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G.Y. Foran, D.H. Brouwer, G.R. Goward "Quantifying Site-Specific Proton Dynamics in Phosphate Solid Acids by 1H Double Quantum NMR Spectroscopy," J. Phys. Chem. C (2017) online. http://dx.doi.org/10.1021/acs.jpcc.7b06034

B. VanSchouwen, R. Ahmed, J. Milojevic, G. Melacini "Functional dynamics in cyclic nucleotide signaling and amyloid inhibition," Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics (2017) online. (Review) http://dx.doi.org/10.1016/j.bbapap.2017.09.005

M. Algamal, R. Ahmed, N. Jafari, B. Ahsan, J. Ortega, G. Melacini "Atomic-Resolution Map of the Interactions between an Amyloid Inhibitor Protein and Amyloid Beta (Aß) Peptides in the Monomer and Protofibril States," Journal of Biological Chemsitry (2017) online. http://dx.doi.org/10.1074/jbc.M117.792853

K.J. Harris, J.M Foster, M.Z. Tessaro, M. Jiang, X. Yang, Y. Wu, B. Protas, G.R. Goward "Structure Solution of Metal-Oxide Li Battery Cathodes from Simulated Annealing and Lithium NMR Spectroscopy," Chemistry of Materials (2017) online. http://dx.doi.org/10.1021/acs.chemmater.7b00836

S. Boulton, M. Akimoto, S. Akbarizadeh, G. Melacini "Free Energy Landscape Remodeling of the Cardiac Pacemaker Channel Explains the Molecular Basis of Familial Sinus Bradycardia" Journal of Biological Chemistry 292 (2017) 6414-6428. http://dx.doi.org/10.1074/jbc.M116.773697

Z.E.M. Reeve, C.J. Franko, K.J. Harris, H. Yadegari, X.-L. Sun, G.R. Goward "Detection of Electrochemical Reaction Products from the Sodium-Oxygen Cell with Solid-State 23Na NMR Spectroscopy," Journal of the American Chemical Society 139 (2017) 595–598. http://dx.doi.org/10.1021/jacs.6b11333

A.D. Bain, "Quadrupole interactions: NMR, NQR, and in between from a single viewpoint," Magnetic Resonance in Chemistry 55 (2017) 198–205. http://dx.doi.org/10.1002/mrc.4418


D.L. Smile, G.R. Goward "Ex Situ 23Na Solid-State NMR Reveals the Local Na-Ion Distribution in Carbon-Coated Na2FePO4F During Electrochemical Cycling," Chem. Mater. 28 (2016) 7645–7656. http://dx.doi.org/10.1021/acs.chemmater.6b02539

Z.B. Yan, D.H. Brouwer, G.R. Goward, "19F Double Quantum NMR Spectroscopy: A Tool for Probing Dynamics in Proton-Conducting Fluorinated Polymer Materials," Macromolecules49 (2016) 7331–7339. http://dx.doi.org/10.1021/acs.macromol.6b01291

N.E. De Almeida, K.J. Harris, A. Samoson, G.R. Goward, "1H–1H Double Quantum NMR Investigation of Proton Dynamics in Solid Acids," Journal of Physical Chemistry C 120 (2016) 19961–19969. http://dx.doi.org/10.1021/acs.jpcc.6b04394

N. Jafari, R. Ahmed, M. Gloyd, J. Bloomfield, P. Britz-McKibbin, G. Melacini, "Allosteric Sensing of Fatty Acid Binding by NMR: Application to Human Serum Albumin," Journal of Medicinal Chemistry 59 (2016) 7457–7465. http://dx.doi.org/10.1021/acs.jmedchem.6b00410

S. Boulton, G. Melacini "Advances in NMR Methods to Map Allosteric Sites: From Models to Translation," Chemical Reviews 116 (2016) 6267-6304. (Review)

A.D. Pauric, S. Jin, T.J. Fuller, M.P. Balogh, I.C. Halalay, and G.R. Goward, "NMR Determination of the Relative Binding Affinity of Crown Ethers for Manganese Cations in Aprotic Non-Aqueous Lithium Electrolyte Solutions," J. Phys. Chem. C 120 (2016) 3677–3683. http://dx.doi.org/10.1021/acs.jpcc.5b12142

A.D. Pauric, I. Halalay and G. Goward, "Combined NMR and Molecular Dynamics Modeling Study of Transport Properties in Sulfonamide Based Deep Eutectic Lithium Electrolytes: LiTFSI Based Binary Systems," Phys. Chem. Chem. Phys. 18 (2016) 6657-6667. http://dx.doi.org/10.1039/c5cp05811b

J. Langer, D.L.Smiley, A.D. Bain, G.R. Goward, and M. Wilkening, "An Unexpected Pathway - 6Li Exchange NMR Points to Vacancy Driven Out-of-Plane Li Ion Hopping in Crystalline Li2SnO3," Journal of Physical Chemistry C 120 (2016) 3130–3138. http://dx.doi.org/10.1021/acs.jpcc.5b09894

A. Sekhar, A.D. Bain, J.A.O. Rumfeldt, E.M. Meiering and L.E. Kay, "Evolution of magnetization due to asymmetric dimerization: theoretical considerations and application to aberrant oligomers formed by apoSOD12SH," Phys. Chem. Chem. Phys. 18 (2016) 5720-5728. http://dx.doi.org/10.1039/c5cp03044g

A.R. MacIntosh, K.J. Harris, and G.R. Goward, "Structure and Dynamics in Functionalized Graphene Oxides through Solid-State NMR," Chem. Mater. 28 (2016) 360-367. http://dx.doi.org/10.1021/acs.chemmater.5b04287

R. Shunmugasundaram, R.S. Arumugam, K.J. Harris, G.R. Goward, J.R. Dahn, "A search for low irreversible capacity and high reversible capacity positive electrode materials in the Li-Ni-Mn-Co pseudo-quaternary system," Chem. Mater. 28 (2016) 55-66. http://dx.doi.org/10.1021/acs.chemmater.5b02104


J.A. Byun, G. Melacini, "Disordered Regions Flanking Ordered Domains Modulate Signaling Transduction," Biophysical Journal 109 (2015) 2447-2448. http://dx.doi.org/10.1016/j.bpj.2015.10.041

S. Tomaselli, K. Pagano, S. Boulton, S. Zanzoni, G. Melacini, H. Molinari and L. Ragona, "Lipid binding protein response to a bile acid library: a combined NMR and statistical approach," FEBS Journal 282 (2015) 4094-4113. http://dx.doi.org/10.1111/febs.13405

Z.E.M. Reeve, A.D. Pauric, K.J. Harris, and G.R. Goward, "Evaluation of the Stability of Trimethyl Phosphate as a Li-O2 Battery Electrolyte via Multinuclear Solid-State NMR," J. Phys. Chem. C 119 (2015) 26840-26848. http://dx.doi.org/10.1021/acs.jpcc.5b08488

B. VanSchouwen, R. Selvaratnam, R. Giri, R. Lorenz, F.W. Herberg, C. Kim and G. Melacini, "Mechanism of cAMP Partial Agonism in Protein Kinase G (PKG)," Journal of Biological Chemistry 290 (2015) 28631-28641. http://dx.doi.org/10.1074/jbc.M115.685305

A.K. Sethurajan, S. Krachkovskiy, I.C. Halalay, G.R. Goward, B. Protas, "Accurate Characterization of Ion Transport Properties in Binary Symmetric Electrolytes Using In-Situ NMR Imaging and Inverse Modeling," J. Phys. Chem. B 119 (2015) 12238-12248. http://dx.doi.org/10.1021/acs.jpcb.5b04300

K.J. Moleschi, M. Akimoto, and G. Melacini, "Measurement of State-Specific Association Constants in Allosteric Sensors through Molecular Stapling and NMR," J. Am. Chem. Soc. 137 (2015) 10777-10785. http://dx.doi.org/10.1021/jacs.5b06557

D.L. Smiley, M.Z. Tessaro, X. He, and G.R. Goward, "Correlation of Electrochemical Performance with Lithium Environments and Cation Dynamics in Li2(Mn1-yFey)P2O7 using 6Li Solid-State NMR," J. Phys. Chem. C 119 (2015) 16468-16474. http://dx.doi.org/10.1021/acs.jpcc.5b04173

K.J. Harris, M. Bugnet, M. Naguib, M.W. Barsoum, and G.R. Goward, "Direct Measurement of Surface Termination Groups and their Connectivity in the 2D MXene V2CTx using NMR Spectroscopy," J. Phys. Chem. C 119 (2015) 13713-13720. http://dx.doi.org/10.1021/acs.jpcc.5b03038

B. VanSchouwen, M. Akimoto, M. Sayadi, F. Fogolari and G. Melacini, "Role of Dynamics in the Auto-Inhibition and Activation of the Hyperpolarization-Activated Cyclic-Nucleotide-Modulated (HCN) Ion Channels," Journal of Biological Chemistry 290 (2015) 17642-17654. http://dx.doi.org/10.1074/jbc.M115.651877

K.J. Harris, Z.E.M. Reeve, D. Wang, X. Li, X. Sun, and G.R. Goward , "Electrochemical Changes in Lithium-Battery Electrodes Studied using 7Li NMR and Enhanced 13C NMR of Graphene and Graphitic Carbons," Chemistry of Materials 27 (2015) 3299-3305. http://dx.doi.org/10.1021/acs.chemmater.5b00323

D. Rettenwander, J. Langer, W. Schmidt, C. Arrer, K.J. Harris, V. Terskikh, G.R. Goward, M. Wilkening, and G. Amthauer, "On the Site Occupation of Ga and Al in Stabilized Cubic Li7-3(x+y)GaxAlyLa3Zr2O12 Garnets as Deduced from 27Al and 71Ga MAS NMR at Ultrahigh Magnetic Fields," Chemistry of Materials 27 (2015) 3135-3142. http://dx.doi.org/10.1021/acs.chemmater.5b00684

Z.E.M. Reeve, G.R. Goward, A.D. Bain, "Identification of Electrochemical Reaction Products in Lithium-Oxygen Cells with 7Li Nutation Spectroscopy," Canadian Journal of Chemistry 93 (2015) 976-982. http://dx.doi.org/10.1139/cjc-2014-0577

N.E. DeAlmeida, D.K. Paul, K. Karan, and G.R. Goward, "1H Solid-State NMR Study of Nanothin Nafion Films," J. Phys. Chem. C 119 (2015) 1280-1285. http://dx.doi.org/10.1021/jp5086747

R.M. Epand, K. D’Souza, B. Berno, M. Schlame, "Membrane Curvature Modulation of Protein Activity Determined by NMR," Biochimica et Biophysica Acta (BBA) - Biomembranes 1848 (2015) 220-228. (Review) http://dx.doi.org/10.1016/j.bbamem.2014.05.004


S. Boulton, M. Akimoto, R. Selvaratnam, A. Bashiri, G. Melacini, "A tool set to map allosteric networks through the NMR chemical shift covariance analysis," Nature Scientific Reports 4 (2014) 7306. http://dx.doi.org/10.1038/srep07306

T.R. Field and A.D. Bain, "Singularities in the lineshape of a second-order perturbed quadrupolar nucleus. The Magic-Angle Spinning Case," Solid State Nuclear Magnetic Resonance 63-63 (2014) 42-47. http://dx.doi.org/10.1016/j.ssnmr.2014.10.005

A. Bain, "Dynamic NMR," in "Modern NMR Techniques for Synthetic Chemistry" Series: New Directions in Organic & Biological Chemistry Published: October 13, 2014 by CRC Press, Editor: Julie Fisher, ISBN: 9781466592247. http://dx.doi.org/10.1201/b17535-3

A. Ibrahim, D. Sørensen, H.A. Jenkins, B.E. McCarry, M.W. Sumarah, "New diplosporin and agistatine derivatives produced by the fungal endophyte Xylaria sp. isolated from Vitis labrusca," Phytochemistry Letters 9 (2014) 179-183. http://dx.doi.org/10.1016/j.phytol.2014.06.011

N.E. De Almeida, G.R. Goward, "Proton Dynamics in Sulfonated Ionic Salt Composites: Alternative Membrane Materials for Proton Exchange Membrane Fuel Cells," Journal of Power Sources 268 (2014) 853-860. http://dx.doi.org/10.1016/j.jpowsour.2014.05.150

T.R. Field and A.D. Bain, "Singularities in the Lineshape of a Second-Order Perturbed Quadrupolar Nucleus and their Use in Data Fitting," Solid State Nuclear Magnetic Resonance 61-62 (2014) 39-48. http://dx.doi.org/10.1016/j.ssnmr.2014.05.003

M. Akimoto, Z. Zhang, S. Boulton, R. Selvaratnam, B. VanSchouwen, M. Gloyd, E.A. Accili, O.F. Lange and G. Melacini, "A Mechanism for the Auto-Inhibition of Hyperpolarization-Activated Cyclic Nucleotide-Gated (HCN) Channel Opening and its Relief by cAMP," Journal of Biological Chemistry 289 (2014) 22205-22220. http://dx.doi.org/10.1074/jbc.M114.572164

S. Boulton, M. Akimoto, B. VanSchouwen, K. Moleschi, R. Selvaratnam, R. Giri and G. Melacini, "Tapping the translation potential of cAMP signalling: molecular basis for selectivity in cAMP agonism and antagonism as revealed by NMR," Biochemical Society Transactions 42 (2014) 302–307. http://dx.doi.org/10.1042/BST20130282

L.A. Matthews, R. Selvaratnam, D.R. Jones, M. Akimoto, B.J. McConkey, G. Melacini, B.P. Duncker, and A. Guarné, "A Novel Non-canonical Forkhead-associated (FHA) Domain-binding Interface Mediates the Interaction between Rad53 and Dbf4 Proteins," Journal of Biological Chemistry 289 (2014) 2589-2599. http://dx.doi.org/10.1074/jbc.M113.517060

M. Akimoto, K. Moleschi, S. Boulton, B. VanSchouwen, R. Selvaratnam, S.S. Taylor and G. Melacini, "Allosteric linkers in cAMP signalling," Biochem. Soc. Trans. 42 (2014) 139-144. http://dx.doi.org/10.1042/BST20130257

G. Wang, B. Mishra, R.F. Epand, R.M. Epand, "High-quality 3D structures shine light on antibacterial, anti-biofilm and antiviral activities of human cathelicidin LL-37 and its fragments," Biochimica et Biophysica Acta (BBA) - Biomembranes 1838 (2014) 2160-2172. (Review) http://dx.doi.org/10.1016/j.bbamem.2014.01.016

J. Milojevic, M. Costa, A.M. Ortiz, J.I. Jorquera, G. Melacini, "In Vitro Amyloid-beta Binding and Inhibition of Amyloid-beta Self-Association by Therapeutic Albumin," Journal of Alzheimer's Disease 38 (2014) 753-765. http://dx.doi.org/10.3233/JAD-131169

T.L. Spencer, N.W. Plagos, D.H. Brouwer and G. Goward, "The Use of 6Li{7Li}-REDOR NMR Spectroscopy to Compare the Ionic Conductivities of Solid-State Lithium Ion Electrolytes," Phys. Chem. Chem. Phys. 16 (2014) 2515-2526. http://dx.doi.org/10.1039/c3cp55132f


M. Leskes, A.J. Moore, G.R. Goward and C.P. Grey, "Monitoring the electrochemical processes in the lithium-air battery by Solid state NMR spectroscopy," Journal of Physical Chemistry C 117 (2013) 26929-26939. http://dx.doi.org/10.1021/jp410429k

S.A. Krachovskiy, A.D. Pauric, I.C. Halalay, and G.R. Goward, "Slice-Selective NMR Diffusion Measurements - a Robust and Reliable Tool for in situ Characterization of Ion Transport Properties in Lithium Ion Battery Electrolytes," Journal of Physical Chemistry Letters 4 (2013) 3940–3944. http://dx.doi.org/10.1021/jz402103f

D.L. Smiley, L.J.M. Davis, and G.R. Goward, "An Improved Understanding of Li+ hopping Pathways and Rates in Li3Fe2(PO4)3 Using Selective Inversion 6Li NMR Spectroscopy," Journal of Physical Chemistry C 117 (2013) 24181-24188. http://dx.doi.org/10.1021/jp407510h

M. Algamal, J. Milojevic, N. Jafari, W. Zhang and G. Melacini, "Mapping the Interactions between the Alzheimer’s Aβ-Peptide and Human Serum Albumin beyond Domain Resolution," Biophysical Journal 105 (2013) 1700-1709. http://dx.doi.org/10.1016/j.bpj.2013.08.025

M. Akimoto, R. Selvaratnam, E.T. McNicholl, G. Verma, S.S. Taylor, G. Melacini, "Signaling through dynamic linkers as revealed by PKA," Proc. Natl. Acad. Sci. USA 110 (2013) 14231-14236. http://dx.doi.org/10.1073/pnas.1312644110

Z.B. Yan, N.E. De Almeida, J.W. Traer and G. Goward, "Dynamics of Benzimidazole Ethylphosphonate: A Solid-State NMR Study of Anhydrous Composite Proton-Conducting Electrolytes," Phys. Chem. Chem. Phys. 15 (2013) 17983-17992. http://dx.doi.org/10.1039/c3cp53362j

A.V. Raditsis, J. Milojevic, G. Melacini, "Aβ Association Inhibition by Transferrin," Biophysical Journal 105 (2013) 473–480. http://dx.doi.org/10.1016/j.bpj.2013.03.065

T.L. Spencer, L.A. O'Dell, I.L. Moudrakovski, and G.R. Goward, "Dynamics of Ag+ Ions in RbAg4I5 Probed Indirectly Via 87Rb Solid-State NMR," Journal of Physical Chemistry C 117 (2013) 9558–9565. http://dx.doi.org/10.1021/jp3125928

T.R. Field and A.D. Bain, "Dynamical theory of spin relaxation," Phys. Rev. E 87 (2013) 022110. http://dx.doi.org/10.1103/PhysRevE.87.022110

T.L. Spencer, G.R. Goward, A.D. Bain, "Complete Description of the Interactions of a Quadrupolar Nucleus with a Radiofrequency Field. Implications for Data Fitting," Solid State Nuclear Magnetic Resonance 53 (2013) 20–26. http://dx.doi.org/10.1016/j.ssnmr.2013.03.002

L.J.M. Davis, G.R. Goward, "Differentiating Lithium Ion Hopping Rates in Vanadium Phosphate versus Vanadium Fluorophosphate Structures Using 1D 6Li Selective Inversion NMR," J. Phys. Chem. C 117 (2013) 7981–7992. http://dx.doi.org/10.1021/jp310790g

cmg A.D. Bain, "NMR quadrupole liouvillians for arbitrary spin: Exact symbolic expressions and perturbation solutions," Concepts in Magnetic Resonance Part A 42A (2013) 45–58.

Z.-Q. Zhu, M.Q. Salih, E. Fynn, A.D. Bain, and C.M. Beaudry, "The Garuganin and Garugamblin Diarylether Heptanoids: Total Synthesis and Determination of Chiral Properties Using Dynamic NMR," J. Org. Chem. 78 (2013) 2881–2896. http://dx.doi.org/10.1021/jo400157d

A. Prodeus, B. Berno, M.K. Topham, R.M. Epand, "The Basis of the Substrate Specificity of the Epsilon Isoform of Human Diacylglycerol Kinase is not a Consequence of Competing Hydrolysis of ATP," Chemistry and Physics of Lipids 166 (2013) 26–30. http://dx.doi.org/10.1016/j.chemphyslip.2012.11.006


R. Selvaratnam, M.T. Mazhab-Jafari, R. Das, G. Melacini, "The Auto-Inhibitory Role of the EPAC Hinge Helix as Mapped by NMR," PLoS ONE 7 (2012) e48707. http://dx.doi.org/10.1371/journal.pone.0048707

M. Schlame, D. Acehan, B. Berno, Y. Xu, S. Valvo, M. Ren, D.L. Stokes & R.M. Epand, "The physical state of lipid substrates provides transacylation specificity for tafazzin," Nature Chemical Biology 8 (2012) 862–869. http://dx.doi.org/10.1038/nchembio.1064

EMR F. Blanc, L. Spencer and G.R. Goward, "Quadrupolar NMR of Ionic Conductors, Batteries, and Other Energy-related Materials" Chapter 20, NMR of Quadrupolar Nuclei in Solid Materials, Eds. R.E. Wasylishen, S.E. Ashbrook, S. Wimperis, Wiley (2012). http://dx.doi.org/10.1002/9780470034590.emrstm1215

M. Tokarska-Schlattner, R.F. Epand, F. Meiler, G. Zandomeneghi, D. Neumann, H.R. Widmer, B.H. Meier, R.M. Epand, V. Saks, T. Wallimann, U. Schlattner, "Phosphocreatine Interacts with Phospholipids, Affects Membrane Properties and Exerts Membrane-Protective Effects," PLoS ONE 7 (2012) e43178. http://dx.doi.org/10.1371/journal.pone.0043178

acie2012 M. Leskes, N.E. Drewett, L.J. Hardwick, P.G. Bruce, G.R. Goward, and C.P. Grey, "Direct Detection of Discharge Products in Lithium–Oxygen Batteries by Solid-State NMR Spectroscopy," Angewandte Chemie International Edition 51 (2012) 8560–8563. (Cover Article) http://dx.doi.org/10.1002/anie.201202183

G.J. Schrobilgen and D.S. Brock, "Noble gases," Annu. Rep. Prog. Chem. Sect. A 108 (2012) 138-145. (Review) http://dx.doi.org/10.1039/c2ic90029g

J.S. Hartman, B. Berno, P. Hazendonk, P. Hens, E. Ye and A.D. Bain, "Spin-lattice relaxation in aluminum-doped semiconducting 4H and 6H polytypes of silicon carbide," Solid State Nuclear Magnetic Resonance 45–46 (2012) 45-50. http://dx.doi.org/10.1016/j.ssnmr.2012.05.003

A.C. Brown, K. Boesze-Battaglia, Y. Du, F.P. Stefano, I.R. Kieba, R.F. Epand, L. Kakalis, P.L. Yeagle, R.M. Epand and E.T. Lally, "Aggregatibacter actinomycetemcomitans leukotoxin cytotoxicity occurs through bilayer destabilization," Cellular Microbiology 14 (2012) 869–881. http://dx.doi.org/10.1111/j.1462-5822.2012.01762.x

R.M. Epand, "Further insights into the properties of the HIV gp41 Fusion Domain: Commentary on the article by A.L. Lai et al.," Journal of Molecular Biology 418 (2012) 1-2. http://dx.doi.org/10.1016/j.jmb.2012.02.022

V.M. D'Costa, T.A. Mukhtar, T. Patel, K. Koteva, N. Waglechner, D.W. Hughes, G.D. Wright, G. De Pascale, "Inactivation of the lipopeptide antibiotic daptomycin by hydrolytic mechanisms," Antimicrobial Agents and Chemotherapy 56 (2012) 757-764. http://dx.doi.org/10.1128/AAC.05441-11

G. Wang, R.F. Epand, B. Mishra, T. Lushnikova, V.C. Thomas, K.W. Bayles, and R.M. Epand, "Decoding the Functional Roles of Cationic Side Chains of the Major Antimicrobial Region of Human Cathelicidin LL-37," Antimicrobial Agents and Chemotherapy 56 (2012) 845–856. http://dx.doi.org/10.1128/AAC.05637-11

A.D. Bain, "The NMR of Quadrupolar Nuclei. Relationship Between Exact and Perturbation Solutions for Spin 3/2," Chemical Physics Letters 531 (2012) 267–271. http://dx.doi.org/10.1016/j.cplett.2012.02.035

R. Selvaratnam, B. VanSchouwen, F. Fogolari, M.T. Mazhab-Jafari, R. Das, G. Melacini, "The Projection Analysis of NMR Chemical Shifts Reveals Extended EPAC Autoinhibition Determinants," Biophysical Journal 102 (2012) 630-639. http://dx.doi.org/10.1016/j.bpj.2011.12.030

L.J.M. Davis, X.J. He, A.D. Bain, G.R. Goward, "Studies of Lithium Ion Dynamics in Paramagnetic Cathode Materials Using 6Li 1D Selective Inversion Methods," Solid State Nuclear Magnetic Resonance 42 (2012) 26-32. http://dx.doi.org/10.1016/j.ssnmr.2012.01.002


F. Blanc, L. Spencer and G.R. Goward, "Quadrupolar NMR of Ionic Conductors, Batteries, and Other Energy-related Materials", Encyclopedia of Magnetic Resonance, Wiley (2011). http://dx.doi.org/10.1002/9780470034590.emrstm1215

B.L. Ellis, T.N. Ramesh, L.J.M. Davis, G.R. Goward, and L.F. Nazar, "Structure and Electrochemistry of Two-Electron Redox Couples in Lithium Metal Fluorophosphates Based on the Tavorite Structure," Chem. Mater. 23 (2011) 5138–5148. http://dx.doi.org/10.1021/cm201773n

L.J.M. Davis, B. Ellis, T.N. Ramesh, L.F. Nazar, A.D. Bain, and G.R. Goward, "6Li 1D EXSY NMR Spectroscopy: A New Tool for Studying Lithium Dynamics in Paramagnetic Materials Applied to Monoclinic Li2V(PO4)F," J. Phys. Chem. C 115 (2011) 22603–22608. http://dx.doi.org/10.1021/jp2059408

A.D. Bain, M. Baron, S.K. Burger, V.J. Kowalewski, M.B. Rodriguez, "Interconversion Study in 1,4-Substituted Six-Membered Cyclohexane-Type Rings. Structure and Dynamics of trans-1,4-Dibromo-1,4-dicyanocyclohexane," J. Phys. Chem. A 115 (2011) 9207-9216. http://dx.doi.org/10.1021/jp205375f

A.D. Bain "Radiofrequency Pulses: Response of Nuclear Spins", Encyclopedia of Magnetic Resonance (2011). http://dx.doi.org/10.1002/9780470034590.emrstm0443.pub2

G.J. Schrobilgen and M. Gerken, "Noble Gas Elements", Encyclopedia of Magnetic Resonance (2011). http://dx.doi.org/10.1002/9780470034590.emrstm0346.pub2

T.L. Spencer, A. Ramzy, V. Thangadurai, and G.R. Goward, "Structural Complexity and Electrical Properties of the Garnet-Type Structure LaLi0.5Fe0.2O2.09 Studied by 7Li and 139La Solid State NMR Spectroscopy and Impedance Spectroscopy," Chemistry of Materials 23 (2011) 3105–3113. http://dx.doi.org/10.1021/cm200823p

M. Ababneh-Khasawneh, B. Fortier-McGill, M. Occhionorelli, and A.D. Bain, "Solvent Effects on Chemical Exchange in a Push-Pull Ethylene as Studied by NMR and Electronic Structure Calculations," J. Phys. Chem. A 115 (2011) 7531-7537. http://dx.doi.org/10.1021/jp201885q

pccp 2011 C.M. Widdifield, A.D. Bain, and D.L. Bryce, "Definitive Solid-State 185/187Re NMR Spectral Evidence for and Analysis of the Origin of High-Order Quadrupole-Induced Effects for I = 5/2," Physical Chemistry Chemical Physics 13 (2011) 12413-12420. (Cover Article) http://dx.doi.org/10.1039/c1cp20572b

R.M. Epand. and R.F. Epand, "Bacterialmembrane lipids in the action of antimicrobial agents," J. Pept. Sci. 17 (2011) 298–305. (Review) http://dx.doi.org/10.1002/psc.1319

R. Selvaratnam, S. Chowdhury, B. VanSchouwen, and G. Melacini, "Mapping allostery through the covariance analysis of NMR chemical shifts," Proc. Natl. Acad. Sci. USA 108 (2011) 6133-6138. http://dx.doi.org/10.1073/pnas.1017311108

D.A. Torchetti, M. Fu, D.C. Christensen, K.J. Nelson, T. Imai, H.C. Lei, and C. Petrovic, "77Se NMR investigation of the KxFe2-ySe2 high-Tc superconductor (Tc=33 K)," Phys. Rev. B 83 (2011) 104508. http://dx.doi.org/10.1103/PhysRevB.83.104508

J.W. Traer, K.J. Soo, M. Vijayakumar, and G.R. Goward, "Elucidating the Time Scale and Geometry of Phosphate and Phosphonate Rotation in Solid Acid Electrolytes Using Multinuclear NMR," J. Phys. Chem. C 115 (2011) 6064–6072. http://dx.doi.org/10.1021/jp1081142

A. Kuhn, S. Narayanan, L. Spencer, G. Goward, V. Thangadurai, and M. Wilkening, "Li self-diffusion in garnet-type Li7La3Zr2O12 as probed directly by diffusion-induced 7Li spin-lattice relaxation NMR spectroscopy," Phys. Rev. B 83 (2011) 094302. http://dx.doi.org/10.1103/PhysRevB.83.094302

C.K. Anand, A.D. Bain, S.C. Watson, "Use of Continuous Optimization Methods to Find Carbon Links in 2D INADEQUATE Spectra," Journal of Magnetic Resonance 210 (2011) 146-150. http://dx.doi.org/10.1016/j.jmr.2011.02.018

L. Spencer, E. Coomes, E. Ye, V. Terskikh, A. Ramzy, V. Thangadurai, and G. Goward, "Structural Analysis of Lanthanum-Containing Battery Materials Using 139La Solid-State NMR," Canadian Journal of Chemistry 89 (2011) 1105-1117. (Special Issue) http://dx.doi.org/10.1139/v11-049

T.L. Spencer, G.R. Goward, A.D. Bain, "Exact Calculation of the Response of a Quadrupolar Nucleus to Radiofrequency Irradiation," Canadian Journal of Chemistry 89 (2011) 764-769. (Special Issue) http://dx.doi.org/10.1139/V11-024

L.J.M. Davis, I. Heinmaa, B.L. Ellis, L.F. Nazar and G.R. Goward, "Influence of particle size on solid solution formation and phase interfaces
in Li0.5FePO4 revealed by 31P and 7Li solid state NMR spectroscopy," Phys. Chem. Chem. Phys. 13 (2011) 5171-5177. http://dx.doi.org/10.1039/c0cp01922d

A.D. Bain, C.K. Anand, Z. Nie, "Exact Solution of the CPMG Pulse Sequence with Phase Variation Down the Echo Train: Application to R2 Measurements," Journal of Magnetic Resonance 209 (2011) 183-194. http://dx.doi.org/10.1016/j.jmr.2011.01.009

progress A.D. Bain and B. Berno, "Liouvillians in NMR: the Direct Method Revisited," Progress in Nuclear Magnetic Resonance Spectroscopy 59 (2011) 223-244. (Invited Review) http://dx.doi.org/10.1016/j.pnmrs.2010.12.002

J. Milojevic, G. Melacini, "Stoichiometry and Affinity of the Human Serum Albumin-Alzheimer's A-beta Peptide Interactions," Biophys J. 100 (2011) 183-192. http://dx.doi.org/10.1016/j.bpj.2009.08.028

R.J. Kalbasi, A.R. Massah, F. Zamani, A.D. Bain, B. Berno, "Metal (Co, Mn)-amine-functionalized mesoporous silica SBA-15: synthesis, characterization and catalytic properties in hydroxylation of benzene", J Porous Mater 18 (2011) 475-482. http://dx.doi.org/10.1007/s10934-010-9400-6


N. Vasdev, M.D. Moran, H.M. Tuononen, R. Chirakal, R.J. Suontamo, A.D. Bain and G.J. Schrobilgen, "NMR Spectroscopic Evidence for the Intermediacy of XeF3- in XeF2/F- Exchange, Attempted Syntheses and Thermochemistry of XeF3- Salts, and Theoretical Studies of the XeF3- Anion", Inorganic Chemistry 49 (2010) 8997-9004. http://dx.doi.org/10.1021/ic101275m

EMR A.D. Bain "COSY: Quantitative Analysis," Chapter 13, Multidimensional NMR Methods for the Solution State (EMR Books), Eds. G.A. Morris and J.W. Emsley, Wiley (2010) pp. 167-176. http://dx.doi.org/10.1002/9780470034590.emrstm0095

A.D. Bain, C.K. Anand, Z. Nie, "Exact Solution to the Bloch Equations and Application to the Hahn Echo", Journal of Magnetic Resonance 206 (2010) 227-240. http://dx.doi.org/10.1016/j.jmr.2010.07.012

A.D. Bain, D.W. Hughes, C.K. Anand, Z. Nie, V.J. Robertson, "Problems, artifacts and solutions in the INADEQUATE NMR experiment," Magnetic Resonance in Chemistry 48 (2010) 630-641. http://dx.doi.org/10.1002/mrc.2639

E.T. McNicholl, R. Das, S. SilDas, S.S. Tayler, G. Melacini, "Communication between Tandem cAMP Binding Domains in the Regulatory Subunit of Protein Kinase A-I alpha as Revealed by Domain-silencing Mutations," J. Biol. Chem. 285 (2010) 15523-15537. http://dx.doi.org/10.1074/jbc.M110.105783

L.S. Cahill, Y. Iriyama, L.F. Nazar and G.R. Goward, "Synthesis of Li4V(PO4)2F2 and 6,7Li NMR studies of its lithium ion dynamics," J. Mater. Chem. 20 (2010) 4340-4346. http://dx.doi.org/10.1039/b926838c

M.J. Hughes, M. Gerken, H.P.A. Mercier and G.J. Schrobilgen, "Syntheses and Multi-NMR Study of fac- and mer-OsO3F2(NCCH3) and the X-ray Crystal Structure (n=2) and Raman Spectrum (n=0) of fac-OsO3F2(NCCH3)·nCH3CN," Inorg. Chem. 49 (2010) 4768–4780. http://dx.doi.org/10.1021/ic100383p

S.K. Amini, H. Shaghaghi, A.D. Bain, A. Chabok, M. Tafazzoli, "Magnetic resonance tensors in uracil: Calculation of 13C, 15N, 17O NMR chemical shifts, 17O and 14N electric field gradients and measurement of 13C and 15N chemical shifts," Solid State Nuclear Magnetic Resonance 37 (2010) 13-20. http://dx.doi.org/10.1016/j.ssnmr.2009.12.001

EMR T.R. Field and A.D. Bain, "Origins of Spin Noise," Applied Magnetic Resonance 38 (2010) 167-178. (Special issue "Spin and Magnetic Field Effects in Chemistry and Related Phenomena"). http://dx.doi.org/10.1007/s00723-009-0107-2

J.W. Traer and G.R. Goward, "The proton dynamics of imidazole methylphosphonate: an example of cooperative ionic conductivity," Physical Chemistry Chemical Physics 12 (2010) 263-272. http://dx.doi.org/10.1039/b917360a

L.J.M. Davis, I. Heinmaa and G.R. Goward, "Study of Lithium Dynamics in Monoclinic Li3Fe2(PO4)3 using 6Li VT and 2D Exchange MAS NMR Spectroscopy," Chem. Mater. 22 (2010) 769–775. (special issue) http://dx.doi.org/10.1021/cm901402u


EMR L.S. Cahill, G.R. Goward "Intermolecular Interactions & Structural Motifs," Chapter 21, NMR Crystallography EMR Handbook, Eds. R.K. Harris, R.E. Wasylishen, M.J. Duer, Wiley (2009) pp. 305-319. http://dx.doi.org/10.1002/9780470034590.emrstm1074

J. Milojevic, A. Raditsis, G. Melacini, "Human Serum Albumin Inhibits A beta Fibrillization through a "Monomer-Competitor" Mechanism," Biophysical Journal 97 (2009) 2585-2594. http://dx.doi.org/10.1016/j.bpj.2009.08.028

cmg R.M. Gregory, A.D. Bain, "The effects of finite rectangular pulses in NMR: Phase and intensity distortions for a spin-1/2," Concepts in Magnetic Resonance Part A 34A (2009) 305-314.

R.M. Epand, R.F. Epand, B. Berno, L. Pelosi and G. Brandolin, "Phosphatidic Acid Association with the Bovine Mitochondrial ADP/ATP Carrier," Biochemistry 48 (2009) 12358–12364. http://dx.doi.org/10.1021/bi901769r

M. Vijayakumar, A.D. Bain and G.R. Goward, "Investigations of Proton Conduction in the Monoclinic Phase of RbH2PO4 Using Multinuclear Solid-State NMR," Journal of Physical Chemistry C 113 (2009) 17950–17957. http://dx.doi.org/10.1021/jp903408v

R. Das, S. Chowdhury, M.T. Mazhab-Jafari, S. SilDas, R. Selvaratnam, G. Melacini, "Dynamically Driven Ligand Selectivity in Cyclic Nucleotide Binding Domains," Journal of Biological Chemistry 284 (2009) 23682-23696. http://dx.doi.org/10.1074/jbc.M109.011700

J.S. Hartman, B. Berno, P. Hazendonk, C. Kirby, E. Ye, J. Zwanziger, A. Bain, "NMR Studies of Nitrogen Doping in the 4H Polytype of Silicon Carbide: Site Assignments and Spin-Lattice Relaxation," Journal of Physical Chemistry C 113 (2009) 15024–15036. http://dx.doi.org/10.1021/jp904639n

J. Kooistra, J. Milojevic, G. Melacini, J. Ortega, "A New Function of Human HtrA2 as an Amyloid-beta Oligomerization Inhibitor," Journal of Alzheimers Disease 17 (2009) 281-294. http://dx.doi.org/10.3233/JAD-2009-1037

S.K. Amini, M. Tafazzoli, H.A. Jenkins, G.R. Goward, A.D. Bain, "Measurement and calculation of 13C and 15N NMR chemical-shift tensors of a push-pull ethylene," Canadian Journal of Chemistry Revue Canadienne De Chimie 87 (2009) 556-563. http://dx.doi.org/10.1139/V09-018

C.K. Anand, A.D. Bain, A. Sharma, "Optimized Sampling Patterns for Multidimensional T2 Experiments," Journal of Magnetic Resonance 197 (2009) 63-70. http://dx.doi.org/10.1016/j.jmr.2008.12.005


H. Huang, J. Milojevic, G. Melacini, "Analysis and optimization of saturation transfer difference NMR experiments designed to map early self-association events in amyloidogenic peptides," Journal of Physical Chemistry B 112 (2008) 5795-5802. http://dx.doi.org/10.1021/jp7118718

R. Das, M.T. Mazhab-Jafari, S. Chowdhury, S. SilDas, R. Selvaratnam, G. Melacini, "Entropy-driven cAMP-dependent allosteric control of inhibitory interactions in exchange proteins directly activated by cAMP," Journal of Biological Chemistry 283 (2008) 19691-19703. http://dx.doi.org/10.1074/jbc.M802164200

R.M. Epand, S. Rotem, A. Mor, B. Berno, and R.F. Epand, "Bacterial Membranes as Predictors of Antimicrobial Potency," Journal of the American Chemical Society 130 (2008) 14346-14352. http://dx.doi.org/10.1021/ja8062327

Y. Makimura, L.S. Cahill, Y. Iriyama, G.R. Goward, and L.F. Nazar, " Layered Lithium Vanadium Fluorophosphate, Li5V(PO4)2F2: A 4 V
Class Positive Electrode Material for Lithium-Ion Batteries," Chemistry of Materials 20 (2008) 4240–4248.

G. Ye, C.M. Mills, G.R. Goward, " Influences of Casting Solvents on Proton Dynamics Within Sulfonated Polyether Ether Ketones (S-PEEK) Studied Using High-resolution Solid State NMR," Journal of Membrane Science 319 (2008) 238-243. http://dx.doi.org/10.1016/j.memsci.2008.03.039

W. Wang, A.D. Bain, Li-Qiong Wang, G.J. Exarhos, and A.D.Q. Li, "Molecular self-assembly inhibition leads to basket-shaped cyclophane formation with chiral dynamics," Journal of Physical Chemistry A 112 (2008) 3094-3103. http://dx.doi.org/10.1021/jp077650a

M. Vijayakumar, J.F. Britten, and G.R. Goward, "Investigations of the Phase Transition and Proton Dynamics in Rubidium Methane Phosphonate Studied by Solid-State NMR," Journal of Physical Chemistry C 112 (2008) 5221-5231. http://dx.doi.org/10.1021/jp710336h

L.S. Cahill, C.W. Kirby, and G.R. Goward, " 6Li { 31P } Rotational-Echo, Double-Resonance Studies of Lithium Ion Site Dynamics in Li3V2(PO4)3," Journal of Physical Chemistry C 112 (2008) 2215-2221. http://dx.doi.org/10.1021/jp077254s

A. Bain, "Chemical Exchange," Annual Reports on NMR Spectroscopy 63 (2008) 23-48. http://www.sciencedirect.com/science/journal/00664103


L.S. Cahill, R.P. Chapman, C.W. Kirby and G.R. Goward, "The Challenge of Paramagnetism in Two-Dimensional 6Li 7Li Exchange NMR," Applied Magnetic Resonance 32 (2007) 565-581.

C.K. Anand, A.D. Bain, Z.H. Nie, "Simulation of steady-state NMR of coupled systems using Liouville space and computer algebra methods," Journal of Magnetic Resonance 189 (2007) 200-208. http://dx.doi.org/10.1016/j.jmr.2007.09.012

J.W. Traer, G.R. Goward, "Solid-state NMR studies of hydrogen bonding networks and proton transport pathways based on anion and cation dynamics," Magnetic Resonance in Chemistry 45 (2007) S135-S143. http://dx.doi.org/10.1002/mrc.2127

G. Ye, B. Fortier-McGill, J.W. Traer, A. Czardybon, G.R. Goward, "Probing proton mobility in polyvinazene and its sulfonated derivatives using 1H solid-state NMR," Macromolecular Chemistry and Physics 208 (2007) 2076-2084. http://dx.doi.org/10.1002/macp.200700203

B. Li, L. Xu, Q. Wu, T. Chen, P. Sun, Q. Jin, D. Ding, X. Wang, G. Xue, A.C. Shi, "Various types of hydrogen bonds, their temperature dependence and water-polymer interaction in hydrated poly(acrylic acid) as revealed by 1H solid-state NMR spectroscopy," Macromolecules 40 (2007) 5776-5786. http://dx.doi.org/10.1021/ma070485c

J.W. Traer, J.F. Britten, G.R. Goward, "A Solid-State NMR Study of Hydrogen-Bonding Networks and Ion Dynamics in Benzimidazole Salts" Journal of Physical Chemistry B 111 (2007) 5602-5609. http://dx.doi.org/10.1021/jp071471b

G. Ye, C.A. Hayden, G.R. Goward, "Proton dynamics of nafion and Nafion/SiO2 composites by solid state NMR and pulse field gradient NMR," Macromolecules 40 (2007) 1529-1537. http://dx.doi.org/10.1021/ma0621876

M.A.M. Forgeron, R.E. Wasylishen, M. Gerken, G.J. Schrobilgen,
"Solid-State 129Xe and 131Xe NMR Study of the Perxenate Anion XeO64-"
Inorganic Chemistry 46 (2007) 3585-3592. http://dx.doi.org/10.1021/ic0624524

D.S. Brock, V. Bilir, H.P.A. Mercier, G.J. Schrobilgen, "XeOF2, F2OXeN equivalent to CCH3, and XeOF2 center dot nHF: Rare examples of Xe(IV) oxide fluorides" Journal Of The American Chemical Society 129 (2007) 3598-3611.

J.S. Hartman, A. Narayanan, S.S. Rigby, D.R. Sliwinski, N.M. Halden, A.D. Bain, "Heterogeneities in sol-gel-derived paramagnetics-doped forsterites and willemites - Electron microprobe analysis and stretched-exponential 29Si MAS NMR spin-lattice relaxation studies" Canadian Journal Of Chemistry Revue Canadienne De Chimie 85 (2007) 56-65.


J.W. Traer, E. Montoneri, A. Samoson, J. Past, T. Tuherm, and G.R. Goward, "Unraveling the Complex Hydrogen Bonding of a Dual-Functionality Proton Conductor Using Ultrafast Magic Angle Spinning NMR, " Journal of the American Chemical Society 128 (2006) 4747-4754. http://dx.doi.org/10.1021/cm060514i

G. Ye, N. Janzen, G.R. Goward, "Solid-state NMR study of two classic proton conducting polymers: Nafion and sulfonated poly(ether ether ketone)s," Macromolecules 39 (2006) 3283-3290. http://dx.doi.org/10.1021/ma0523825

A.D. Bain, H. Chen, P.H.M. Harrison, "Studies of structure and dynamics in a nominally symmetric twisted amide by NMR and electronic structure calculations," Canadian Journal of Chemistry 84 (2006) 421-428.

A.D. Bain, "A simple proof that third-order quadrupole perturbations of the NMR central transition of half-integral spin nuclei are zero," Journal of Magnetic Resonance 179 (2006) 308-310.

A.R. Czardybon and G.R. Goward, "6,7Li NMR study of ion mobility on the molecular scale in lithated imidazole complexes," Solid State Ionics 177 (2006) 1405-1411. http://dx.doi.org/10.1016/j.ssi.2006.07.024

M. Gerken, P. Hazendonk, A. Iuga, J.P. Mack, H.P.A. Mercier and G.J. Schrobilgen, "The solid-state 19F NMR spectrum of [N(CH3)4][IO2F2], a vibrational study of [N(CH3)4][IO3] and [N(CH3)4][IO3]·2H2O, and the X-ray crystal structures of [N(CH3)4][IO2F2] and [N(CH3)4][IO3]," Journal of Fluorine Chemistry 127 (2006) 1328-1338. http://dx.doi.org/10.1016/j.jfluchem.2006.06.014

L.S. Cahill, R.P. Chapman, J.F. Britten, G.R. Goward, "7Li NMR and two-dimensional exchange study of lithium dynamics in monoclinic Li3V2(PO4)(3)," Journal of Physical Chemistry B 110 (2006) 7171-7177. http://dx.doi.org/10.1021/jp057015+