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Structure determination of multicomponent crystalline phases of (S)-ibuprofen and l-proline from powder X-ray diffraction data, augmented by complementary experimental and computational techniques.
O. Al Rahal, P. A. Williams, C. E. Hughes, B. M. Kariuki, K. D. M. Harris.
Crystal Growth & Design, 2021, 21, 2498–2507.
DOI: 10.1021/acs.cgd.1c00160

Exploiting in-situ NMR to monitor the formation of a metal-organic framework.
C. L. Jones, C. E. Hughes, H. H.-M. Yeung, A. Paul, K. D. M. Harris, T. L. Easun.
Chemical Science, 2021, 12, 1486–1494.
DOI: 10.1039/D0SC04892E

Recent progress in solid-state nuclear magnetic resonance of half-integer spin low-gamma quadrupolar nuclei applied to inorganic materials
M. E. Smith
Magnetic Resonance in Chemistry. 59, 864–907 (2021)
DOI: 10.1002/mrc.5116

Labeling and Probing the Silica Surface Using Mechanochemistry and 17O NMR Spectroscopy
C.H. Chen, F. Mentink-Vigier, J. Trebosc, I. Goldberga, P. Gaveau, E. Thomassot, D. Iuga, M.E. Smith, K. Z. Chen, Z.H. Gan, N. Fabregue, T.X. Metro, B. Alonso, D. Laurencin
Chem. - Eur. J. 27, 12574–12588 (2021)
DOI: 10.1002/chem.202101421

Li4.3AlS3.3Cl0.7: A Sulfide–Chloride Lithium Ion Conductor with Highly Disordered Structure and Increased Conductivity
Jacinthe Gamon, Matthew S. Dyer, Benjamin B. Duff, Andrij Vasylenko, Luke M. Daniels, Marco Zanella, Michael W. Gaultois, Frédéric Blanc, John B. Claridge, and Matthew J. Rosseinsky
Chemistry of Materials. 33, 8733–8744 (2021)
DOI: 10.1021/acs.chemmater.1c02751

Solid-state nuclear magnetic resonance study of polymorphism in tris(8-hydroxyquinolinate)aluminium
Callum Cross, Luca Cervini, Nathan R. Halcovitch, John M. Griffin
Magnetic Resonance in Chemistry. 59, 1024–1037 (2021)

The Thermal Dehydrofluorination of GaPO-34 Revealed by NMR Crystallography.
D. M. Dawson, L. E. Macfarlane, M. Amri, R. I. Walton and S. E. Ashbrook.
J. Phys. Chem. C 125, 2537–2545 (2021)

A novel multinuclear solid-state NMR approach for the characterization of kidney stones
César Leroy, Laure Bonhomme-Coury, Christel Gervais, Frederik Tielens, Florence Babonneau, Michel Daudon, Dominique Bazin, Emmanuel Letavernier, Danielle Laurencin, Dinu Iuga, John V. Hanna, Mark E. Smith, and Christian Bonhomme
Magn. Reson., 2, 653–671, 2021
DOI: 10.5194/10.5194/mr-2-653-2021

A 43Ca nuclear magnetic resonance perspective onoctacalcium phosphate and its hybrid derivatives Danielle Laurencin, Yang Li, Melinda J. Duer, Dinu Iuga, Christel Gervais, Christian Bonhomme
Magn Reson Chem. 2021;59:1048-1061
DOI: 10.1002/mrc.5149

Solid-State Structural Properties of Alloxazine Determined from Powder XRD Data in Conjunction with DFT-D Calculations and Solid-State NMR Spectroscopy: Unraveling the Tautomeric Identity and Pathways for Tautomeric Interconversion
Christopher J. H. Smalley, Andrew J. Logsdail, Colan E. Hughes, Dinu Iuga, Mark T. Young, and Kenneth D. M. Harris
Crystal Growth & Design 2021 ;
DOI: 10.1021/acs.cgd.1c01114

Synergy of Solid-State NMR, Single-Crystal X-ray Diffraction, and Crystal Structure Prediction Methods: A Case Study of Teriflunomide (TFM).
Tomaz Pawlak, Issac Sugden, Grzegorz Bujacz, Dinu Iuga, Steven P Brown, Marek J Potrzebowski
Cryst. Growth Des. 2021, 21, 3328–3343
DOI: 10.1021/acs.cgd.1c00123

35Cl–1H Heteronuclear correlation magic-angle spinning nuclear magnetic resonance experiments for probing pharmaceutical salts
Iuga, D., Corlett, E. K. & Brown, S. P.
Magn Reson Chem 2021 (published online)

Atomically Dispersed Copper Sites in a Metal−Organic Framework for Reduction of Nitrogen Dioxide
Yujie Ma, Xue Han, Shaojun Xu, Zi Wang, Weiyao Li, Ivan da Silva, Sarayute Chansai, Daniel Lee,* Yichao Zou, Marek Nikiel, Pascal Manuel, Alena M. Sheveleva, Floriana Tuna, Eric J. L. McInnes, Yongqiang Cheng, Svemir Rudic,́Anibal J. Ramirez-Cuesta, Sarah J. Haigh, Christopher Hardacre, Martin Schröder, and Sihai Yang
J. Am. Chem. Soc. 2021, 143, 10977-10985
DOI: 10.1021/jacs.1c03036

Drug–Polymer Interactions in Acetaminophen/Hydroxypropylmethylcellulose Acetyl Succinate Amorphous Solid Dispersions Revealed by Multidimensional Multinuclear Solid-State NMR Spectroscopy
Andrea Pugliese, Michael Toresco, Daniel McNamara, Dinu Iuga, Anuji Abraham, Michael Tobyn, Lucy E. Hawarden, and Frédéric Blanc
Mol. Pharm. 2021, 18, 3519 - 3531
DOI: 10.1021/acs.molpharmaceut.1c00427

Dynamics in Flexible Pillar[n]arenes Probed by Solid-State NMR
Ashlea R. Hughes, Ming Liu, Subhradip Paul, Andrew I. Cooper, and Frédéric Blanc
J. Phys. Chem. C, 2021, 125, 13370 - 13381
DOI: 10.1021/acs.jpcc.1c02046

Characterization of and Structural Insight into Struvite-K, MgKPO4·6H2O, an Analogue of Struvite
Laura J Gardner, Samuel A Walling, Sebastian M Lawson, Shikuan Sun, Susan A Bernal, Claire L Corkhill, John L Provis, David C Apperley, Dinu Iuga, John V Hanna, Neil C Hyatt
Inorganic Chemistry, 2021, 60, 195 - 205
DOI: 10.1021/acs.inorgchem.0c02802

Chemoenzymatic synthesis of fluorinated cellodextrins identifies a new allomorph for cellulose-like materials
Peterson de Andrade, Juan C. Muñoz-García, Giulia Pergolizzi, Valeria Gabrielli, Sergey A. Nepogodiev, Dinu Iuga, László Fábián, Rinat Nigmatullin, Marcus A. Johns, Robert Harniman, Stephen J. Eichhorn, Jesús Angulo, Yaroslav Z Khimyak, Robert A. Field
Chem. Eur. J. 2021, 27, 1374-1382


Long-Term Solar Energy Storage under Ambient Conditions in a MOF-Based Solid−Solid Phase-Change Material
Kieran Griffiths, Nathan R. Halcovitch, John M. Griffin
Chemistry of Materials, 2020, 32, 9925-9936
DOI: 10.1021/acs.chemmater.0c02708

Revealing Intermolecular Hydrogen Bonding Structure and Dynamics in a Deep Eutectic Pharmaceutical by Magic-Angle Spinning NMR Spectroscopy
Mann, S. K., Pham, T. N., McQueen, L. L., Lewandowski, J. R., & Brown, S. P
Mol. Pharm. 2020, 17, 622–631
DOI: 10.1021/acs.molpharmaceut.9b01075

Simultaneous MQMAS NMR Experiments for Two Half-Integer Quadrupolar Nuclei
Samuel J.Page, Angelo Gallo, Steven P.Brown, Józef R.Lewandowski, John V.Hanna, W. Trent Franks
J. Magn. Reson., 2020, 320, 106831
DOI: 10.1016/j.jmr.2020.106831

Toward a Structural Model for the Aluminum Tellurite Glass System
Emma Barney, Nattapol Laorodphan, Faizani Mohd-Noor, Diane Holland, Tom Kemp, Dinu Iuga, Ray Dupree
J. Phys. Chem. C, 2020, 124, 20516-20529
DOI: 10.1021/acs.jpcc.0c04342

Structural heterogeneities in starch hydrogels
Todor T Koev, Juan C Muñoz-García, Dinu Iuga, Yaroslav Z Khimyak, Frederick J Warren
Carbohydrate polymers, 2020, 249, 116834
DOI: 10.1016/j.carbpol.2020.116834

17O NMR spectroscopy as a tool to study hydrogen bonding of cholesterol in lipid bilayers
Lucy J. Rowlands, Adam Marks, John M Sanderson and Robert V. Law
Chem. Communi. 2020, 56, 14499-14502
DOI:DOI: 10.1039/d0cc05466f

Synthesis and Polymorphism of Mixed Aluminium-Gallium Oxide
D. S. Cook, J. E. Hooper, D. M. Dawson, J. M. Fisher, D. Thompsett, S. E. Ashbrook and Richard I. Walton,
Inorg. Chem. 2020, 59, 3805–3816

Following the unusual breathing behaviour of 17O-enriched mixed-metal (Al,Ga)-MIL-53 using NMR crystallography
C. M. Rice, Z. H. Davis, D. McKay, G. P. M. Bignami, R. G. Chitac, D. M. Dawson, R. E. Morris and S. E. Ashbrook
Phys. Chem. Chem. Phys., 2020, 22, 14514-14526

Application of NMR Crystallography to Highly Disordered Templated Materials: Extensive Local Structural Disorder in the Gallophosphate GaPO-34A
S. E. Ashbrook, D. M. Dawson, Z. Gan, J. E. Hooper, I. Hung, L. E. Macfarlane, D. McKay, L. K. McLeod and R. I. Walton.
Inorg. Chem. 2020, 59, 11616–11626.

Improved Understanding of Atomic Ordering in Y4SixAl2-xO9-xNx Materials Using a Combined Solid-State NMR and Computational Approach
V. R. Seymour, J. M. Griffin, B. E. Griffith, S. J. Page, D. Iuga, J. V. Hanna, and M. E. Smith
J. Phys. Chem. C. 2020, 124, 43, 23976–23987.

Physicochemical surface-structure studies of highly active zirconocene polymerisation catalysts on solid polymethylaluminoxane activating supports
Alexander F. R. Kilpatrick, Nicholas H. Ress, Zoe R. Turner, Jean-Charles Buffet and Dermot O'Hare
Mater. Chem. Frontiers 2020, 4, 3226-3233.

First-cycle voltage hysteresis in Li-rich 3d cathodes associated with molecular O2 trapped in the bulk
Robert A. House, Gregory J. Rees, Miguel A. Pérez-Osorio, John-Joseph Marie, Edouard Boivin, Alex W. Robertson, Abhishek Nag, Mirian Garcia-Fernandez, Ke-Jin Zhou & Peter G. Bruce
Nature Energy 2020, 5, 777 - 785.
DOI: 10.1038/s41560-020-00697-2

14N–1H HMQC solid-state NMR as a powerful tool to study amorphous formulations – an exemplary study of paclitaxel loaded polymer micelles
Marvin Grüne, Robert Luxenhofer, Dinu Iuga, Steven P Brown, Ann-Christin Poppler
Mater. Chem. B, 2020, 8, 6827-6836
DOI: 10.1039/d0tb00614a

Measuring multiple 17O–13C J-couplings in naphthalaldehydic acid: a combined solid state NMR and density functional theory approach
Gregory J Rees, Stephen P Day, Kristian E Barnsley, Dinu Iuga, Jonathan R Yates, John D Wallis, John V Hanna
Phys. Chem. Chem. Phys., 2020, 22, 3400-3413
DOI: 10.1039/C9CP03977E

Evolution of structure in the incommensurate modulated LaNb1-xWxO4+x/2 (x = 0.04–0.16) oxide ion conductors
C. Li, S. S. Pramana, R. D. Bayliss, C. P. Grey, F. Blanc, S. J. Skinner
Chem. Mater., 2020, 32, 2292-2303
DOI: 10.1021/acs.chemmater.9b04255

Natural fluorapatite dissolution kinetics and Mn2+ and Cr3+ metal removal T from sulfate fluids at 35 °C
V. Vandeginste, C. Cowan, R. L. Gomes, T. Hassan and J. J. Titman
J. Hazardous Mater., 2020, 389, 122150
DOI: 10.1016/j.jhazmat.2020.122150


Quantifying Microsecond Exchange in Large Protein Complexes with Accelerated Relaxation Dispersion Experiments in the Solid State
Carl Öster, Simone Kosol, and Józef R. Lewandowski
Sci Rep. 2019; 9: 11082
DOI: 10.1038/s41598-019-47507-8

Polymorphism of l-Tryptophan
Al Rahal, Okba; Hughes, Golan E.; Williams, P. Andrew; Logsdail, Andrew J.; Diskin-Posner, Yael; Harris, Kenneth D. M.
DOI: 10.1002/anie.201908247

Computationally Guided Discovery of the Sulfide Li3AlS3 in the Li−Al−S Phase Field: Structure and Lithium Conductivity
Jacinthe Gamon, Benjamin B. Duff, Matthew S. Dyer, Christopher Collins, Luke M. Daniels, T. Wesley Surta, Paul M. Sharp, Michael W. Gaultois, Frédéric Blanc, John Bleddyn Claridge, and Matthew J. Rosseinsky
Chem. Mater. 2019, 31, 9699−9714

Distinguishing between Structural Models of beta '-Sialons Using a Combined Solid-State NMR, Powder XRD, and Computational Approach
Seymour, V. R.; Smith, M. E.
J. Phys. Chem. A 2019, 123, 9729−9736
DOI: 10.1021/acs.jpca.9b06729

Molecular architecture of softwood revealed by solid-state NMR
Oliver M. Terrett, Jan J. Lyczakowski, Li Yu, Dinu Iuga, W. Trent Franks, Steven P. Brown, Ray Dupree and Paul Dupree
Nature Comm, 2019, 10, 4978
DOI: 10.1038/s41467-019-12979-9 

Fast room temperature lability of aluminosilicate zeolites
Christopher J. Heard , Lukas Grajciar , Cameron M. Rice,Suzi M. Pugh, Petr Nachtigall, Sharon E. Ashbrook & Russell E. Morris
Nature Comm, 2019, 10, 4690
DOI: 10.1038/s41467-019-12752-y

Identifying the components of the solid–electrolyte interphase in Li-ion batteries
Luning Wang, Anjali Menakath, Fudong Han, Yi Wang, Peter Y Zavalij, Karen J Gaskell, Oleg Borodin, Dinu Iuga, Steven P Brown, Chunsheng Wang, Kang Xu, Bryan W Eichhorn
Nature Chemistry, 2019, 11, 789-796
DOI: 10.1038/s41557-019-0304-z

Natural abundance solid-state 33S NMR study of NbS3: applications for battery conversion electrodes
David M. Halat, Sylvia Britto, Kent J. Griffith, Erlendur Jo´nsson and Clare P. Grey
Chem. Commun., 2019, 55, 12687
DOI: 10.1039/c9cc06059f

N-14 overtone NMR under MAS: Signal enhancement using cross polarization methods
Concistre, Maria; Kuprov, Ilya; Haies, Ibraheem M.; Williamson, Philip T.; Carravetta, Marina;
Journal of Magnetic Resonance 298 (2019) 1–5
DOI: 10.1016/j.jmr.2018.10.017

Sensitivity improvement in 5QMAS NMR experiments using FAM-N pulses
Nasima Kanwal, Henri Colaux, Daniel M. Dawson, Yusuke Nishiyama and Sharon E. Ashbrook
Solid State Nuclear Magnetic Resonance, 2019, 100, 1
DOI: 10.1016/j.ssnmr.2019.03.002

High molecular weight mixed-linkage glucan as a mechanical and hydration modulator of bacterial cellulose: characterisation by advanced NMR spectroscopy
Juan C Muñoz-Garcia, Kendall R Corbin, Haider Hussain, Valeria Gabrielli, Todor Koev, Dinu Iuga, Andrew N Round, Deirdre Mikkelsen, Patrick A Gunning, Frederick J Warren, Yaroslav Z Khimyak
Biomacromolecules, 2019, 20, 11, 4180-4190
DOI: 10.1021/acs.biomac.9b01070

Interstitial oxide ion conductivity in the langasite structure: carrier trapping by formation of (Ga,Ge)2O8 units in La3Ga5-xGe1+xO14+x/2 (0 < x < 1.5)
M. Diaz-Lopez, J. Felix Shin, M. Li, M. S. Dyer, M. J. Pitcher, J. B. Claridge, F. Blanc, M. J. Rosseinsky
Chemistry of Materials, 2019, 30, 7183-7200
DOI: 10.1021/acs.chemmater.9b01734&nbsp;

Exploiting in-situ solid-state NMR spectroscopy to probe the early stages of hydration of calcium aluminate cement
Hughes, C.E., Walkley, B., Gardner L.J., Walling S.A., Bernal S.A., Iuga, D., Provis, J.L., Harris KDM
Solid State Nuclear Magnetic Resonance, 2019, 99, 1-6
DOI: 10.1016/j.ssnmr.2019.01.003

Quantitative analysis of 14N quadrupolar coupling using 1H detected 14N solid-state NMR
Jarvis, J.A., Concistre, M. , Haies, I.M. , Bounds, R.W. , Kuprov, I. , Carravetta, M. & Williamson, P.T.F
PCCP, 2019, 21, 5941-5949
DOI: 10.1039/c8cp06276e

An expanded MIL-53-type coordination polymer with a reactive pendant ligand
Hannah Kunicki, Thomas W. Chamberlain, Guy J. Clarkson, Reza J. Kashtiban, Joseph E. Hooper,Daniel M. Dawson, Sharon E. Ashbrook and Richard I. Walton
CrystEngComm. 2018, 20, 4355,
DOI: 10.1039/c8ce00891d&nbsp;


Visualization of the effect of additives on the nanostructures of individual bioinspired calcite crystals
J. Ihli, J. N. Clark, N. Kanwal, Y.-Y. Kim, M. Holden, R. J. Harder, C. C. Tang, S. E. Ashbrook, I. K. Robinson and F. C. Meldru
Chemical Science, 2019, 10, 1176 - 1185
DOI: 10.1039/C8SC03733G

Is the 31P Chemical Shift Anisotropy of Aluminophosphates a Useful Parameter for NMR Crystallography?
Daniel M. Dawson Robert F. Moran, Scott Sneddon and Sharon E. Ashbrook
Magn. Reson. Chem., 2019, 57, 176 - 190
DOI: 10.1002/mrc.4788

Aqueous immiscible layered double hydroxides – AIM-LDHs
Kanittika Ruengkajorn, Christopher M. R. Wright, Nicholas H. Rees, Jean-Charles Buffet and Dermot O'Hare
Mater. Chem. Front., 2018, 2, 2277--2285
DOI: 10.1039/c8qm00407b

Establishing the Transitory Existence of Amorphous Phases in Crystallization Pathways by the CLASSIC NMR Technique
Hughes, CE; Williams, PA; Kariuki, BM; Harris, KDM
ChemPhysChem, 19 (2018),24, 3341-3345
DOI: 10.1002/cphc.201800976

A Tautoleptic Approach to Chiral Hydrogen-Bonded Supramolecular Tubular Polymers with Large Cavity
Algirdas Neniskis, Dovile Rackauskaite, Qixun Shi, Aiden J. Robertson, AndrewMarsh, Arturas Ulcinas, Ramunas Valiokas, Steven P. Brown, Kenneth Warnmark, Edvinas Orentas
Chem. Eur. J., 24 (2018), 53, 14028-14033
DOI: 10.1002/chem.201803701

Pushing the limits of sensitivity and resolution for natural abundance 43Ca NMR using ultra-high magnetic field (35.2 T)
Christian Bonhomme, Xiaoling Wang, Ivan Hung, Zhehong Gan, Christel Gervais, Capucine Sassoye, Jessica Rimsza, Jincheng Du, Mark E. Smith,
John V. Hanna, Stephanie Sarda, Pierre Gras, Christele Combes and Danielle Laurencin
Chem. Commun.,2018, 54, 9591--9594
DOI: 10.1039/c8cc05193c

Advanced solid-state NMR methods for characterising structure and self-assembly in supramolecular chemistry, polymers and hydrogels
Steven P. Brown
Current Opinion in Colloid & Interface Science (2018) 33, 86–98
DOI: 10.1016/j.cocis.2018.02.005

High-resolution 1H 2D Magic-angle Spinning Techniques for Organic Solids
Steven Brown
New Developments in NMR 15, "Modern Methods in Solid-state NMR", 2018, 39 - 74
isbn: 978-1-78262-854-5

Direct solid state NMR observation of the 105Pd nucleus in inorganic compounds and palladium metal systems
Thomas J. N. Hooper, Thomas A. Partridge, Gregory J. Rees, Dean S. Keeble, Nigel A. Powell, Mark E. Smith, Iryna P. Mikheenko, Lynne E. Macaskie, Peter T. Bishop and John V. Hanna
Phys. Chem. Chem. Phys., 2018, 20, 26734--26743
DOI: 10.1039/c8cp02594k

A Combined 25Mg Solid-State NMR and Ab Initio DFT Approach to Probe the Local Structural Differences in Magnesium Acetate Phases Mg(CH3COO)2·nH2O (n=0, 1, 4)
Valerie R. Seymour, Stephen P. Day, Gudrun Scholz, Kerstin Scheurell, Dinu Iuga, John M. Griffin, Erhard Kemnitz, John V. Hanna, and Mark E. Smith
ChemPhysChem, 2018, 19, 1–12
DOI: 10.1002/cphc.201800317

1H Line Width Dependence on MAS Speed in Solid State NMR - Comparison of Experiment and Simulation
U. Sternberg, R. Witter, I. Kuprov, J.M. Lamley, A. Oss, J.R. Lewandowski and A. Samoson
J. Magn. Reson. 2018, 219, 32-39
DOI: 10.1016/j.jmr.2018.04.003

Two-dimensional 1H and 1H-detected NMR study of a heterogeneous biocatalyst using fast MAS at high magnetic fields
Sabu Varghese, Peter J. Halling, Daniel Haeussinger, and Stephen Wimperis
Solid State Nuclear Magnetic Resonance, 2018, 92, 7-11
DOI: 10.1016/j.ssnmr.2018.03.003

Cost-effective 17O enrichment and NMR spectroscopy of mixed-metal terephthalate metal–organic frameworks
Giulia PM Bignami, Zachary H Davis, Daniel M Dawson, Samuel A Morris, Samantha E Russell, David McKay, Richard E Parke, Dinu Iuga, Russell E Morris, Sharon E Ashbrook
Chemical Science, 2018, 9, 850-859
DOI: 10.1039/C7SC04649A

17O solid-state NMR spectroscopy of A2B2O7 oxides: quantitative isotopic enrichment and spectral acquisition?
Arantxa Fernandes, Robert F Moran, Scott Sneddon, Daniel M Dawson, David McKay, Giulia PM Bignami, Frédéric Blanc, Karl R Whittle, Sharon E Ashbrook
RSC, Adv. 2018, 8, 7089-7101
DOI: 10.1039/C8RA00596F

A gel aging effect in the synthesis of open-framework gallium phosphates: structure solution and solid-state NMR of a large-pore, open-framework material
Lucy K. Broom, Guy J. Clarkson, Nathalie Guillou, Joseph E. Hooper, Daniel M. Dawson, Chiu C. Tang, Sharon E. Ashbrook and Richard I. Walton
Dalton Transactions, 46 (2017), 16895
DOI: 10.1039/C7DT03709K

Bidirectional band-selective magnetization transfer along the protein backbone doubles the information content of solid-state NMR correlation experiments
M. M. Jolly,· J. A. Jarvis, M. Carravetta, M. H. Levitt, P. T. F. Williamson
J Biomol NMR (2017) 69:197–205
DOI: 10.1007/s10858-017-0147-0


Determination of a complex crystal structure in the absence of single crystals: analysis of powder X-ray diffraction data, guided by solid-state NMR and periodic DFT calculations, reveals a new 2'-deoxyguanosine structural motif
C. E. Hughes, G. N. M. Reddy, S. Masiero, S. P. Brown, P. A. Williams, K. D. M. Harris
Chemical Science, 8, (2017), 3971–3979
DOI: 10.1039/c7sc00587c

"NMR Crystallization": in-situ NMR techniques for time-resolved monitoring of crystallization processes
K. D. M. Harris, C. E. Hughes, P. A. Williams, G. R. Edwards-Gau.
Acta Crystallographica, Section C, C73 (2017), 137–148
DOI: 10.1107/S2053229616019811

Explorations in the dynamics of crystalline solids and the evolution of crystal formation processes
K. D. M. Harris
Israel Journal of Chemistry, 57, (2017), 154–170,
DOI: 10.1002/ijch.201600088

Investigating FAM-N Pulses for Signal Enhancement in MQMAS NMR of Quadrupolar Nuclei
Henri Colaux, Daniel M. Dawson and Sharon E. Ashbrook
Solid-State NMR, 84, (2017), 89–102
DOI: 10.1016/j.ssnmr.2017.01.001

An even pattern of xylan substitution is critical for interaction with cellulose in plant cell walls
Nicholas J. Grantham, Joel Wurman-Rodrich, Oliver M. Terrett, Jan J. Lyczakowski, Katherine Stott, Dinu Iuga, Thomas J. Simmons, Mylene Durand-Tardif, Steven. P. Brown, Ray Dupree, Marta Busse-Wicher, Paul Dupree
Nature Plants, 3, (2017), 859–865
DOI: 10.1038/s41477-017-0030-8

Direct Structural Identification of Carbenium Ions and Investigation of Host-guest Interaction in the Methanol to Olefins Reaction Obtained by Multinuclear NMR Correlations
Dong Xiao, Shutao Xu, Xiuwen Han, Xinhe Bao, Zhongmin Liu, and Frédéric Blanc
Chemical Science, 8, (2017), 8309–8314
DOI: 10.1039/C7SC03657D

A High-Resolution Natural Abundance 33S MAS NMR Study of the Cementitious Mineral Ettringite
A. Sasaki, L. Baquerizo Ibarra and S. Wimperis
Phys. Chem. Chem. Phys., 19 (2017) 24082–24089
DOI: 10.1039/c7cp04435f

Assessing the Detection Limit of a Minority Solid-State Form of a Pharmaceutical by 1H Double-Quantum Magic-Angle Spinning Nuclear Magnetic Resonance Spectroscopy
Keisuke Maruyoshi, Dinu Iuga, Abigail E Watts, Colan E Hughes, Kenneth DM Harris, Steven P Brown
Journal of Pharmaceutical Sciences, 106, (2017), 3372-3377
DOI: 10.1016/j.xphs.2017.07.014

Characterization of protein-protein interfaces in large complexes by solid state NMR solvent paramagnetic relaxation enhancements
Carl Öster, Simone Kosol, Christoph Hartlmüller, Jonathan M Lamley, Dinu Iuga, Andres Oss, Kalju Vanatalu, Ago Samoson, Tobias Madl, Józef R Lewandowski
Journal of the American Chemical Society, 139, (2017), 12165–12174
DOI: 10.1021/jacs.7b03875

In situ solid-state NMR and XRD studies of the ADOR process and the unusual structure of zeolite IPC-6
Samuel A. Morris, Giulia P. M. Bignami, Yuyang Tian, Marta Navarro, Daniel S. Firth, Jiří Čejka, Paul S. Wheatley, Daniel M. Dawson, Wojciech A. Slawinski, David S. Wragg, Russell E. Morris, & Sharon E. Ashbrook,
Nature Chemistry, 9, (2017), 1012–1018
DOI: 10.1038/nchem.2761

Synthesis, Isotopic Enrichment, and Solid-State NMR Characterization of Zeolites Derived from the Assembly, Disassembly, Organization, Reassembly Process
Giulia P. M. Bignami, Daniel M. Dawson, Valerie R. Seymour, Paul S. Wheatley, Russell E. Morris, and Sharon E. Ashbrook
Journal of the American Chemical Society, 139, (2017), 5140–5148
DOI: 10.1021/jacs.7b00386

A Combined NMR Crystallographic and PXRD Investigation of the Structure-Directing Role of Water Molecules in Orotic Acid and its Lithium and Magnesium Salts
A.-C. Pöppler, D. Walker, S. P. Brown
CrystEngComm, 19, (2017), 224–236
DOI: 10.1039/C6CE02101H

Anion exchange dynamics in the capture of perchlorate by a cationic Ag-based MOF
Ian R. Colinas, Kenneth K. Inglis, Frédéric Blanc and Scott R. J. Oliver
Dalton Transactions, 46, (2017), 5320–5325
DOI: 10.1039/C7DT00475C

1H CSA parameters by ultrafast MAS NMR: Measurement and applications to structure refinement
Habeeba K Miah, Rosalie Cresswell, Dinu Iuga, and Jeremy J Titman
Solid State Nuclear Magnetic Resonance, 87, (2017), 67-72
DOI: 10.1016/j.ssnmr.2017.02.002

Structural insights into the polymorphism of bismuth(III) di-n-butyldithiocarbamate by X-ray diffraction, solid-state (13C/15N) CP-MAS NMR and DFT calculations
Vasantha Gowda, Bipul Sarma, Risto S Laitinen, Anna-Carin Larsson, Alexander V Ivanov, Dinu Iuga, Perttu Lantto, Oleg N Antzutkin
Polyhedron, 129, (2017), 123–132
DOI: 10.1016/j.poly.2017.03.018

Localization of Cl-35 nuclei in biological solids using rotational-echo double-resonance experiments
D Iuga, P Rossi, J Herzfeld, RG Griffin
Solid State Nuclear Magnetic Resonance, 82, (2017), 35–41
DOI: 10.1016/j.ssnmr.2017.01.003

Co‐existence of Distinct Supramolecular Assemblies in Solution and in the Solid State
GN Reddy, Aida Huqi, Dinu Iuga, Satoshi Sakurai, Andrew Marsh, Jeffery T Davis, Stefano Masiero, Steven P Brown
Chemistry-A European Journal, 23, (2017), 2315–2322
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High-Resolution Structural Characterization of a Heterogeneous Biocatalyst using Solid-State NMR
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Journal of Physical Chemistry C, 2016, 120, 28717-28726
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Folding of xylan onto cellulose fibrils in plant cell walls revealed by solid-state NMR
Thomas J. Simmons, Jenny C. Mortimer, Oigres D. Bernardinelli, Ann-Christin Pöppler, Steven P. Brown, Eduardo R. deAzevedo, Ray Dupree, Paul Dupree
Nature Communications, 2016, 7, 13902
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La3Li3W2O12: Ionic Diffusion in a Perovskite with Lithium on both A- and B-Sites
Alma B. Santibáñez-Mendieta, Christophe Didier, Kenneth K. Inglis, Alex J. Corkett, Michael J. Pitcher, Marco Zanella, J. Felix Shin, Luke M. Daniels, Aydar Rakhmatullin, Ming Li, Matthew S. Dyer, John B. Claridge, Frédéric Blanc, and Matthew J. Rosseinsky
Chemistry of Materials, 2016, 28, 7833-7851
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Atomic Details of the Interactions of Glycosaminoglycans with Amyloid‑β Fibrils
Katie L. Stewart, Eleri Hughes, Edwin A. Yates,§ Geoffrey R. Akien, Teng-Yi Huang, Marcelo A. Lima, Timothy R. Rudd, Marco Guerrini, Shang-Cheng Hung, Sheena E. Radford, and David A. Middleton
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87Sr, 119Sn, 127I Single and {1H/19F}-Double Resonance Solid-State NMR Experiments: Application to Inorganic Materials and Nanobuilding Blocks
Danielle Laurencin, François Ribot, Christel Gervais, Adrian J. Wright, Annabelle R. Baker, Lionel Campayo, John V. Hanna, Dinu Iuga, Mark E. Smith, Jean-Marie Nedelec, Guillaume Renaudin, Christian Bonhomme
Chemistry Select, 2016, 1, 4509–4519
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Mediation mechanism of tyrosine 185 on the retinal isomerization equilibrium and the proton release channel in the seven-transmembrane receptor bacteriorhodopsin
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Biochimica et Biophysica Acta (BBA)-Bioenergetics, 2016, 1857, 1786-1795
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The dipolar endofullerene HF@C60
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Nature Chemistry, 8, (2016), 953-957
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Investigating Unusual Homonuclear Intermolecular “Through-Space” J Couplings in Organochalcogen Systems
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Inorg. Chem. 55, (2016), 10881-10887
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19F NMR Spectroscopy as a Highly Sensitive Method for the Direct Monitoring of Confined Crystallization within Nanoporous Materials
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Angew. Chem., 128, (2016), 9050–9054
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From crystalline to amorphous calcium pyrophosphates: A solid state Nuclear Magnetic Resonance perspective
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Acta Biomaterialia 31 (2016) 348–357
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New in situ solid-state NMR strategies for exploring materials formation and adsorption processes: prospects in heterogenous catalysis
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Appl Petrochem Res 2016, 6, 295-306
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Multinuclear Solid-State NMR Investigation of Hexaniobate and Hexatantalate Compounds
Gauthier J.-P. Deblonde, Cristina Coelho-Diogo, Alexandre Chagnes, Gérard Cote, Mark E. Smith, John V. Hanna, Dinu Iuga, and Christian Bonhomme
Inorganic Chemistry, 55, (2016), 5946-5956
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Structure and Sodium Ion Dynamics in Sodium Strontium Silicate Investigated by Multinuclear Solid-State NMR
Kenneth K. Inglis, John P. Corley, Pierre Florian, Jordi Cabana, Ryan D. Bayliss, and Frédéric Blanc
Chemistry of Materials, 28, (2016), 3850–3861
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Golgi-localized STELLO proteins regulate the assembly and trafficking of cellulose synthase complexes in Arabidopsis
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Nature Communications, 7, (2016), 11656
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Amyloid Hydrogen Bonding Polymorphism Evaluated by 15N{17O} REAPDOR Solid-State NMR and Ultra-High Resolution Fourier Transform Ion Cyclotron Resonance Mass Spectrometry
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Biochemistry, 55, (2016), 2065–2068
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14N overtone transition in double rotation solid-state NMR
Haies, Ibraheem M., Jarvis, James A., Brown, Lynda J., Kuprov, Ilya, Williamson, Philip T. F. and Carravetta, Marina
Phys. Chem. Chem. Phys. 17, (2015) 23748-23753
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Intercalation of benzoxaborolate anions in layered double hydroxides, toward hybrid formulations for benzoxaborole drugs
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Chemistry of Materials, 27, (2015), 1242-1254
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Interplay of Noncovalent Interactions in Ribbon-like Guanosine Self-Assembly: An NMR Crystallography Study
G. N. Manjunatha Reddy, Andrew Marsh, Jeffery T. Davis, Stefano Masiero, and Steven P. Brown
Cryst. Growth Des., 15, (2015), 5945–5954
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Intermolecular Interactions and Protein Dynamics by Solid-State NMR Spectroscopy
J.M. Lamley, C. Öster, R.A. Stevens, J.R. Lewandowski
Angewandte Chemie International Edition, 54, (2015), 15374-15378
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Unraveling the complexity of protein backbone dynamics with combined 13C and 15N solid-state NMR relaxation measurements
Jonathan M. Lamley, Matthew J. Lougher, Hans Juergen Sass, Marco Rogowski, Stephan Grzesiek and Jozef R. Lewandowski
Phys. Chem. Chem. Phys., 17, (2015), 21997-22008
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Combined experimental and computational NMR study of crystalline and amorphous zeolitic imidazolate frameworks
Emma F. Baxter, Thomas D. Bennett, Caroline Mellot-Draznieks, Christel Gervais, Frédéric Blanc, Anthony K. Cheetham
Phys. Chem. Chem. Phys. 17, (2015) 25191-25196
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Measuring 19F shift anisotropies and 1H–19F dipolar interactions with ultrafast MAS NMR
Francesca Martini, Habeeba K. Miah, Dinu Iuga, Marco Geppi and Jeremy J. Titman
Journal of Magnetic Resonance 259 (2015) 102–107
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The contribution of solid-state NMR spectroscopy to understanding biomineralization: Atomic and molecular structure of bone
Melinda J. Duer
Journal of Magnetic Resonance 253, (2015), 98–110
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Structure and properties of binder gels formed in the system Mg(OH)2–SiO2–H2O for immobilisation of Magnox sludge
Sam A. Walling, Hajime Kinoshita, Susan A. Bernal, Nick C. Collier and John L. Provis
Dalton Transactions, 44, (2015), 8126-8137
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14N overtone NMR under MAS: signal enhancement using symmetry-based sequences and novel simulation strategies
Ibraheem M. Haies, James A. Jarvis, Harry Bentley, Ivo Heinmaa, Ilya Kuprov, Philip T. F. Williamson and Marina Carravetta
Phys.Chem.Chem.Phys., 17, (2015), 6577-6587
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Characterisation of magnesium potassium phosphate cements blended with fly ash and ground granulated blast furnace slag
Laura J. Gardner, Susan A. Bernal, Samuel A. Walling, Claire L. Corkhill, John L. Provis and Neil C. Hyatt
Cement and Concrete Science, 74, (2015), 78-87
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Coordination Polymers Based on Alkylboronate Ligands: Synthesis, Characterization, and Computational Modelling
Dorothée Berthomieu, Christel Gervais, Guillaume Renaudin, Marc Reinholdt, Saad Sene, Mark E. Smith, Christian Bonhomme and Danielle Laurencin
Eur. J. Inorg. Chem. (2015), 1182–1191

Unusual Intermolecular “Through-Space” J Couplings in P–Se Heterocycles
Paula Sanz Camacho, Kasun S. Athukorala Arachchige, Alexandra M. Z. Slawin, Timothy F. G. Green, Jonathan R. Yates, Daniel M. Dawson, J. Derek Woollins, and Sharon E. Ashbrook
J. Am. Chem. Soc., 137, (2015), 6172–6175
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Synthesis and characterisation of an open-cage fullerene encapsulating hydrogen fluoride
Andrea Krachmalnicoff, Richard Bounds, Salvatore Mamone, Malcolm H. Levitt, Marina Carravetta and Richard J. Whitby
Chem. Commun., 51, (2015), 4993-4996
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Comparisons with Amyloid-β Reveal an Aspartate Residue That Stabilizes Fibrils of the Aortic Amyloid Peptide Medin
Hannah A. Davies, Jillian Madine and David A. Middleton
Journal of Biological Chemistry, 290, (2015), 7791-7803
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Probing the Molecular Architecture of Arabidopsis thaliana Secondary Cell Walls Using Two-and Three-Dimensional 13C Solid State Nuclear Magnetic Resonance Spectroscopy
Ray Dupree, Thomas J Simmons, Jennifer C Mortimer, Dharmesh Patel, Dinu Iuga, Steven P Brown, Paul Dupree
Biochem, 54, (2015), 2335-2345
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A NMR Crystallography Study of the Hemihydrate of 2′, 3′-O-Isopropylidineguanosine
GN Manjunatha Reddy, Daniel S Cook, Dinu Iuga, Richard I Walton, Andrew Marsh, Steven P Brown
Solid State NMR, 65, (2015), 41–48
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Computational Identification and Experimental Realisation of Lithium Vacancy Introduction into the Olivine LiMgPO4
L. Enciso-Maldonado, M. S. Dyer, M. D. Jones, M. Li, J. L. Payne, M. J. Pitcher, M. K. Omir, J. B. Claridge, F. Blanc, M. J. Rosseinsky
Chem. Mater., 27, (2015), 2074–2091
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Characterization of the Dynamics in the Protonic Conductor CsH2PO4 by 17O Solid-State NMR Spectroscopy and First-Principles Calculations: Correlating Phosphate and Protonic Motion
Gunwoo Kim, John M. Griffin, Frédéric Blanc, Sossina M. Haile, and Clare P. Grey
J. Am. Chem. Soc., 137, (2015), 3867 - 3876
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Monitoring the evolution of crystallization processes by in-situ solid-state NMR spectroscopy
Kenneth D.M. Harris, Colan E. Hughes, P. Andrew Williams
Solid State NMR, 65, (2015), 107–113

New In-Situ Solid-State NMR Techniques for Probing the Evolution of Crystallization Processes: Pre-Nucleation, Nucleation and Growth
Colan E. Hughes, P. Andrew Williams, Victoria L. Keast, Vasileios G. Charalampopoulos, Gregory R. Edwards-Gau and Kenneth D. M. Harris
Faraday Discussions 179, (2015), 115-140
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Cation substitutionin β-tricalcium phosphate investigated using multi-nuclear, solid-state NMR
Andrew T. Grigg, Martin Mee , Phillip M. Mallinson, Shirley K. Fong, Zhehong Gan, Ray Dupree, Diane Holland
Journal of Solid State Chemistry 212 (2014) 227-236
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A Hexameric Peptide Barrel as Building Block of Amyloid-β Protofibrils
Christofer Lendel, Morten Bjerring, Anatoly Dubnovitsky, Robert T. Kelly, Andrei Filippov, Oleg N. Antzutkin, Niels Chr. Nielsen, and Torleif Hard
Angewandte Chemie International Edition, 53, (2014), 12756 –12760
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Solid-State NMR of a Protein in a Precipitated Complex with a Full-Length Antibody
Jonathan M. Lamley, Dinu Iuga, Carl Öster, Hans-Juergen Sass, Marco Rogowski, Andres Oss, Jaan Past, Andres Reinhold, Stephan Grzesiek, Ago Samoson, and Józef R. Lewandowski
J. Am. Chem. Soc., 136, (2014), 16800–16806
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A G4·K+ Hydrogel Stabilized by an Anion
Gretchen Marie Peters, Luke P. Skala, Taylor N. Plank, Brooke J. Hyman, G. N. Manjunatha Reddy, Andrew Marsh, Steven P. Brown, and Jeffery T. Davis
J. Am. Chem. Soc., 136, (2014), 12596−12599
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Expression and purification of the aortic amyloid polypeptide medin
Hannah A. Davies, Mark C. Wilkinson, Robert P. Gibson, David A. Middleton,
Protein Expression and Purification, 98, (2014), 32–37
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Characterization of Structural Disorder in γ‑Ga2O3
Helen. Y. Playford, Alex C. Hannon, Matthew G. Tucker, Daniel M. Dawson, Sharon E. Ashbrook, Reza J. Kastiban, Jeremy Sloan, and Richard I. Walton
J. Phys. Chem. C, 118, (2014), 16188−16198
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Fluorine speciation as a function of composition in peralkaline and peraluminous Na2O–CaO–Al2O3–SiO2 glasses: A multinuclear NMR study
A. Baasner, B.C. Schmidt, R. Dupree, S.L. Webb
Geochim. Cosmochim. Acta, 132, (2014), 151-169
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A 3D experiment that provides isotropic homonuclear correlations of half-integer quadrupolar nuclei
Dinu Iuga, Diane Holland, Ray Dupree
Journal of Magnetic Resonance, 246, (2014), 122–129
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Highly Efficient Chiral Resolution of DL-Arginine by Cocrystal Formation Followed by Recrystallization under Preferential-Enrichment Conditions
Sekai Iwama, Kazunori Kuyama, Yuko Mori, Kochunnoonny Manoj, Rajesh G. Gonnade, Katsuaki Suzuki, Colan E. Hughes, P. Andrew Williams, Kenneth D. M. Harris, Stéphane Veesler, Hiroki Takahashi, Hirohito Tsue and Rui Tamura
Chemistry - A European Journal, 20, (2014), 10343-10350
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“CLASSIC NMR”: A New In-Situ NMR Strategy for Mapping the Time-Evolution of Crystallization Processes by Combined
Liquid-State and Solid-State Measurements
Colan E. Hughes, P. Andrew Williams and Kenneth D. M. Harris
Angewandte Chemie International Edition, 53, (2014), 8939-8943

A Solid-State NMR Study of the Immobilization of α‑Chymotrypsin on Mesoporous Silica
Nicole E. Faure, Peter J. Halling, and Stephen Wimperis
Journal of Physical Chemistry C, 118, (2014), 1042−1048
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Citrate bridges between mineral platelets in bone
Erika Davies, Karin H. Müller, Wai Ching Wong, Chris J. Pickard, David G. Reid, Jeremy N. Skepper and Melinda J. Duer
Proceedings of the National Academy of Sciences of the United States of America, 111, (2014), E1354-E1363
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Motional timescale predictions by molecular dynamics simulations: Case study using proline and hydroxyproline sidechain dynamics
Aliev, A. E., Kulke, M., Khaneja, H. S., Chudasama, V., Sheppard, T. D., Lanigan, R. M.
Proteins-Structure Function and Bioinformatics, 82, (2014), 195-215
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Water Scaffolding in Collagen: Implications on Protein Dynamics as Revealed by Solid-State NMR
Aliev, A. E., Courtier-Murias, D.
Biopolymers, 101, (2014), 246-256
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Concise NMR Approach for Molecular Dynamics Characterizations in Organic Solids
Aliev, A. E., Courtier-Murias
Journal of Physical Chemistry A, 117, (2014) 7855-7862
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Monitoring the Electrochemical Processes in the Lithium–Air Battery by Solid State NMR Spectroscopy
Michal Leskes, Amy J. Moore, Gillian R. Goward, Clare P. Grey
Journal of Physical Chemistry C, 117, 26929–26939, (2013)
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Fast MAS 1H spectroscopy of 1H-diluted systems: subtilin/target recognition
Boyan B Bonev
Advances in Planar Lipid Bilayers and Liposomes, 17, 299-329, (2013)
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Exploiting the Synergy of Powder X-ray Diffraction and Solid-State NMR Spectroscopy in Structure Determination of Organic Molecular Solids
Dmytro V. Dudenko, P. Andrew Williams, Colan E. Hughes, Oleg N. Antzutkin, Sitaram P. Velaga, Steven P. Brown and Kenneth D. M. Harris
Journal of Physical Chemistry C, 117, 23 Pages: 12258-12265 (2013)
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Measuring proton shift tensors with ultrafast MAS NMR
Habeeba K. Miah, David A. Bennett, Dinu Iuga, Jeremy J. Titman
Journal of Magnetic Resonance, 235, 1-5 (2013)
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A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates
Gregory J. Rees, Stephen P. Day, Alberth Lari, Andrew P. Howes, Dinu Iuga, Mateusz B. Pitak, Simon J. Coles, Terry L. Threlfall, Mark E. Light, Mark E. Smith, David Quigley, John D. Wallis and John V. Hanna
CrystEngComm, 15, 8823-8839, (2013)
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Whewellite, CaC2O4⋅H2O: structural study by a combined NMR, crystallography and modelling approach
Hélène Colas, Laure Bonhomme-Coury, Cristina Coelho Diogo, Frederik Tielens, Florence Babonneau, Christel Gervais, Dominique Bazin, Danielle Laurencin, Mark E. Smith, John V. Hanna, Michel Daudon and Christian Bonhomme
CrystEngComm, 15, 8840-8847, (2013)
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Structural study of calcium phosphonates: a combined synchrotron powder diffraction, solid-state NMR and first-principle calculations approach
Saad Sene, Boris Bouchevreau, Charlotte Martineau, Christel Gervais, Christian Bonhomme, Philippe Gaveau, Francesco Mauri, Sylvie Bégu, P. Hubert Mutin, Mark E. Smith and Danielle Laurencin
CrystEngComm, 15, 8763-8775 (2013)
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Application of NMR Crystallography to the Determination of the Mechanism of Charge-Balancing in Organocation-Templated AlPO STA-2
Valerie R. Seymour, Eike C. V. Eschenroeder, Maria Castro, Paul A. Wright and Sharon E. Ashbrook
Cryst.Eng.Comm., 15, 8668-8679 (2013)
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Advances in Solid-State Relaxation Methodology for Probing Site-Specific Protein Dynamics
Józef R. Lewandowski
Acc. Chem. Res., 46, 2018-2027 (2013)
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Water in the Earth's mantle: a solid-state NMR study of hydrous wadsleyite
John M. Griffin, Andrew J. Berry, Daniel J. Frost, Stephen Wimperis and Sharon E. Ashbrook
Chemical Science, 4, 1523-1538, (2013)
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Expanding the Solid-State Landscape of L-Phenylalanine: Discovery of Polymorphism and New Hydrate Phases, with Rationalization of ydration/Dehydration Processes
P. A. Williams, C. E. Hughes, A. B. M. Buanz, S. Gaisford and K. D. M. Harris
J. Phys. Chem. C, 117, 12258, (2013)
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Spectral assignments and NMR parameter–structure relationships in borates using high-resolution 11B NMR and density functional theory
Oliver L. G. Alderman, Dinu Iuga, Andrew P. Howes, Kevin J. Pike, Diane Holland and Ray Dupree
Phys. Chem. Chem. Phys., 15, 8208-8221, (2013)
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Probing Hydrogen Bonding in Cocrystals and Amorphous Dispersions Using 14N–1H HMQC Solid-State NMR
Andrew S. Tatton, Tran N. Pham, Frederick G. Vogt, Dinu Iuga, Andrew J. Edwards, and Steven P. Brown
Mol. Pharmaceutics, 10, 999-1007, (2013)
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High-resolution solid-state 13C NMR spectroscopy of the paramagnetic metal–organic frameworks, STAM-1 and HKUST-1
Daniel M. Dawson , Lauren E. Jamieson , M. Infas H. Mohideen , Alistair C. McKinlay , Iain A. Smellie , Romain Cadou , Neil S. Keddie , Russell E.
Morris and Sharon E. Ashbrook
Phys. Chem. Chem. Phys., 15, (2013), 919-929
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Site-Specific Identification of an Aβ Fibril–Heparin Interaction Site by Using Solid-State NMR Spectroscopy
Jillian Madine, Maya J. Pandya, Matthew R. Hicks,Alison Rodger, Edwin A. Yates, Sheena E. Radford, David A. Middleton
Angew. Chem. Int. Ed., 51, 13140 - 13143, (2012)
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14N-1H Heteronuclear Multiple-Quantum Correlation Magic-Angle Spinning NMR Spectroscopy of Organic Solids
Andrew S. Tatton, Jonathan P. Bradley, Dinu Iuga and Steven P. Brown
Zeitschrift fur Physikalische Chemie, 206, 1187-1204, (2012)
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New Strategies for Exploring Crystallization Processes of Organic Materials
Kenneth D.M. Harris, Colan E. Hughes, Benjamin A. Palmer and François Guillaume
Transactions of the American Crystallographic Association, 43, 97 - 112, (2012)

An examination of the calcium and strontium site distribution in bioactive glasses through isomorphic neutron diffraction, X-ray diffraction, EXAFS and
multinuclear solid state NMR
R. A. Martin, H. L. Twyman, G. J. Rees, E. R. Barney, R. M. Moss, J. M. Smith, R. G. Hill, G. Cibin, T. Charpentier, M. E. Smith, J. V. Hanna and R. J. Newport
J. Mater. Chem, 22, 22212, (2012)
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Exploiting In-Situ Solid-State NMR for the Discovery of New Polymorphs during Crystallization Processes
Colan E. Hughes, P. Andrew Williams, Thomas R. Peskett and Kenneth D. M. Harris
J. Phys. Chem. Lett., 2, 3176-3181, (2012)
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Identifying the intermolecular hydrogen-bonding supramolecular synthons in an indomethacin-nicotinamide cocrystal by solid-state NMR
Keisuke Maruyoshi, Dinu Iuga, Oleg Antzutkin, Amjad Alhalaweh, Sitaram Velaga and Steven P. Brown,
Chem. Commun., 48, 10844–10846, (2012)
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Hydrogen Bonding in Alzheimer’s Amyloid-β Fibrils Probed by 15N{17O} REAPDOR Solid-State NMR Spectroscopy
Oleg N. Antzutkin, Dinu Iuga, Andrei V. Filippov, Robert T. Kelly, Johanna Becker-Baldus, Steven P. Brown and Ray Dupree
Angew. Chem. Int. Ed., 51, 10289 –10292, (2012)
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Direct Detection of Discharge Products in Lithium–Oxygen Batteries by Solid-State NMR Spectroscopy
Michal Leskes, Nicholas E. Drewett, Laurence J. Hardwick, Peter G. Bruce, Gillian R. Goward and Clare P. Grey
Angew. Chem. Int. Ed., 51, 8560, (2012)
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A Multinuclear Solid-State NMR Study of Templated and Calcined Chabazite-Type GaPO-34
Mahrez Amri, Sharon E. Ashbrook, Daniel M. Dawson, John M. Griffin, Richard I. Walton, and Stephen Wimperis
J. Phys. Chem. C, 116, 15048−15057, (2012)
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Double Rotation 11B NMR Applied to Polycrystalline Barium Borates
L. G. Alderman, D. Iuga, A. P. Howes, D. Holland, R. Dupree
Phys. Chem. Glasses: Eur. J. Glass Sci. Technol. B, 53 (3), 132–140 (2012)

Probing cation and vacancy ordering in the dry and hydrated yttrium substituted BaSnO3 perovskite by NMR spectroscopy and first principles calculations: implications for proton mobility.
Lucienne Buannic, Frédéric Blanc, Derek S. Middlemiss, Clare P. Grey,
J. Am. Chem. Soc., 134, 14483-14498, (2012)
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Sr-87 Solid-State NMR as a Structurally Sensitive Tool for the Investigation of Materials: Antiosteoporotic Pharmaceuticals and Bioactive Glasses
Christian Bonhomme, Christel Gervais, Nicolas Folliet, Frédérique Pourpoint, Cristina Coelho Diogo, Jonathan Lao, Edouard Jallot, Joséphine Lacroix, Jean-Marie Nedelec, Dinu Iuga, John V. Hanna, Mark E. Smith, Ye Xiang, Jincheng Du, and Danielle Laurencin
J. Am. Chem. Soc., 134, 12611−12628, (2012)
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Ionothermal 17O Enrichment of Oxides using Microlitre Quantities of Labelled Water
John M. Griffin, Lucy Clark, Valerie R. Seymour, David W. Aldous, Daniel M. Dawson, Dinu Iuga, Russell E. Morris, and Sharon E. Ashbrook
Chemical Science, 3 (7), 2293, (2012)
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Probing intermolecular interactions and nitrogen protonation in pharmaceuticals by novel 15N-edited and 2D 14N-1H solid-state NMR
Andrew S. Tatton, Tran N. Pham, Frederick G. Vogt, Dinu Iuga, Andrew J. Edwards and Steven P. Brown
CrystEngComm, 14, 2654, (2012)
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Exploiting the Chemical Shielding Anisotropy to Probe Structure and Disorder in Ceramics: 89Y MAS NMR and First-Principles Calculations
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Thermal phase transformation in LaGaO3 and LaAlO3 perovskites: an experimental and computational solid-state NMR study
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A novel structural form of MIL-53 observed for the scandium analogue and its response to temperature variation and CO2 adsorption
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Applications of High-Resolution 1H Solid-State NMR
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Identifying Guanosine Self Assembly at Natural Isotopic Abundance by High-Resolution 1H and 13C Solid-State NMR Spectroscopy
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High-Resolution Solid-State 2H NMR Spectroscopy of Polymorphs of Glycine
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Defects in doped LaGaO3 anionic conductors: linking NMR spectral features, local environments and defect thermodynamics
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Observation of “hidden” magnesium: First-principles calculations and 25Mg solid-state NMR of enstatite
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Insights into new calcium phosphosilicate xerogels using an advanced characterization methodology
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Synthesis and Characterization of Crystalline Structures Based on Phenylboronate Ligands Bound to Alkaline Earth Cations
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Probing Intermolecular Crystal Packing in γ-Indomethacin by High-Resolution 1H Solid-State NMR Spectroscopy
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Boron environments in Pyrex glass — a high resolution, Double-Rotation NMR and thermodynamic modelling study
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Natural-Abundance Solid-State 2H NMR Spectroscopy at High Magnetic Field
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Double-quantum homonuclear correlations of spin I = 5/2 nuclei
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93Nb NMR and DFT Investigation of the Polymorphs of NaNbO3
Karen E. Johnston, John M. Griffin, Richard I. Walton, Daniel M. Dawson, Philip Lightfoot and Sharon E. Ashbrook
Phys. Chem. Chem. Phys., 13, 7565, (2011)
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