MAGNETIC RESONANCE RESEARCH CENTRE
PUBLICATIONS
Decoupling Protein Concentration and Aggregate Content Using Diffusion and Water NMR
M. I. Grimes, Matthew Cheeks, Jennifer Smith, Fabio Zurlo, M. D. Mantle, Analytical Chemistry, 2024, 96, 28, 11155-11162.
Bayesian inverse Navier-Stokes problems: joint flow field reconstruction and parameter learning
A. Kontogiannis, S. V. Elgersma, A. J. Sederman, M. P. Juniper, arXiv, 2024, DOI: 10.48550/arXiv.2406.18464
Insights into molecular accessibility in catalyst and sorbent materials using NMR porosity measurements
J. A. Ward-Williams, C. M. Guédon, M. D. Mantle, A. J. Sederman, L. F. Gladden, Reaction Chemistry & Engineering, 2024, 9, 1320-1324.
DOI: 10.1039/D4RE00190G
Applications of Pulsed Field Gradient Nuclear Magnetic Resonance to Late-stage Pharmaceutical and Biopharmaceutical Development and Deployment
M. D. Mantle, in Magnetic Resonance and its Applications in Drug Formulation and Delivery, ed. M. D. Mantle and L. P. Hughes, Royal Society of Chemistry, 2024, vol. 33, ch. 7, pp. 278-332.
Magnetic Resonance Methods Applied to the Study and Development of Cell Cultures and Bioreactors for Biopharmaceutical Production
M. I. Grimes, M. D. Mantle, in Magnetic Resonance and its Applications in Drug Formulation and Delivery, ed. M. D. Mantle and
L. P. Hughes, Royal Society of Chemistry, 2024, vol. 33, ch. 6, 244-277.
A simple 1H PFG-NMR method to determine intracrystalline molecular self-diffusivities for weakly adsorbing hydrocarbon gases in microporous materials
M. D. Mantle, M. Ainte, A. P. E. York, M. Bentley, L. F. Gladden, Catalysis Today, 2024, 431, 114561.
Included in the A celebration of catalysis – a meeting to commemorate the retirement of Professor David Jackson special issue of Catalysis Today.
The effect of pellet shape on turbulent hydrodynamics in narrow packed beds: A magnetic resonance velocity imaging study
S. V. Elgersma, A. J. Sederman, M. D. Mantle, C. M. Guédon, G. J. Wells, L. F. Gladden, Chemical Engineering Journal, 2024, 486, 149133.
Investigating the coupling between transport and reaction within a catalyst pellet using operando magnetic resonance spectroscopic imaging
S. V. Elgersma, J. A. Ward-Williams, Q. Zheng, A. J. Sederman, M. D. Mantle, C. M. Guédon, L. F. Gladden, Catalysis Today, 2024, 430, 114497.
Included in the A celebration of catalysis – a meeting to commemorate the retirement of Professor David Jackson special issue of Catalysis Today.
Sub-sampling of NMR Correlation and Exchange Experiments
J. B. B. Beckmann, M. D. Mantle, A. J. Sederman, L. F. Gladden, arXiv, 2024, DOI: 10.48550/arXiv.2401.00599
Operando Nuclear Magnetic Resonance (NMR) studies of a Trickle-bed Reactor using D-T2 Correlations
A. Sparks, L. F. Gladden, C. Brennan, M. D. Mantle, Chimia, 2024, 78, 129-134.
Originally published as a preprint on ChemRxiv.
Deep Learning as a Method for Inversion of NMR Signals
J. B. B. Beckmann, M. D. Mantle, A. J. Sederman, L. F. Gladden, arXiv, 2023, DOI: 10.48550/arXiv.2311.13722
Generalized Cross-Validation as Method of Hyperparameter Search for MTGV Regularization
J. B. B. Beckmann, A. Sparks, J. A. Ward-Williams, M. D. Mantle, A. J. Sederman, L. F. Gladden, arXiv, 2023,
Operando characterisation of the products of Fischer-Tropsch synthesis in a fixed-bed reactor studied by magnetic resonance
Q. Zheng, J. H. Williams, S. V. Elgersma, M. D. Mantle, A. J. Sederman, G. L. Bezemer, C. M. Guédon, L. F. Gladden, Catalysis Today, 2024, 428, 114416.
Quantifying Liquid‑Solid Mass Transfer in a Trickle Bed Using T2 − T2 Relaxation Exchange NMR
S. V. Elgersma, Q. Zheng, N. Avrantinis, A. J. Sederman, M. D. Mantle, L. F. Gladden, Applied Magnetic Resonance, 2023, 54, 1423-1443.
Included in the Bernhard Blümich - on the Occasion of His 70th Birthday special issue of Applied Magnetic Resonance.
Effect of Tube-to-Pellet Diameter Ratio on Turbulent Hydrodynamics in Packed Beds: A Magnetic Resonance Velocity Imaging Study
S. V. Elgersma, A. J. Sederman, M. D. Mantle, C. M. Guédon, G. J. Wells, L. F. Gladden, Applied Magnetic Resonance, 2023, 54, 1493-1510.
Included in the Bernhard Blümich - on the Occasion of His 70th Birthday special issue of Applied Magnetic Resonance.
Magnetic resonance velocity imaging of turbulent gas flow in a packed bed of catalyst support pellets
S. V. Elgersma, A. J. Sederman, M. D. Mantle, C. M. Guédon, G. J. Wells, L. F. Gladden, Chemical Engineering Journal, 2023, 475, 145445.
Probing the Diffusion Mechanism of n-Alkanes in Mesoporous Confinement Using Pulsed Field Gradient NMR
J. H. Williams, Q. Zheng, M. D. Mantle, A. J. Sederman, L. F. Gladden, Journal of Physical Chemistry C, 2023, 127, 31, 15326-15335.
Operando magnetic resonance imaging of product distributions within the pores of catalyst pellets during Fischer–Tropsch synthesis
Q. Zheng, J. H. Williams, L. van Thiel, S. V. Elgersma, M. D. Mantle, A. J. Sederman, T. A. Baart, G. L. Bezemer, C. M. Guédon,
L. F. Gladden, Nature Catalysis, 2023, 6, 185-195.
Included in the Chemical Engineering Distilled collection from Nature Chemical Engineering.
Molecular Dynamics of Ionic Liquids from Fast-Field Cycling NMR and Molecular Dynamics Simulations
J. B. B. Beckmann, D. Rauber, F. Philippi, K. Goloviznina, J. A. Ward-Williams, A. J. Sederman, M. D. Mantle, A. Pádua, C. W. M. Kay, T. Welton, L. F. Gladden, Journal of Physical Chemistry B, 2022, 126, 37, 7143-7158.
3D structure of free-surface avalanche deposits from MRI: particle-size segregation in free-surface, bi-disperse granular flows
R. S. Walker, C. E. Gayer, A. J. Sederman, N. M. Vriend, Granular Matter, 2022, 24, 3, 93.
Extending NMR Tortuosity Measurements to Paramagnetic Catalyst Materials Through the Use of Low Field NMR
J. A. Ward-Williams, V. Karsten, C. M. Guédon, T. A. Baart, P. Munnik, A. J. Sederman, M. D. Mantle, Q. Y. Zheng, L. F. Gladden, Chemistry—Methods, 2022, 2, 8, e202200025.
Included in a Special Collection about NMR Methodologies from Angewandte Chemie and Chemistry—Methods.
Joint reconstruction and segmentation of noisy velocity images as an inverse Navier-Stokes problem
A. Kontogiannis, S. V. Elgersma, A. J. Sederman, M. P. Juniper, Journal of Fluid Mechanics, 2022, 944, A40.
Featured as the cover illustration for Volume 944.
Optimizing Terahertz Waveform Selection of a Pharmaceutical Film Coating Process Using Recurrent Network
X. R. Li, B. M. Williams, R. K. May, M. J. Evans, S. C. Zhong, L. F. Gladden, Y. C. Shen, J. A. Zeitler, H. Y. Lin, IEEE Transactions on Terahertz Science and Technology, 2022, 12, 4, 392-400.
Integrating Pore-Scale MRI and X-ray μCT for Validation of Numerical Flow Simulations in Porous Sedimentary Rocks
K. Karlsons, D. W. de Kort, F. O. Alpak, J. Dietderick, J. J. Freeman, M. Appel, M. D. Mantle, A. J. Sederman, L. F. Gladden, Transport in Porous Media, 2022, 143, 2, 373-396.
In Situ Characterisation of Mixtures of Linear and Branched Hydrocarbons Confined within Porous Media Using 2D DQF-COSY NMR Spectroscopy
Q. Y. Zheng, M. D. Mantle, A. J. Sederman, T. A. Baart, C. M. Guédon, L. F. Gladden, Analytical Chemistry 2022, 94, 7, 3135-3141.
MRI hydrodynamic characterisation of an ambr15® bioreactor
C. Legrand, M. Cheeks, C. Sellick, M. D. Mantle, Biochemical Engineering Journal, 2022, 179, 108304.
Correlating the strength of reducing agent adsorption with Ag/Al2O3 catalyst performances in selective catalytic reduction (SCR) of NOx
C. D'Agostino, S. Chansai, L. F. Gladden, C. Hardacre, Catalysis Today, 2022, 384-386, 274-278.
Measuring the liquid-solid mass transfer coefficient in packed beds using T2-T2 relaxation exchange NMR
S. V. Elgersma, A. J. Sederman, M. D. Mantle, L. F. Gladden, Chemical Engineering Science, 2022, 248, B, 117229.
Featured as the cover illustration for Volume 253.
A simple liquid state 1H NMR measurement to directly determine the surface hydroxyl density of porous silica
C. Penrose, P. Steiner, L. F. Gladden, A. J. Sederman, A. P. E. York, M. Bentley, M. D. Mantle, Chemical Communications, 2021, 57, 95, 12804-12807.
Green, scalable, low cost and reproducible flow synthesis of biocompatible PEG-functionalized iron oxide nanoparticles
J. Mahin, C. O. Franck, L. Fanslau, H. K. Patra, M. D. Mantle, L. Fruk, L. Torrente-Murciano, Reaction Chemistry & Engineering, 2021, 6, 10, 1961-1973.
Bulk and Confined Benzene-Cyclohexane Mixtures Studied by an Integrated Total Neutron Scattering and NMR Method
T. L. Hughes, M. Falkowska, M. Leutzsch, A. J. Sederman, M. D. Mantle, T. F. Headen, T. G. A. Youngs, D. T. Bowron, C. Hardacre, Topics in Catalysis, 2021, 64, 722-734.
Characterizing Solid-Liquid Interactions in a Mesoporous Catalyst Support Using Variable-Temperature Fast Field Cycling NMR
J. Ward-Williams, J. P. Korb, L. Rozing, A. J. Sederman, M. D. Mantle, L. F. Gladden, Journal of Physical Chemistry C, 2021, 125, 16, 8767-8778.
Multiphase flow and mixing quantification using computational fluid dynamics and magnetic resonance imaging
W. Maru, D. Holland, S. Lakshmanan, A. J. Sederman, A. Thomas, Flow Measurement and Instrumentation, 2021, 77, 101816.
Characterizing pore-scale structure-flow correlations in sedimentary rocks using magnetic resonance imaging
K. Karlsons, D. W. de Kort, A. J. Sederman, M. D. Mantle, J. J. Freeman, M. Appel, L. F. Gladden, Physical Review E, 2021, 103, 2, 023104
A continuous time random walk method to predict dissolution in porous media based on validation of experimental NMR data
R. Oliveira, B. Bijeljic, M. J. Blunt, A. Colbourne, A. J. Sederman, M. D. Mantle, L. F. Gladden, Advances in Water Resources, 2021, 149, 103847.
Experimental Determination of H2 and CO Diffusion Coefficients in a Wax Mixture Confined in a Porous Titania Catalyst Support
Q. Y. Zheng, J. Williams, M. D. Mantle, A. J. Sederman, T. A. Baart, C. M. Guédon, L. F. Gladden, Journal of Physical Chemistry B, 2020, 124, 48, 10971-10982.
The effect of hydrogen bonding on diffusion and permeability in UV-cured Polyacrylate-based networks for controlled release
B. Wu, W. Chasse, K. Zick, M. D. Mantle, A. Heise, D. F. Brougham, V. M. Litvinov, Journal of Controlled Release, 2020, 327, 150-160.
NMR and Thermal Studies for the Characterization of Mass Transport and Phase Separation in Paracetamol/Copovidone Hot-Melt Extrusion Formulations
E. Pisa, L. P. Hughes, S. A. C. Wren, J. Booth, J. F. McCabe, D. T. E. Whittaker, M. D. Mantle, Molecular Pharmaceutics, 2020, 17, 6, 2021-2033.
In situ high-pressure 13C/1H NMR reaction studies of benzyl alcohol oxidation over a Pd/Al2O3 catalyst
C. D'Agostino, M. D. Mantle, L. F. GLadden, Reaction Chemistry & Engineering, 2020, 5, 6, 1053-1057.
In Situ Determination of Carbon Number Distributions of Mixtures of Linear Hydrocarbons Confined within Porous Media Using Pulsed Field Gradient NMR
J. Williams, Q. Y. Zheng, A. J. Sederman, M. D. Mantle, T. A. Baart, C. M. Guédon, L. F. Gladden, Analytical Chemistry, 2020, 92, 7, 5125-5133.
Insights into Automotive Particulate Filters using Magnetic Resonance Imaging
J. D. Cooper, N. P. Ramskill, A. J. Sederman, L. F. Gladden, A. Tsolakis, E. H. Stitt, A. P. E. York, Johnson Matthey Technology Review, 2020, 64, 2, 165-179.
Numerical and experimental studies of gas flow in a particulate filter
J. D. Cooper, L. Liu, N. P. Ramskill, T. C. Watling, A. P. E. York, E. H. Stitt, A. J. Sederman, L. F. Gladden, Chemical Engineering Science, 2019, 209, 115179.
Measuring velocity and turbulent diffusivity in wall-flow filters using compressed sensing magnetic resonance
J. D. Cooper, A. P. E. York, A. J. Sederman, L. F. Gladden, Chemical Engineering Journal, 2019, 377, 119690.
Observation of high-temperature macromolecular confinement in lyophilised protein formulations using terahertz spectroscopy
T. A. Shmool, P. J. Woodhams, M. Leutzch, A. D. Stephens, M. U. Gaimann, M. D. Mantle, G. S. Kaminski Schierle, C. F. van der Walle, J. A. Zeitler, International Journal of Pharmaceutics-X, 2019, 1, 100022.
Identification of sampling patterns for high-resolution compressed sensing MRI of porous materials: 'learning' from X-ray microcomputed tomography data
K. Karlsons, D. W. de Kort, A. J. Sederman, M. D. Mantle, H. de Jong, M. Appel, L. F. Gladden, Journal of Microscopy, 2019, 276, 2, 63-81.
Enabling High Spectral Resolution of Liquid Mixtures in Porous Media by Antidiagonal Projections of Two-Dimensional 1H NMR COSY Spectra
C. Terenzi, A. J. Sederman, M. D. Mantle, L. F. Gladden, Journal of Physical Chemistry Letters, 2019, 10, 19, 5781-5785.
Microstructure evolution during nano-emulsification by NMR and microscopy
C. D'Agostino, V. Preziosi, A. Khan, M. D. Mantle, E. Fridjonsson, S. Guido, Journal of Colloid and Interface Science, 2019, 551, 138-146.
Ultralow-field nuclear magnetic resonance of liquids confined in ferromagnetic and paramagnetic materials
M. C. D. Tayler, J. Ward-Williams, L. F. Gladden, Applied Physics Letters, 2019, 115, 7, 072409.
Application of Magnetic Resonance to Assess Lyophilized Drug Product Reconstitution
T. A. Partridge, M. Ahmed, S. B. Choudhary, C. F. van der Walle, S. M. Patel, S. M. Bishop, M. D. Mantle, Pharmaceutical Research, 2019, 36, 5, 71.
Enhancing joint reconstruction and segmentation with non-convex Bregman iteration
V. Corona, M. Benning, M. J. Ehrhardt, L. F. Gladden, R. Mair, A. Reci, A. J. Sederman, S. Reicheit, C. B. Schönlieb, Inverse Problems, 2019, 35, 5, 055001.
Water-wax behaviour in porous silica at low temperature Fischer-Tropsch conditions
Q. Y. Zheng, J. L. Brown, M. D. Mantle, A. J. Sederman, T. A. Baart, C. M. Guédon, L. F. Gladden, Applied Catalysis A: General, 2019, 572, 142-150.
Optimising sampling patterns for bi-exponentially decaying signals
A. Reci, M. I. Ainte, A. J. Sederman, M. D. Mantle, L. F. Gladden, Magnetic Resonance Imaging, 2019, 56, 14-18.
Under-sampling and compressed sensing of 3D spatially-resolved displacement propagators in porous media using APGSTE-RARE MRI
D. W. de Kort, S. A. Hertel, M. Appel, H. de Jong, M. D. Mantle, A. J. Sederman, L. F. Gladden, Magnetic Resonance Imaging, 2019, 56, 24-31 .
Insights into adsorption behaviour of binary liquid mixtures in porous media using fast field cycling NMR
J. Ward-Williams, L. F. Gladden, Magnetic Resonance Imaging, 2019, 56, 57-62.
Fast spatially-resolved T2 measurements with constant-gradient CPMG
S. A. Hertel, D. W. de Kort, I. Bush, A. J. Sederman, L. F. Gladden, B. Anger, H. de Jong, M. Appel, Magnetic Resonance Imaging, 2019, 56, 70-76.
In situ reaction monitoring in heterogeneous catalysts by a benchtop NMR spectrometer
M. Leutzsch, A. J. Sederman, L. F. Gladden, M. D. Mantle, Magnetic Resonance Imaging, 56, 138-143.
Spatially-resolved 1H NMR relaxation-exchange measurements in heterogeneous media
C. Terenzi, A. J. Sederman, M. D. Mantle, L. F. Gladden, Journal of Magnetic Resonance, 2019, 299, 101-108.
Ionic Liquid Microcapsules: Formation and Application of Polystyrene Microcapsules with Ionic Liquid Cores
I. L. Guarnido, A. F. Routh, M. D. Mantle, M. F. Serrano, P. C. Marr, ACS Sustainable Chemistry & Engineering, 2019, 7, 2, 1870-1874.
Synergistic Contribution of the Acidic Metal Oxide-Metal Couple and Solvent Environment in the Selective Hydrogenolysis of Glycerol: A Combined Experimental and Computational Study Using ReOx-Ir as the Catalyst
J. J. Varghese, L. W. Cao, C. Robertson, Y. H. Yang, L. F. Gladden, A. A. Lapkin, S. H. Mushrif, ACS Catalysis, 2019, 9, 1, 485-503.
Scalar relaxation of NMR transitions at ultralow magnetic field
M. C. D. Tayler, L. F. Gladden, Journal of Magnetic Resonance, 2019, 298, 101-106.
Publications prior to 2019 can be found on Web of Science.