2021

Pawlak, Tomasz, Sudgen, Isaac, Bujacz, Grzegorz, Iuga, Dinu, Brown, Steven P. and Potrzebowski, Marek J. (2021) Data for Synergy of Solid-State NMR, Single-Crystal X-ray Diffraction, and Crystal Structure Prediction Methods: A Case Study of Teriflunomide (TFM). [Dataset]

2020

Barney, Emma, Laorodphan, Nattapol, Mohd-Noor, Faizani, Holland, Diane, Kempton, Tom, Iuga, Dinu and Dupree, Ray (2020) Toward a structural model for the aluminum tellurite glass system. The Journal of Physical Chemistry C, 124 (37). pp. 20516-20529. doi:10.1021/acs.jpcc.0c04342

Rees, Gregory J., Day, Stephen Paul, Barnsley, Kristian E., Iuga, Dinu, Yates, Jonathan R., Wallis, John D. and Hanna, John V. (2020) Data for Measuring Multiple 17O-13C J-Couplings in Naphthalaldehydic Acid: A Combined Solid State NMR and Density Functional Theory Approach. [Dataset]

Grüne, Marvin, Luxenhofer, Robert, Iuga, Dinu, Brown, Steven P. and Pöppler, Ann-Christin (2020) 14N-1H HMQC solid-state NMR as a powerful tool to study amorphous formulations – an exemplary study of paclitaxel loaded polymer micelles. Journal of Materials Chemistry B . doi:10.1039/D0TB00614A (In Press)

2019

Terrett, Oliver M., Lyczakowski, Jan J., Yu, Li, Iuga, Dinu, Franks, W. Trent, Brown, Steven P., Dupree, Ray and Dupree, Paul (2019) Molecular architecture of softwood revealed by solid-state NMR. Nature Communications, 10 (1). 4978. doi:10.1038/s41467-019-12979-9

Wang, Luning, Menakath, Anjali, Han, Fudong, Wang, Yi, Zavalij, Peter Y., Gaskell, Karen J., Borodin, Oleg, Iuga, Dinu, Brown, Steven P., Wang, Chunsheng, Xu, Kang and Eichhorn, Bryan W. (2019) Identifying the components of the solid–electrolyte interphase in Li-ion batteries. Nature Chemistry, 11 (9). pp. 789-796. doi:10.1038/s41557-019-0304-z

Wang, Luning, Menakath, Anjali, Han, Fudong, Zavalij1, Peter Y., Brown, Steven P., Iuga, Dinu, Wang, Chunsheng, Xu, Kang and Eichhorn1, Bryan W. (2019) Data for Identifying the components of the solid–electrolyte interphase in Li-ion Batteries. [Dataset]

Hughes, Colan E., Walkley, Brant, Gardner, Laura J., Walling, Samuel A., Bernal, Susan A., Iuga, Dinu, Provis, John L. and Harris, Kenneth D.M. (2019) Exploiting in-situ solid-state NMR spectroscopy to probe the early stages of hydration of calcium aluminate cement. Solid State Nuclear Magnetic Resonance, 99 . pp. 1-6. doi:10.1016/j.ssnmr.2019.01.003

2018

Ding, Xiaoyan, Sun, Chao, Cui, Haolin, Chen, Sijin, Gao, Yujiao, Yang, Yanan, Wang, Juan, He, Xiao, Iuga, Dinu, Tian, Fang, Watts, Anthony and Zhao, Xin (2018) Functional roles of tyrosine 185 during the bacteriorhodopsin photocycle as revealed by in situ spectroscopic studies. Biochimica et Biophysica Acta (BBA) - Bioenergetics, 1859 (10). pp. 1006-1014. doi:10.1016/j.bbabio.2018.05.011

Seymour, Valerie R., Day, Stephen Paul, Scholz, Gudrun, Scheurell, Kerstin, Iuga, Dinu, Griffin, John M., Kemnitz, Erhard, Hanna, John V. and Smith, Mark E. (2018) A combined 25 Mg solid-state NMR and Ab Initio DFT approach to probe the local structural differences in magnesium acetate phases Mg(CH3 COO)2 ⋅ nH2 O (n=0, 1, 4). ChemPhysChem, 19 (14). pp. 1722-1732. doi:10.1002/cphc.201800317

Seymour, Valerie R., Day, Stephen Paul, Scholz, Gudrun, Scheurell, Kerstin, Iuga, Dinu, Griffin, John M., Kemnitz, Erhard, Hanna, John V. and Smith, Mark E. (2018) A combined 25 Mg solid-state NMR and Ab initio DFT approach to probe the local structural differences in magnesium acetate phases Mg(CH3 COO)2 ⋅ nH2 O (n=0, 1, 4). ChemPhysChem, 19 (14). pp. 1722-1732. doi:10.1002/cphc.201800317

2017

Maruyoshi, Keisuke, Iuga, Dinu, Watts, Abigail E., Hughes, Colan E., Harris, Kenneth D. M. and Brown, Steven P. (2017) Assessing the detection limit of a minority solid-state form of a pharmaceutical by 1H double-quantum MAS NMR spectroscopy. Journal of Pharmaceutical Sciences, 106 (11). pp. 3372-3377. doi:10.1016/j.xphs.2017.07.014

Grantham, Nicholas J., Wurman-Rodrich, Joel, Terrett, Oliver M., Lyczakowski, Jan J., Stott, Katherine, Iuga, Dinu, Simmons, Thomas J., Durand-Tardif, Mylene, Brown, Steven P., Dupree, Ray, Busse-Wicher, Marta and Dupree, Paul (2017) An even pattern of xylan substitution is critical for interaction with cellulose in plant cell walls. Nature Plants, 3 (11). pp. 859-865. doi:10.1038/s41477-017-0030-8

Öster, Carl, Kosol, Simone, Hartmüller, Christoph, Lamley, Jonathan M., Iuga, Dinu, Oss, Andres, Org, Mai-Liis, Vanatalu, Kalju, Samoson, Ago, Madl, Tobias and Lewandowski, Józef R. (2017) Characterization of protein–protein interfaces in large complexes by solid-state NMR solvent paramagnetic relaxation enhancements. Journal of the American Chemical Society, 139 (35). pp. 12165-12174. doi:10.1021/jacs.7b03875

Öster, Carl, Kosol, Simone, Hartlmuller, Christoph, Lamley, Jonathan M., Iuga, Dinu, Oss, Andres, Org, Mai-Liis, Vanatalu, Kalju, Samoson, Ago, Madl, Tobias and Lewandowski, Józef R. (2017) Data for Characterization of Protein−Protein Interfaces in Large Complexes by Solid-State NMR Solvent Paramagnetic Relaxation Enhancements. [Dataset] (In Press)

Maruyoshi, Keisuke, Iuga, Dinu, Watts, Abigail E., Hughes, Colan E., Harris, Kenneth D.M. and Brown, Steven P. (2017) Data for Assessing the detection limit of a minority solid-state form of a pharmaceutical by 1H double-quantum MAS NMR spectroscopy. [Dataset]

2016

Reddy, Manjunatha, Huqi, Aida, Iuga, Dinu, Sakurai, Satoshi, Marsh, Andrew, Davis, Jeffery T., Masiero, Stefano and Brown, Steven P. (2016) Co-existence of distinct supramolecular assemblies in solution and in the solid state. Chemistry - A European Journal, 23 (10). pp. 2315-2322. doi:10.1002/chem.201604832

Reddy, Manjunatha, Huqi, Aida, Iuga, Dinu, Sakurai, Satoshi, Marsh, Andrew, Davis, Jeffery T., Masiero, Stefano and Brown, Steven P. (2016) Data for Co-existence of distinct supramolecular assemblies in solution and in the solid state. [Dataset]

Laurencin, Danielle, Ribot, François, Gervais, Christel, Wright, Adrian J., Baker, Annabelle R., Campayo, Lionel, Hanna, John V., Iuga, Dinu, Smith, Mark E., Nedelec, Jean-Marie, Renaudin, Guillaume and Bonhomme, Christian (2016) 87Sr,119Sn,127I single and {1H/19F}-double resonance solid-state NMR experiments : application to inorganic materials and nanobuilding blocks. ChemistrySelect, 1 (15). pp. 4509-4519. doi:10.1002/slct.201600805

Deblonde, Gauthier J.-P., Coelho-Diogo, Cristina, Chagnes, Alexandre, Cote, Gérard, Smith, Mark E., Hanna, John V., Iuga, Dinu and Bonhomme, Christian (2016) Multinuclear solid-state NMR investigation of hexaniobate and hexatantalate compounds. Inorganic Chemistry, 55 (12). pp. 5946-5956. doi:10.1021/acs.inorgchem.6b00345

Wei, Juan, Antzutkin, Oleg N., Filippov, Andrei V., Iuga, Dinu, Lam, Pui Yiu, Barrow, Mark P., Dupree, Ray, Brown, Steven P. and O'Connor, Peter B. (2016) Data for Hydrogen Bonding in Alzheimer’s Amyloid-β Fibrils Probed by15N{17O} REAPDOR Solid-State NMR Spectroscopy. [Dataset]

Wei, Juan, Antzutkin, Oleg N., Filippov, Andrei V., Iuga, Dinu, Lam, Pui Yiu, Barrow, Mark P., Dupree, Ray, Brown, Steven P. and O’Connor, Peter B. (2016) Amyloid hydrogen bonding polymorphism evaluated by15N{17O}REAPDOR solid-state NMR and ultra-high resolution fourier transform ion cyclotron resonance mass spectrometry. Biochemistry, 55 (14). pp. 2065-2068. doi:10.1021/acs.biochem.5b01095

2015

Dupree, Ray, Simmons, Thomas J., Mortimer, Jennifer C., Patel, Dharmesh, Iuga, Dinu, Brown, Steven P. and Dupree, Paul (2015) Probing the molecular architecture of Arabidopsis thaliana secondary cell walls using two- and three-dimensional 13C solid state nuclear magnetic resonance spectroscopy. Biochemistry, Volume 54 (Number 14). pp. 2335-2345. doi:10.1021/bi501552k

Reddy, G. N. Manjunatha , Cook, David S., Iuga, Dinu, Walton, Richard I., Marsh, Andrew and Brown, Steven P. (2015) An NMR crystallography study of the hemihydrate of 2′, 3′-O-isopropylidineguanosine. Solid State Nuclear Magnetic Resonance, 65 . pp. 41-48. doi:10.1016/j.ssnmr.2015.01.001

2014

Lamley, Jonathan M., Iuga, Dinu, Öster, Carl, Sass, Hans Jürgen, Rogowski, Marco, Oss, Andres, Past, Jaan, Reinhold, Andres, Grzesiek, Stephan, Samoson, Ago and Lewandowski, Józef R. (2014) Solid-state NMR of a protein in a precipitated complex with a full-length antibody. Journal of the American Chemical Society, Volume 136 (Number 48). pp. 16800-16806. doi:10.1021/ja5069992

Iuga, Dinu, Holland, Diane and Dupree, Ray (2014) A 3D experiment that provides isotropic homonuclear correlations of half-integer quadrupolar nuclei. Journal of Magnetic Resonance, Volume 246 . pp. 122-129. doi:10.1016/j.jmr.2014.07.003

2013

Miah, Habeeba K., Bennett, David A., Iuga, Dinu and Titman, Jeremy J. (2013) Measuring proton shift tensors with ultrafast MAS NMR. Journal of Magnetic Resonance, Volume 235 . pp. 1-5. doi:10.1016/j.jmr.2013.07.005

Tatton, Andrew S., Pham, Tran N., Vogt, Frederick G., Iuga, Dinu, Edwards, Andrew J. and Brown, Steven P. (2013) Probing hydrogen bonding in cocrystals and amorphous dispersions using14N–1H HMQC solid-state NMR. Molecular Pharmaceutics, Volume 10 (Number 3). pp. 999-1007. doi:10.1021/mp300423r

Alderman, Oliver L. G., Iuga, Dinu, Howes, Andrew P., Pike, Kevin J., Holland, Diane and Dupree, Ray (2013) Spectral assignments and NMR parameter–structure relationships in borates using high-resolution 11B NMR and density functional theory. Physical Chemistry Chemical Physics, Volume 15 (Number 21). pp. 8208-8221. doi:10.1039/c3cp50772f

Rees, Gregory J., Day, Stephen Paul, Lari, Alberth, Howes, Andrew P., Iuga, Dinu, Pitak, Mateusz B., Coles, Simon J., Threlfall, Terry L., Light, Mark E., Smith, Mark E., Quigley, David, Wallis, John D. and Hanna, John V. (2013) A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates. CrystEngComm, Volume 15 (Number 43). pp. 8823-8839. doi:10.1039/c3ce41258j

2012

Tatton, Andrew S., Bradley, Jonathan P., Iuga, Dinu and Brown, Steven P. (2012) 14N–1H heteronuclear multiple-quantum correlation magic-angle spinning NMR spectroscopy of organic solids. Zeitschrift für Physikalische Chemie, Volume 226 (Number 11-12). pp. 1187-1204. doi:10.1524/zpch.2012.0308

Bonhomme, Christian, Gervais, Christel, Folliet, Nicolas, Pourpoint, Frédérique, Coelho Diogo, Cristina, Lao, Jonathan, Jallot, Edouard, Lacroix, Joséphine, Nedelec, Jean-Marie, Iuga, Dinu, Hanna, John V., Smith, Mark E., Xiang, Ye, Du, Jincheng and Laurencin, Danielle (2012) 87Sr solid-state NMR as a structurally sensitive tool for the investigation of materials : antiosteoporotic pharmaceuticals and bioactive glasses. Journal of the American Chemical Society, Vol.134 (No.30). pp. 12611-12628. doi:10.1021/ja303505g

Alderman, Oliver L. G., Iuga, Dinu, Howes, Andrew P., Holland, Diane and Dupree, Ray (2012) Double rotation B-11 NMR applied to polycrystalline barium borates. Physics and Chemistry of Glasses - European Journal of Glass Science and Technology Part B, Vol.53 (No.3). pp. 132-140.

Antzutkin, Oleg N., Iuga, Dinu, Filippov, Andrei V., Kelly, Robert T., Becker-Baldus, Johanna, Brown, Steven P. and Dupree, Ray (2012) Hydrogen Bonding in Alzheimer’s Amyloid-β Fibrils Probed by15N{17O} REAPDOR Solid-State NMR Spectroscopy. Angewandte Chemie International Edition, Vol. 51 (No. 41). pp. 10289-10292. doi:10.1002/anie.201203595

Maruyoshi, K., Iuga, Dinu, Antzutkin, Oleg N., Alhalaweh, Amjad, Velaga, Sitaram P. and Brown, Steven P. (2012) Identifying the intermolecular hydrogen-bonding supramolecular synthons in an indomethacin–nicotinamide cocrystal by solid-state NMR. Chemical Communications, Vol. 48 (No. 88). p. 10844. doi:10.1039/c2cc36094b

Griffin, John M., Clark, Lucy, Seymour, Valerie R., Aldous, David W., Dawson, Daniel M., Iuga, Dinu, Morris, Russell E. and Ashbrook, Sharon E. (2012) Ionothermal 17O enrichment of oxides using microlitre quantities of labelled water. Chemical Science, Vol.3 (No.7). pp. 2293-2300. doi:10.1039/c2sc20155k

2011

Webber, Amy L., Masiero, Stefano, Pieraccini, Silvia, Burley, Jonathan C., Tatton, Andrew S., Iuga, Dinu, Pham, Tran N., Spada, Gian Piero and Brown, Steven P. (2011) Identifying guanosine self assembly at natural isotopic abundance by high-resolution 1H and 13C solid-state NMR spectroscopy. Journal of the American Chemical Society, Vol.133 (No.49). pp. 19777-19795. doi:10.1021/ja206516u

Iuga, Dinu (2011) Double-quantum homonuclear correlations of spin I=5/2 nuclei. Journal of Magnetic Resonance, Vol.208 (No.2). pp. 225-234. doi:10.1016/j.jmr.2010.11.007

Aliev, Abil E., Mann, Sam E., Rahman, Aisha S., McMillan, Paul F., Corà, Furio, Iuga, Dinu, Hughes, Colan E. and Harris, Kenneth D. M. (2011) High-Resolution Solid-State2H NMR Spectroscopy of Polymorphs of Glycine. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Vol.115 (No.44). pp. 12201-12211. doi:10.1021/jp207592u

Aliev, Abil E., Mann, Sam E., Iuga, Dinu, Hughes, Colan E. and Harris, Kenneth D. M. (2011) Natural-abundance solid-state 2H NMR spectroscopy at high magnetic field. The Journal of Physical Chemistry A, Vol.115 (No.22). 5568-5578 . doi:10.1021/jp202810k

Montina, Tony, Hazendonk, Paul, Wormald, Philip and Iuga, Dinu (2011) The refocused discrimination induced by variable amplitude minipulses (DIVAM) experiment — Improved domain selection in semicrystalline fluoropolymers by19F solid state nuclear magnetic resonance spectroscopy. Canadian Journal of Chemistry, Vol.89 (No.9). pp. 1065-1075. doi:10.1139/v11-043