pNMR – Publications
- Relativistic approximations to paramagnetic NMR chemical shift and shielding anisotropy in transition metal systems
Rouf, S. A. (Syed Awais); Mareš, J. (Jiří); Vaara, J. (Juha)
American Chemical Society 2017 - Magnetic Memory from Site Isolated Dy(III) on Silica Materials
Allouche, F; Lapadula, G; Siddiqi, G; Lukens, WW; Maury, O; Le Guennic, B; Pointillart, F; Dreiser, J; Mougel, V; Cador, O; Copéret, C
eScholarship, University of California ACS Central Science 2017
doi:10.1021/acscentsci.7b00035, pmc:PMC5364447 - Methyl group assignment using pseudocontact shifts with PARAssign
Lescanne, M.; Skinner, S.P.; Blok, A.; Timmer, M.; Cerofolini, L.; Fragai, M.; Luchinat, C.; Ubbink, M.
Springer Netherlands Journal of Biomolecular Nmr 2017
doi:10.1007/s10858-017-0136-3, pmc:PMC5736784 - Pseudo-contact NMR shifts over the paramagnetic metalloprotein CoMMP-12 from first principles
Benda, L. (Ladislav); Mareš, J. (Jiří); Ravera, E. (Enrico); Parigi, G. (Giacomo); Luchinat, C. (Claudio); Kaupp, M. (Martin); Vaara, J. (Juha)
John Wiley & Sons 2016 - Paramagnetic enhancement of nuclear spin–spin coupling
Cherry, P. J. (Peter John); Rouf, S. A. (Syed Awais); Vaara, J. (Juha)
American Chemical Society 2017 - Liquid-state paramagnetic relaxation from first principles
Rantaharju, J. (Jyrki); Vaara, J. (Juha)
American Physical Society 2016 - Broadband solid-state MAS NMR of paramagnetic systems
Pell , Andrew J.; Pintacuda , Guido
Elsevier https://hal.archives-ouvertes.fr/hal-01187390 2015
doi:10.1016/j.pnmrs.2014.12.002 - Electron and nuclear spin polarization in Rb-Xe spin-exchange optical hyperpolarization
Hanni, M. (Matti); Lantto, P. (Perttu); Repiský, M. (Michal); Mareš, J. (Jiří); Saam, B. (Brian); Vaara, J. (Juha)
American Physical Society 2017 - An $ab$ $initio$ CASSCF study of Zero Field Splitting Fluctuations in the Octet Ground State of Aqueous [Gd(III)(HPDO3A)(H$_2$O)]
Khan , Shehryar; Pollet , Rodolphe; Vuilleumier , Rodolphe; Kowalewski , Jozef; Odelius , Michael
American Institute of Physics http://aip.scitation.org/doi/abs/10.1063/1.5010347 2017
doi:10.1063/1.5010347 - Correlating Local Compositions and Structures with the Macroscopic Optical Properties of Ce3+-Doped CaSc2O4, an Efficient Green-Emitting Phosphor
George, Nathan C.; Brgoch, Jakoah; Pell, Andrew J.; Cozzan, Clayton; Jaffe, Adam; Dantelle, Géraldine; Llobet, Anna; Pintacuda, Guido; Seshadri, Ram; Chmelka, Bradley F.
American Chemical Society https://hal.archives-ouvertes.fr/hal-01539898 2017
doi:10.1021/acs.chemmater.6b05394 - Characterization of the Conjugation Pattern in Large Polysaccharide–Protein Conjugates by NMR Spectroscopy
Giuntini, Stefano; Balducci, Evita; Cerofolini, Linda; Ravera, Enrico; Fragai, Marco; Berti, Francesco; Luchinat, Claudio
John Wiley and Sons Inc. Angewandte Chemie (International Ed. in English) 2017
pmc:PMC5813213, doi:10.1002/anie.201709274 - Four-Component Relativistic Density Functional Theory Calculations of NMR Shielding Tensors for Paramagnetic Systems
Komorovsky, Stanislav; Repisky, Michal; Ruud, Kenneth; Malkina, Olga L.; Malkin, Vladimir G.
AMER CHEMICAL SOC 2013
doi:10.1021/jp408389h - Broadband MAS NMR spectroscopy in the low-power limit
Sanders , Kevin ,; Pell , Andrew; Wegner , Sebastian; Grey , Clare; Pintacuda , Guido
Elsevier https://hal.archives-ouvertes.fr/hal-01744691 2018
doi:10.1016/j.cplett.2018.01.028 - Straightforward Access to Stable, 16-Valence-Electron Phosphine-Stabilized Fe Olefin Complexes and Their Reactivity
Burcher , Benjamin; Sanders , Kevin ,; Benda , Ladislav; Pintacuda , Guido; Braunstein , Pierre; Jeanneau , Erwann; Danopoulos , Andreas A.; Olivier-Bourbigou , Hélène; Breuil , Pierre-Alain
American Chemical Society ISSN: 0276-7333 2017
doi:10.1021/acs.organomet.6b00803 - Conformational heterogeneity in multidomain biological systems studied through averaged NMR restraints
Andralojc, Witold Jacek2016 - Paramagnetic Properties of a Crystalline Iron-Sulfur Protein by Magic-Angle Spinning NMR Spectroscopy
Bertarello , Andrea; Schubeis , Tobias; Fuccio , Carmelo; Ravera , Enrico; Fragai , Marco; Parigi , Giacomo; Emsley , Lyndon; Pintacuda , Guido; Luchinat , Claudio
American Chemical Society https://hal.archives-ouvertes.fr/hal-01546469 2017
doi:10.1021/acs.inorgchem.7b00674 - Is protein deuteration beneficial for proton detected solid-state NMR at and above 100 kHz magic-angle spinning?
Cala – De Paepe , Diane; Stanek , Jan; Jaudzems , Kristaps; Tars , Kaspars; Andreas , Loren B; Pintacuda , Guido
Elsevier https://hal.archives-ouvertes.fr/hal-01575517 2017
doi:10.1016/j.ssnmr.2017.07.004 - High-resolution proton-detected NMR of proteins at very fast MAS
Andreas , Loren B; Le Marchand , Tanguy; Jaudzems , Kristaps; Pintacuda , Guido
Elsevier Journal of Magnetic Resonance 2015
doi:10.1016/j.jmr.2015.01.003 - NMR crystallography on paramagnetic systems: Solved and open issues
Bhaumik A.; Luchinat C.; Parigi G.; Ravera E.; Rinaldelli M.
ROYAL SOC CHEMISTRY CrystEngComm 2013
doi:10.1039/c3ce41485j - G-triplex structure and formation propensity
Cerofolini, Linda; Amato, Jussara; Giachetti, Andrea; Limongelli, Vittorio; Novellino, Ettore; Parrinello, Michele; Fragai, Marco; Randazzo, Antonio; Luchinat, Claudio
Oxford University Press Nucleic Acids Research 2014
doi:10.1093/nar/gku1084, pmc:PMC4245950 - 1H-detected solid-state NMR of proteins entrapped in bioinspired silica: a new tool for biomaterials characterization
Ravera, Enrico; Cerofolini, Linda; Martelli, Tommaso; Louka, Alexandra; Fragai, Marco; Luchinat, Claudio
Nature Publishing Group Scientific Reports 2016
doi:10.1038/srep27851, pmc:PMC4899708 - NMR Spectroscopic Assignment of Backbone and Side-Chain Protons in Fully Protonated Proteins: Microcrystals, Sedimented Assemblies, and Amyloid Fibrils
Stanek , Jan; Andreas , Loren B; Jaudzems , Kristaps; Cala , Diane; Lalli , Daniela; Bertarello , Andrea; Schubeis , Tobias; Akopjana , Inara; Kotelovica , Svetlana; Tars , Kaspars; Pica , Andrea; Leone , Serena; Picone , Delia; Xu , Zhi-Qiang; Dixon , Nicholas E.; Martinez , Denis; Berbon , Mélanie; El Mammeri , Nadia; Noubhani , Abdelmajid; Saupe , Sven; Habenstein , Birgit; Loquet , Antoine; Pintacuda , Guido
Wiley-VCH Verlag ISSN: 1433-7851 2016
doi:10.1002/anie.201607084 - Insights into Domain–Domain Motions in Proteins and RNA from Solution NMR
Ravera, Enrico; Salmon, Loïc; Fragai, Marco; Parigi, Giacomo; Al-Hashimi, Hashim; Luchinat, Claudio
American Chemical Society Accounts of Chemical Research 2014
pmc:PMC4204921, doi:10.1021/ar5002318
