology, stoichiometry and structure of surface species in supported Ru nanoparticles under H-2 and CO atmospheres from combined experimental and DFT studies Phys. Chem. Chem. Phys. 2016, 18, 1969-1979. (IF=3.91)
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31) Andreas, L. B.; Reese, M.; Eddy, M. T.; Gelev, V.; Ni, Q. Z.; Miller, E. A.; Emsley, L.; Pintacuda, G.; Chou, J. J.; Griffin, R. G. Structure and Mechanism of the Influenza A M218-60) Dimer of Dimers J. Am. Chem. Soc. 2015, 137, 14877-14886. (IF=14.357)
30) Pinon, A. C.; Rossini, A. J.; Widdifield, C. M.; Gajan, D.; Emsley, L. Polymorphs of Theophylline Characterized by DNP Enhanced Solid-State NMR Mol. Pharm. 2015, 12, 4146-4153. (IF=4.556)
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20) Eddy, M. T.; Su, Y. C.; Silvers, R.; Andreas, L.; Clark, L.; Wagner, G.; Pintacuda, G.; Emsley, L.; Griffin, R. G. Lipid bilayer-bound conformation of an integral membrane beta barrel protein by multidimensional MAS NMR J. Biomol. NMR. 2015, 61, 299-310. (IF=2.53)
19) ten Brink, T.; Aguirre, C.; Exner, T. E.; Krimm, I. Performance of Protein-Ligand Docking with Simulated Chemical Shift Perturbations J. Chem. Inf. Model. 2015, 55, 275-283. (IF=3.76)
18) Nieuwkoop, A. J.; Franks, W. T.; Rehbein, K.; Diehl, A.; Akbey, U.; Engelke, F.; Emsley, L.; Pintacuda, G.; Oschkinat, H. Sensitivity and resolution of proton detected spectra of a deuterated protein at 40 and 60 kHz magic-angle-spinning J. Biomol. NMR. 2015, 61, 161-171. (IF=2.53)
17) Lelli, M.; Rossini, A. J.; Casano, G.; Ouari, O.; Tordo, P.; Lesage, A.; Emsley, L. Hydrophobic radicals embedded in neutral surfactants for dynamic nuclear polarization of aqueous environments at 9.4 Tesla Chem. Commun. 2014, 50, 10198-10201. (IF=6.29)
16) Kubicki, D. J.; Rossini, A. J.; Purea, A.; Zagdoun, A.; Ouari, O.; Tordo, P.; Engelke, F.; Lesage, A.; Emsley, L. Amplifying Dynamic Nuclear Polarization of Frozen Solutions by Incorporating Dielectric Particles J. Am. Chem. Soc. 2014, 136, 15711-15718. (IF=14.357)
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