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Items: 23

1.

Paramagnetic NMR in solution and the solid state.

Pell AJ, Pintacuda G, Grey CP.

Prog Nucl Magn Reson Spectrosc. 2019 Apr;111:1-271. doi: 10.1016/j.pnmrs.2018.05.001. Epub 2018 May 24. Review.

PMID:
31146806
2.

Artefact-free broadband 2D NMR for separation of quadrupolar and paramagnetic shift interactions.

Aleksis R, Carvalho JP, Jaworski A, Pell AJ.

Solid State Nucl Magn Reson. 2019 May 9;101:51-62. doi: 10.1016/j.ssnmr.2019.05.001. [Epub ahead of print]

PMID:
31121358
3.

Synthesis and Physical Properties of the Oxofluoride Cu2(SeO3)F2.

Mitoudi-Vagourdi E, Papawassiliou W, Müllner S, Jaworski A, Pell AJ, Lemmens P, Kremer RK, Johnsson M.

Inorg Chem. 2018 Apr 16;57(8):4640-4648. doi: 10.1021/acs.inorgchem.8b00372. Epub 2018 Apr 3.

PMID:
29613786
4.

Dynamic Nuclear Polarization-Enhanced Biomolecular NMR Spectroscopy at High Magnetic Field with Fast Magic-Angle Spinning.

Jaudzems K, Bertarello A, Chaudhari SR, Pica A, Cala-De Paepe D, Barbet-Massin E, Pell AJ, Akopjana I, Kotelovica S, Gajan D, Ouari O, Tars K, Pintacuda G, Lesage A.

Angew Chem Int Ed Engl. 2018 Jun 18;57(25):7458-7462. doi: 10.1002/anie.201801016. Epub 2018 Apr 27.

PMID:
29566299
5.

Large-Scale Computation of Nuclear Magnetic Resonance Shifts for Paramagnetic Solids Using CP2K.

Mondal A, Gaultois MW, Pell AJ, Iannuzzi M, Grey CP, Hutter J, Kaupp M.

J Chem Theory Comput. 2018 Jan 9;14(1):377-394. doi: 10.1021/acs.jctc.7b00991. Epub 2017 Dec 13.

PMID:
29182320
6.

Low-power broadband solid-state MAS NMR of 14N.

Pell AJ, Sanders KJ, Wegner S, Pintacuda G, Grey CP.

J Chem Phys. 2017 May 21;146(19):194202. doi: 10.1063/1.4983220.

7.

A systematic study of 25Mg NMR in paramagnetic transition metal oxides: applications to Mg-ion battery materials.

Lee J, Seymour ID, Pell AJ, Dutton SE, Grey CP.

Phys Chem Chem Phys. 2016 Dec 21;19(1):613-625. doi: 10.1039/c6cp06338a.

PMID:
27918022
8.

Characterizing Oxygen Local Environments in Paramagnetic Battery Materials via (17)O NMR and DFT Calculations.

Seymour ID, Middlemiss DS, Halat DM, Trease NM, Pell AJ, Grey CP.

J Am Chem Soc. 2016 Aug 3;138(30):9405-8. doi: 10.1021/jacs.6b05747. Epub 2016 Jul 21.

PMID:
27404908
9.

Solid Electrolyte Interphase Growth and Capacity Loss in Silicon Electrodes.

Michan AL, Divitini G, Pell AJ, Leskes M, Ducati C, Grey CP.

J Am Chem Soc. 2016 Jun 29;138(25):7918-31. doi: 10.1021/jacs.6b02882. Epub 2016 Jun 20.

PMID:
27232540
10.

Broadband solid-state MAS NMR of paramagnetic systems.

Pell AJ, Pintacuda G.

Prog Nucl Magn Reson Spectrosc. 2015 Feb;84-85:33-72. doi: 10.1016/j.pnmrs.2014.12.002. Epub 2014 Dec 26.

PMID:
25669740
11.

Rapid proton-detected NMR assignment for proteins with fast magic angle spinning.

Barbet-Massin E, Pell AJ, Retel JS, Andreas LB, Jaudzems K, Franks WT, Nieuwkoop AJ, Hiller M, Higman V, Guerry P, Bertarello A, Knight MJ, Felletti M, Le Marchand T, Kotelovica S, Akopjana I, Tars K, Stoppini M, Bellotti V, Bolognesi M, Ricagno S, Chou JJ, Griffin RG, Oschkinat H, Lesage A, Emsley L, Herrmann T, Pintacuda G.

J Am Chem Soc. 2014 Sep 3;136(35):12489-97. doi: 10.1021/ja507382j. Epub 2014 Aug 18.

12.

Polymorphism and magnetic properties of Li2MSiO4 (M = Fe, Mn) cathode materials.

Bini M, Ferrari S, Ferrara C, Mozzati MC, Capsoni D, Pell AJ, Pintacuda G, Canton P, Mustarelli P.

Sci Rep. 2013 Dec 9;3:3452. doi: 10.1038/srep03452.

13.

Out-and-back 13C-13C scalar transfers in protein resonance assignment by proton-detected solid-state NMR under ultra-fast MAS.

Barbet-Massin E, Pell AJ, Jaudzems K, Franks WT, Retel JS, Kotelovica S, Akopjana I, Tars K, Emsley L, Oschkinat H, Lesage A, Pintacuda G.

J Biomol NMR. 2013 Aug;56(4):379-86. doi: 10.1007/s10858-013-9757-3. Epub 2013 Jun 29.

PMID:
23812971
14.

13C-detected through-bond correlation experiments for protein resonance assignment by ultra-fast MAS solid-state NMR.

Barbet-Massin E, Pell AJ, Knight MJ, Webber AL, Felli IC, Pierattelli R, Emsley L, Lesage A, Pintacuda G.

Chemphyschem. 2013 Sep 16;14(13):3131-7. doi: 10.1002/cphc.201201097. Epub 2013 Apr 15.

PMID:
23589462
15.

Frequency-stepped acquisition in nuclear magnetic resonance spectroscopy under magic angle spinning.

Pell AJ, Clément RJ, Grey CP, Emsley L, Pintacuda G.

J Chem Phys. 2013 Mar 21;138(11):114201. doi: 10.1063/1.4795001.

PMID:
23534632
16.

Spin-transfer pathways in paramagnetic lithium transition-metal phosphates from combined broadband isotropic solid-state MAS NMR spectroscopy and DFT calculations.

Clément RJ, Pell AJ, Middlemiss DS, Strobridge FC, Miller JK, Whittingham MS, Emsley L, Grey CP, Pintacuda G.

J Am Chem Soc. 2012 Oct 17;134(41):17178-85. doi: 10.1021/ja306876u. Epub 2012 Oct 4.

PMID:
23004936
17.

Structure and backbone dynamics of a microcrystalline metalloprotein by solid-state NMR.

Knight MJ, Pell AJ, Bertini I, Felli IC, Gonnelli L, Pierattelli R, Herrmann T, Emsley L, Pintacuda G.

Proc Natl Acad Sci U S A. 2012 Jul 10;109(28):11095-100. doi: 10.1073/pnas.1204515109. Epub 2012 Jun 21.

18.

Combination of DQ and ZQ coherences for sensitive through-bond NMR correlation experiments in biosolids under ultra-fast MAS.

Webber AL, Pell AJ, Barbet-Massin E, Knight MJ, Bertini I, Felli IC, Pierattelli R, Emsley L, Lesage A, Pintacuda G.

Chemphyschem. 2012 Jun 18;13(9):2405-11. doi: 10.1002/cphc.201200099. Epub 2012 Apr 23.

PMID:
22528552
19.

Single crystal nuclear magnetic resonance in spinning powders.

Pell AJ, Pintacuda G, Emsley L.

J Chem Phys. 2011 Oct 14;135(14):144201. doi: 10.1063/1.3640418.

PMID:
22010711
20.

Fast resonance assignment and fold determination of human superoxide dismutase by high-resolution proton-detected solid-state MAS NMR spectroscopy.

Knight MJ, Webber AL, Pell AJ, Guerry P, Barbet-Massin E, Bertini I, Felli IC, Gonnelli L, Pierattelli R, Emsley L, Lesage A, Herrmann T, Pintacuda G.

Angew Chem Int Ed Engl. 2011 Dec 2;50(49):11697-701. doi: 10.1002/anie.201106340. Epub 2011 Oct 13. No abstract available.

PMID:
21998020
21.

Broadband inversion for MAS NMR with single-sideband-selective adiabatic pulses.

Pell AJ, Kervern G, Emsley L, Deschamps M, Massiot D, Grandinetti PJ, Pintacuda G.

J Chem Phys. 2011 Jan 14;134(2):024117. doi: 10.1063/1.3521491.

PMID:
21241090
22.

Two-dimensional J-spectra with absorption-mode lineshapes.

Pell AJ, Keeler J.

J Magn Reson. 2007 Dec;189(2):293-9. Epub 2007 Sep 8.

PMID:
17900950
23.

Broadband proton-decoupled proton spectra.

Pell AJ, Edden RA, Keeler J.

Magn Reson Chem. 2007 Apr;45(4):296-316.

PMID:
17351973

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