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Publications

Publications authored by iMR-CDT students are listed below, with the students highlighted in bold in the author list.

2016:

Singlet order conversion and parahydrogen-induced hyperpolarization of 13C nuclei in near-equivalent spin systems
J. Eills, G. Stevanato, C. Bengs, S. Glöggler, S.J. Elliott, J. Alonso-Valdesueiro, G. Pileio & M.H. Levitt, J. Magn. Reson., 274, 163-172 (2016)
DOI: 10.1016/j.jmr.2016.11.010

Quantitative measurements in electrochemical electron paramagnetic resonance
M.A. Tamski, M.W. Dale, B.G. Breeze, J.V. Macpherson, P.R. Unwin & M.E. Newton, Electrochim. Acta, 213, 802-810 (2016)
DOI: 10.1016/j.electacta.2016.07.114

Long-lived nuclear spin states in rapidly rotating CH2D groups
Stuart J. Elliott, Lynda J. Brown, Jean-Nicolas Dumez & Malcolm H. Levitt, J. Magn. Reson., 272, 87-90 (2016)
DOI: 10.1016/j.jmr.2016.09.009

Long-lived nuclear spin states in monodeuterated methyl groups
Stuart J. Elliott, Lynda J. Brown, Jean-Nicolas Dumez & Malcolm H. Levitt, Phys. Chem. Chem. Phys., 18, 17965-17972 (2016)
DOI: 10.1039/C6CP03619H

Modified Newton-Raphson GRAPE methods for optimal control of spin systems
D.L. Goodwin & I. Kuprov, J. Chem. Phys., 144, 204107 (2016)
DOI: 10.1063/1.4949534

Tolerance in the Ramsey interference of a trapped nanodiamond
C. Wan, M. Scala, S. Bose, A.C. Frangeskou, A.T.M.A. Rahman, G.W. Morley, P.F. Baker & M.S. Kim, Phys. Rev. A, 93, 043852 (2016)
DOI: 10.1103/PhysRevA.93.043852

DEER Sensitivity between Iron Centers and Nitroxides in Heme-Containing Proteins Improves Dramatically Using Broadband, High-Field EPR
Claire L. Motion, Janet E. Lovett, Stacey Bell, Scott L. Cassidy, Paul A. S. Cruickshank, David R. Bolton, Robert I. Hunter, Hassane El Mkami, Sabine Van Doorslaer & Graham M. Smith, J. Phys. Chem. Lett., 7(8), 1411-1415 (2016)
DOI: 10.1021/acs.jpclett.6b00456

Burning and graphitization of optically levitated nanodiamonds in vacuum
A.T.M.A. Rahman, A.C. Frangeskou, M.S. Kim, S. Bose, G.W. Morley & P.F. Baker, Sci. Rep., 6, 21633 (2016)
DOI: 10.1038/srep21633

Controlling particle size in the Stöber process and incorporation of calcium
S.L. Greasley, S.J. Page, S. Sirovica, S. Chen, R.A. Martin, A. Riveiro, J.V. Hanna, A.E. Porter & J.R. Jones, J. Colloid Interf. Sci., 469, 213-223 (2016)
DOI: 10.1016/j.jcis.2016.01.065

Solid Effect DNP Polarization Dynamics In A System Of Many Spins
D. Wiśniewski, A. Karabanov, I. Lesanovsky & W. Köckenberger, J. Magn. Reson., 264, 30-38 (2016)
DOI: 10.1016/j.jmr.2016.01.016

An optimised detector for in-situ high-resolution NMR in microfluidic devices
G. Finch, A. Yilmaz & M. Utz, J. Magn. Reson., 262, 73-80 (2016)
DOI: 10.1016/j.jmr.2015.11.011

Neutron diffraction and multinuclear solid state NMR investigation into the structures of oxide ion conducting La9.6Si6O26.4 and La8Sr2Si6O26, and their hydrated phases
B.J. Corrie, J.F. Shin, S. Hull, K.S. Knight, M.C. Vlachou, J.V. Hanna & P.R. Slater, Dalton Trans., 45, 121-133 (2016)
DOI: 10.1039/C5DT03190G

The use of the Rx spin label in orientation measurement on proteins, by EPR
M. A. Stevens, J. E. McKay, J. L. S. Robinson, H. EL Mkami, G. M. Smith & D. G. Norman, Phys. Chem. Chem. Phys., 18, 5799-5806 (2016)
DOI: 10.1039/C5CP04753F

2015:

A structural and physical study of sol–gel methacrylate–silica hybrids: intermolecular spacing dictates the mechanical properties
A.L.B. Maçon, S.J. Page, J.J. Chung, N. Amdursky, M.M. Stevens, J.V.M. Weaver, J.V. Hanna & J.R. Jones, Phys. Chem. Chem. Phys., 17, 29124-29133 (2015)
DOI: 10.1039/C5CP04656D

A Nuclear Singlet Lifetime of More than One Hour in Room-Temperature Solution
G. Stevanato, J.T. Hill-Cousins, P. Håkansson, S. Singha Roy, L.J. Brown, R.C.D. Brown, G. Pileio & M.H. Levitt, Angew. Chem. Int. Ed., 54(12), 3740-3743 (2015)
DOI: 10.1002/anie.201411978

Synthesis of an Isotopically Labeled Naphthalene Derivative That Supports a Long-Lived Nuclear Singlet State
J.T. Hill-Cousins, I-A. Pop, G. Pileio , G. Stevanato, P. Håkansson, S.S. Roy, M.H. Levitt, L.J. Brown & R.C. D. Brown, Org. Lett., 17(9), 2150-2153 (2015)
DOI: 10.1021/acs.orglett.5b00744

Theory of long-lived nuclear spin states in methyl groups and quantum-rotor induced polarisation
J-N. Dumez, P. Håkansson, S. Mamone, B. Meier, G. Stevanato, J.T. Hill-Cousins, S.S. Roy, R.C.D. Brown, G. Pileio & M. H. Levitt, J. Chem. Phys., 142, 044506 (2015)
DOI: 10.1063/1.4906273

Electrochemical electron paramagnetic resonance utilizing loop gap resonators and microelectrochemical cells
M.A. Tamski, J.V. Macpherson, P.R. Unwin & M.E. Newton, Phys. Chem. Chem. Phys., 17, 23438-23447 (2015)
DOI: 10.1039/c5cp04259c

Auxiliary matrix formalism for interaction representation transformations, optimal control, and spin relaxation theories
D.L. Goodwin & I. Kuprov, J. Chem. Phys., 143, 084113 (2015)
DOI: 10.1063/1.4928978

Dynamic Nuclear Polarization as Kinetically Constrained Diffusion
A. Karabanov, D. Wiśniewski, I. Lesanovsky & W. Köckenberger, Phys. Rev. Lett., 115, 020404 (2015)
DOI: 10.1103/PhysRevLett.115.020404

Novel photoactive inorganic polymer composites of inorganic polymers with copper(I) oxide nanoparticles
M. Fallah, K.J.D. MacKenzie, J.V. Hanna & S.J. Page, J. Mater. Sci., 50(22), 7374-7383 (2015)
DOI: 10.1007/s10853-015-9295-3

Rapid Field-Cycling MRI using Fast Spin-Echo
P.J. Ross, L.M. Broche & D.J. Lurie, Magn. Reson. Med., 3, 1120-1124 (2015)
DOI: 10.1002/mrm.25233

Long-lived nuclear spin states far from magnetic equivalence
G. Stevanato & S.S. Roy, J.T. Hill-Cousins, I. Kuprov, L.J. Brown, R.C.D. Brown, G. Pileio & M.H. Levitt, Phys. Chem. Chem. Phys., 17, 5913-5922 (2015)
DOI: 10.1039/c4cp05704j

Electron spin coherence near room temperature in magnetic quantum dots
Fabrizio Moro, Lyudmila Turyanska, James Wilman, Alistair J. Fielding, Michael W. Fay, Josef Granwehr & Amalia Patanè, Sci. Rep., 5, 10855 (2015)
DOI: 10.1038/srep10855

Assessing dimerisation degree and cooperativity in a biomimetic small-molecule model by pulsed EPR
K. Ackermann, A. Giannoulis, D.B. Cordes, A.M.Z. Slawin & B.E. Bode, Chem. Commun., 51, 5257-5260 (2015)
DOI: 10.1039/c4cc08656b

Enhancement of quantum rotor NMR signals by frequency-selective pulses
S.S. Roy, J-N. Dumez, G. Stevanato, B. Meier, J.T. Hill-Cousins, R.C.D. Brown, G. Pileio & M. H. Levitt, J. Magn. Reson., 250, 25-28 (2015)
DOI: 10.1016/j.jmr.2014.11.004

2014:

[Abstract] Field-Cycling MRI: a new imaging modality?
D.J. Lurie, L.M. Broche, G.R. Davies, N.J. Payne, K.J. Pine, P.J. Ross & V. Zampetoulas, Phys. Medica, 30(S1), e8-e9 (2014)
DOI: 10.1016/j.ejmp.2014.07.037

Symmetry-breaking in the endofullerene H2O@C60 revealed in the quantum dynamics of ortho and para-water: a neutron scattering investigation
Kelvin S. K. Goh, Mónica Jiménez-Ruiz, Mark R. Johnson, Stéphane Rols, Jacques Ollivier, Mark S. Denning, Salvatore Mamone, Malcolm H. Levitt, Xuegong Lei, Yongjun Li, Nicholas J. Turro, Yasujiro Muratae & Anthony J. Horsewill, Phys. Chem. Chem. Phys., 16, 21330-21339 (2014).
DOI: 10.1039/C4CP03272A

O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N–C bond or a hydrogen bond to the pi-electron density of a carbonyl group
N. Mercadal, S. P. Day, A. Jarmyn, M. B. Pitak, S. J. Coles, C. Wilson, G. J. Rees, J. V. Hanna & J. D. Wallis, Cryst. Eng. comm., 16, 8363-8374 (2014).
DOI: 10.1039/C4CE00981A

Nuclear spin conversion of water inside fullerene cages detected by low-temperature nuclear magnetic resonance
S. Mamone, M. Concistrè, E. Carignani, B. Meier, A. Krachmalnicoff, O. G. Johannessen, X. Lei, Y. Li, M. Denning, M. Carravetta, K. Goh, A. J. Horsewill, R. J. Whitby, & M. H. Levitt, J. Chem. Phys., 140, 194306 (2014).
DOI: 10.1063/1.4873343

Quantum mechanical NMR simulation algorithm for protein-size spin systems
Luke J. Edwards, D.V. Savostyanov, Z.T. Welderufael, Donghan Lee, & Ilya Kuprov, J. Magn. Reson., 243, 107-113 (2014).
DOI: 10.1016/j.jmr.2014.04.002

Rapid multi-field T1 estimation algorithm for Fast Field-Cycling MRI
L.M. Broche, P.J. Ross, K.J. Pine & D.J. Lurie, J. Magn. Reson., 238, 44-51 (2014).
DOI: 10.1016/j.jmr.2013.10.010

2013:

A Multi-Nuclear Solid State NMR, Density Functional Theory and X-Ray Diffraction Study of Hydrogen Bonding in Group I Hydrogen Dibenzoates
G.J. Rees, S. P. Day, A. Lari, A. P. Howes, D. Iuga, M. B. Pitak, S. J. Coles, T. L. Threlfall, M. E. Light, M. E. Smith, D. Quigley, J. D. Wallis & J. V. Hanna, Cryst. Eng. comm., 15, 8823-8839 (2013).
DOI: 10.1039/c3ce41258j

Long-Lived Nuclear Spin States in Methyl Groups and Quantum-Rotor-Induced Polarization
B. Meier, D. Jean-Nicolas, G. Stevanato, J. T. Hill-Cousins, S. Singha Roy, P. Hakansson, S. Mamone, R. C. D. Brown, G. Pileio, & M. H. Levitt, J. Am. Chem. Soc., 135(50), 18746-18749 (2013).
DOI: 10.1021/ja410432f

Deoxygenation of Graphene Oxide: Reduction or Cleaning?
Helen Rosemary Thomas, Stephen P. Day, William E. Woodruff, Cristina Valles, Robert J Young, Ian A. Kinloch, Gavin W. Morley, John V Hanna, Neil Richard Wilson, & Jonathan Patrick Rourke. Chem. Mater., 25, 3580-3588 (2013).
DOI: 10.1021/cm401922e

PELDOR in rotationally symmetric homo-oligomers.
Angeliki Giannoulis, Richard Ward, Emma Branigan, James H. Naismith & Bela E. Bode. Mol. Phys., 111(18-19), 2845-2854 (2013).
DOI: 10.1080/00268976.2013.798697

Compact wideband corrugated feedhorns with ultra-low side lobes for very high performance antennas and quasi-optical systems
JE McKay, DA Robertson , PAS Cruickshank , DR Bolton , RI Hunter , R Wylde, R & GM Smith. Antennas and Propagation, IEEE Transactions on, 61(4), 1714-1721 (2013).
DOI: 10.1109/TAP.2013.2243097

High polarization of nuclear spins mediated by nanoparticles at millikelvin temperatures
John R. Owers-Bradley, Anthony J. Horsewill, David T. Peat, Kelvin S. K. Goh & David G. Gadian. Phys. Chem. Chem. Phys., 15, 10413-10417 (2013).
DOI: 10.1039/C3CP51274F

Quantum rotation and translation of hydrogen molecules encapsulated inside C60: temperature dependence of inelastic neutron scattering spectra
A.J. Horsewill, K. Goh, S. Rols, J. Ollivier, M.R. Johnson, M.H. Levitt, M. Carravetta, S. Mamone, Y. Murata, J.Y.-C. Chen, J.A. Johnson, X. Lei, N.J. Turro. Phil. Trans. R. Soc. A., 371, 20130124 (2013).
DOI: 10.1098/rsta.2011.0627

2012:

Models for incomplete nucleophilic stack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylaminonaphthalene-8-carbaldehyde.
Alberth Lari, Matuesz B. Pitak, Simon J. Coles, Gregory J. Rees, Stephen P. Day, Mark E. Smith, John V. Hanna and John D. Wallis, Org. Biomol. Chem., 10, 7763 (2012).
DOI: 10.1039/C2OB25929J