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G.M. Bernard, R.E. Wasylishen, C.I. Ratcliffe, V.V. Terskikh, Q. Wu, J.M. Buriak, T.C. Hauger "Methylammonium Cation Dynamics in Methylammonium Lead Halide Perovskites - A Solid-State NMR Perspective," J. Phys. Chem. A (2018) online. http://dx.doi.org/10.1021/acs.jpca.7b11558


G.I. Danmaliki, P.M. Hwang, P.B. Liu "Stereoselective Deuteration in Aspartate, Asparagine, Lysine, and Methionine Amino Acid Residues Using Fumarate as a Carbon Source for Escherichia coli in D2O," Biochemistry 56 (2017) 6015-6029. http://dx.doi.org/10.1021/acs.biochem.7b00991

G.M. Bernard, A. Goyal, M. Miskolzie, R. McKay, Q. Wu, R.E. Wasylishen, V.K. Michaelis "Methylammonium Lead Chloride: A Sensitive Sample for an Accurate NMR Thermometer," Journal of Magnetic Resonance 283 (2017) 14-21. http://dx.doi.org/10.1016/j.jmr.2017.08.002

M.V. Berjanskii, D.S. Wishart "Unraveling the meaning of chemical shifts in protein NMR," Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics 1865 (2017) 1564-1576. http://dx.doi.org/10.1016/j.bbapap.2017.07.005

B. Zhou, A. Faucher, R. Laskowski, V.V. Terskikh, S. Kroeker, W. Sun, J. Lin, J.-X. Mi, V.K. Michaelis, Y. Pan "Ultrahigh-Field 25Mg NMR and DFT Study of Magnesium Borate Minerals," ACS Earth and Space Chemistry 1 (2017) 299–309. http://dx.doi.org/10.1021/acsearthspacechem.7b00049

A.M. Askar, G.M. Bernard, B.D. Wiltshire, K. Shankar, V.K. Michaelis "Multinuclear Magnetic Resonance Tracking of Hydro, Thermal and Hydrothermal Decomposition of CH3NH3PbI," J. Phys. Chem. C 121 (2017) 1013–1024. http://dx.doi.org/10.1021/acs.jpcc.6b10865

J.L. Markley, R.l. Brüschweiler, A.S. Edison, H.R. Eghbalnia, R. Powers, D. Raftery, D.S. Wishart "The future of NMR-based metabolomics," Current Opinion in Biotechnology 43 (2017) 34–40. (Review)


X. Kong, A. Brinkmann, V. Terskikh, R.E. Wasylishen, G.M. Bernard, Z. Duan, Q. Wu, G. Wu, "Proton Probability Distribution in the O···H···O Low-Barrier Hydrogen Bond: A Combined Solid-State NMR and Quantum Chemical Computational Study of Dibenzoylmethane and Curcumin," Journal of Physical Chemistry B 120 (2016) 11692–11704. http://dx.doi.org/10.1021/acs.jpcb.6b08091

S.A. Cochrane, B. Findlay, A. Bakhtiary, J.Z. Acedo, E.M. Rodriguez-Lopez, P. Mercier, J.C. Vederas, "Antimicrobial lipopeptide tridecaptin A1 selectively binds to Gram-negative lipid II," Proc Natl Acad Sci USA 113 (2016) 11561–11566. http://dx.doi.org/10.1073/pnas.1608623113

A. Faucher, R.E. Wasylishen "Obtaining gas phase NMR parameters from molecular beam and high-resolution microwave spectroscopy," New Developments in NMR 6 (2016) 52-94. (Review)

J.Z. Acedo, M.J. van Belkum, C.T. Lohans, K.M. Towle, M. Miskolzie, and J.C. Vederas, "Nuclear Magnetic Resonance Solution Structures of Lacticin Q and Aureocin A53 Reveal a Structural Motif Conserved among Leaderless Bacteriocins with Broad-Spectrum Activity," Biochemistry 56 (2016) 733-742. http://dx.doi.org/10.1021/acs.biochem.5b01306

Anamika and L. Spyracopoulos, "Molecular Basis for Phosphorylation Dependent SUMO Recognition by the DNA Repair Protein RAP80," Journal of Biological Chemistry 291 (2016) 4417-4428. http://dx.doi.org/10.1074/jbc.M115.705061


A. Faucher, V. Terskikh, E. Ye, G.M. Bernard, and R.E. Wasylishen, "Solid-State 87Sr NMR Spectroscopy at Natural Abundance and High Magnetic Field Strength," Journal of Physical Chemistry A 119 (2015) 11847–11861. http://dx.doi.org/10.1021/acs.jpca.5b09392

M. Berjanskii, D. Arndt, Y. Liang, D.S. Wishart, "A robust algorithm for optimizing protein structures with NMR chemical shifts," Journal of Biomolecular NMR 63 (2015) 255-264. http://dx.doi.org/10.1007/s10858-015-9982-z

H.Yu, X. Tan, G.M. Bernard, V. Terskikh, J.-L. Chen, and R.E. Wasylishen, "Solid-State 63Cu, 65Cu and 31P NMR Spectroscopy of Photoluminescent Copper(I) Triazole Phosphine Complexes," Journal of Physical Chemistry A 119 (2015) 8279–8293. http://dx.doi.org/10.1021/acs.jpca.5b04270

L.N. Soucémarianadin, S.A. Quideau, R.E. Wasylishen, A.D. Munson,"Early-season fires in boreal black spruce forests produce pyrogenic carbon with low intrinsic recalcitrance," Ecology 96 (2015) 1575-1585. http://dx.doi.org/10.1890/14-1196.1.sm

A. Faucher, V. Terskikh and R.E. Wasylishen, "Spin-Spin Coupling Between Quadrupolar Nuclei in Solids: 11B-75As Spin Pairs in Lewis Acid-Base Adducts," Journal of Physical Chemistry A 119 (2015) 6949–6960. http://dx.doi.org/10.1021/acs.jpca.5b04163

S. Ravanbakhsh, P. Liu, T.C. Bjordahl, R. Mandal, J.R. Grant, M. Wilson, R. Eisner, I. Sinelnikov, X. Hu, C. Luchinat, R. Greiner, D.S. Wishart, "Accurate, Fully-Automated NMR Spectral Profiling for Metabolomics," PLoS ONE 10 (2015) e0124219. http://dx.doi.org/10.1371/journal.pone.0124219

S.E. Pineda-Sanabria, I.M. Robertson, and B.D. Sykes, "Structure and dynamics of the acidosis-resistant A162H mutant of the switch region of troponin I bound to the regulatory domain of troponin C," Biochemistry 54 (2015) 3583–3593. http://dx.doi.org/10.1021/acs.biochem.5b00178

P.M. Hwang, B.D. Sykes, "Targeting the sarcomere to correct muscle function," Nature Reviews Drug Discovery 14 (2015) 313–328. (Review) http://dx.doi.org/10.1038/nrd4554

N.E. Hafsa, D. Arndt and D.S. Wishart, "CSI 3.0: a web server for identifying secondary and super-secondary structure in proteins using NMR chemical shifts," Nucl. Acids Res. 43 (2015) W370-W377. http://dx.doi.org/10.1093/nar/gkv494

A. Faucher, V.V. Terskikh, R.E. Wasylishen, "Assessing Distortion of the AF6- (A = As, Sb) Octahedra in Solid Hexafluorometallates(V) via NMR Spectroscopy," Canadian Journal of Chemistry 93 (2015) 938-944. http://dx.doi.org/10.1139/cjc-2015-0082

D. Lee, A. Kraus, D. Prins, J. Groenendyk, I. Aubry, W.-X. Liu, H.-D. Li, O. Julien, N. Touret, B.D. Sykes, M.L. Tremblay and M. Michalak, "UBC9-dependent Association between Calnexin and Protein Tyrosine Phosphatase 1B (PTP1B) at the Endoplasmic Reticulum," Journal of Biological Chemistry 290 (2015) 5725-5738. http://dx.doi.org/10.1074/jbc.M114.635474

L.N. Soucémarianadin, S.A. Quideau, M.D. MacKenzie, A.D. Munson, J. Boiffin, G.M. Bernard, R.E. Wasylishen, "Total and pyrogenic carbon stocks in black spruce forest floors from eastern Canada," Organic Geochemistry 82 (2015) 1–11. http://dx.doi.org/10.1016/j.orggeochem.2015.02.004

S. Lindert, M.X. Li, B.D. Sykes, J.A. McCammon, "Computer-aided drug discovery approach finds calcium sensitizer of cardiac troponin," Chemical Biology and Drug Design 85 (2015) 99-106. http://dx.doi.org/10.1111/cbdd.12381


N.E. Hafsa, D.S. Wishart, "CSI 2.0: a significantly improved version of the Chemical Shift Index," Journal of Biomolecular NMR 60 (2014) 131-146. http://dx.doi.org/10.1007/s10858-014-9863-x

M.K. Rout, C.D. Hodge, C.J. Markin, X. Xu, J.N.M. Glover, W. Xiao, and L. Spyracopoulos, "Stochastic Gate Dynamics Regulate the Catalytic Activity of Ubiquitination Enzymes," J. Am. Chem. Soc. 136 (2014) 17446-17458. http://dx.doi.org/10.1021/ja505440b

P.M. Hwang, F. Cai, S.E. Pineda-Sanabria, D.C. Corson, B.D. Sykes, "The cardiac-specific n-terminal region of troponin I positions the regulatory domain of troponin C," Proc. Natl. Acad. Sci. USA 111 (2014) 14412-14417. http://dx.doi.org/10.1073/pnas.1410775111

S.E. Pineda-Sanabria, O. Julien, and B.D. Sykes, "A versatile cardiac troponin chimera for muscle protein structural biology and drug discovery," ACS Chem. Biol. 9 (2014) 2121–2130. http://dx.doi.org/10.1021/cb500249j

P.A. Lummis, M.R. Momeni, M.W. Lui, R. McDonald, M.J. Ferguson, M. Miskolzie, A. Brown, and E. Rivard, "Accessing Zinc Monohydride Cations through Coordinative Interactions," Angewandte Chemie International Edition 53 (2014) 9347–9351. http://dx.doi.org/10.1002/anie.201404611

C. Alves, B.L. Lee, B.D. Sykes, and L. Fliegel, "Structural and Functional Analysis of the Transmembrane Segment Pair VI and VII of the NHE1 Isoform of the Na+/H+ Exchanger," Biochemistry 53 (2014) 3658–3670. http://dx.doi.org/10.1021/bi500392y

A. Faucher, V.V. Terskikh, R.E. Wasylishen, "Feasibility of Arsenic and Antimony NMR Spectroscopy in Solids: An Investigation of Some Group 15 Compounds," Solid State Nuclear Magnetic Resonance 61-62 (2014) 54–61. http://dx.doi.org/10.1016/j.ssnmr.2014.05.005

N.K. Horvat, H. Armstrong, B.L. Lee, R. Mercier, A. Wolmarans, J. Knowles, L. Spyracopoulos, P. LaPointe, "A Mutation in the Catalytic Loop of Hsp90 Specifically Impairs ATPase Stimulation by Aha1p, But Not Hch1p," Journal of Molecular Biology 426 (2014) 2379–2392. http://dx.doi.org/10.1016/j.jmb.2014.04.002

J.P. Glaves, M.X. Li, P. Mercier, R.P. Fahlman, B.D. Sykes, "High-throughput, multi-platform metabolomics on very small volumes: 1H NMR metabolite identification in an unadulterated tube-in-tube system," Metabolomics 10 (2014) 1145-1151. http://dx.doi.org/10.1007/s11306-014-0678-2

C.M. Preston, C.E. Norris, G.M. Bernard, D.W. Beilman, S.A. Quideau and R.E. Wasylishen, "Carbon and Nitrogen in the Silt-Size Fraction and its HCl-Hydrolysis Residues from Coarse-Textured Canadian Boreal Forest Soils," Can. J. Soil Sci. 94 (2014) 157-168. http://dx.doi.org/10.4141/CJSS2013-082

C. Wang, J. Wu, G.M. Bernard, "Preparation and characterization of canola protein isolate–poly(glycidyl methacrylate) conjugates: A bio-based adhesive," Industrial Crops and Products 57 (2014) 124-131. http://dx.doi.org/10.1016/j.indcrop.2014.03.024

Md H. Mobarok, E.J. Luber, G.M. Bernard, L. Peng, R.E. Wasylishen, J.M. Buriak, "Phase-Pure Crystalline Zinc Phosphide Nanoparticles: Synthetic Approaches and Characterization," Chemistry of Materials 26 (2014) 1925–1935. http://dx.doi.org/10.1021/cm500557f

P. Garbacz, V.V. Terskikh, M.J. Ferguson, G.M. Bernard, M. Kędziorek, and R.E. Wasylishen, "Experimental Characterization of the Hydride 1H Shielding Tensors for HIrX2(PR3)2 and HRhCl2(PR3)2: Extremely Shielded Hydride Protons with Unusually Large Magnetic Shielding Anisotropies," Journal of Physical Chemistry A 118 (2014) 1203–1212. http://dx.doi.org/10.1021/jp411378j

P. Lacy, R.T. McKay, M. Finkel, A. Karnovsky, S. Woehler, M.J. Lewis, D. Chang, K.A. Stringer, "Signal Intensities Derived from Different NMR Probes and Parameters Contribute to Variations in Quantification of Metabolites," PLoS ONE 9 (2014) e85732. http://dx.doi.org/10.1371/journal.pone.0085732

P.K. Baral, M. Swayampakula, M.K. Rout, N.N.V. Kav, L. Spyracopoulos, A. Aguzzi, M.N.G. James, "Structural Basis of Prion Inhibition by Phenothiazine Compounds," Structure 22 (2014) 291–303. http://dx.doi.org/10.1016/j.str.2013.11.009

I.M. Robertson, S.E. Pineda-Sanabria, PC. Holmes, B.D. Sykes, "Conformation of the critical pH sensitive region of troponin depends upon a single residue in troponin I," Archives of Biochemistry and Biophysics 552-553 (2014) 40–49. http://dx.doi.org/10.1016/j.abb.2013.12.003

L. Cui, C.-C. Ling, J. Sadowska, D.R. Bundle, "Synthesis of modified Trichinella spiralis disaccharide epitopes and a comparison of their recognition by chemical mapping and saturation transfer difference NMR," Carbohydrate Research 383 (2014) 1–13. http://dx.doi.org/10.1016/j.carres.2013.10.012

M. Varadi, S. Kosol, P. Lebrun, E. Valentini, M. Blackledge, A.K. Dunker, I.C. Felli, J.D. Forman-Kay, R.W. Kriwacki, R. Pierattelli, J. Sussman, D.I. Svergun, V.N. Uversky, M. Vendruscolo, D. Wishart, P.E. Wright and P. Tompa, "pE-DB: a database of structural ensembles of intrinsically disordered and of unfolded proteins," Nucleic Acids Research 42 (2014) D326-D335. http://dx.doi.org/10.1093/nar/gkt960


S.A. Quideau, C.E. Norris, L.N. Soucémarianadin, R.E. Wasylishen, "Forest Ecology and Soils," eMagRes 2 (2013) 597–608. http://dx.doi.org/10.1002/9780470034590.emrstm1339

S.N. Reinke, B.H. Walsh, G.B. Boylan, B.D. Sykes, L.C. Kenny, D.M. Murray, D.I. Broadhurst, "1H NMR derived metabolomic profile of neonatal asphyxia in umbilical cord serum: Implications for hypoxic ischemic encephalopathy," Journal of Proteome Research 12 (2013) 4230-4239. http://dx.doi.org/10.1021/pr400617m

M.V. Berjanskii and D.S. Wishart, "A simple method to measure protein sidechain mobility using NMR chemical shifts," J. Am. Chem. Soc. 135 (2013) 14536–14539. http://dx.doi.org/10.1021/ja407509z

S. Bouatra, F. Aziat, R. Mandal, A.C. Guo, M.R. Wilson, C. Knox, T.C. Bjorndahl, R. Krishnamurthy, F. Saleem, P. Liu, Z.T. Dame, J. Poelzer, J. Huynh, F.S. Yallou, N. Psychogios, E. Dong, R. Bogumil, C. Roehring, D.S. Wishart, "The Human Urine Metabolome," PLoS ONE 8 (2013) e73076. (open access) http://dx.doi.org/10.1371/journal.pone.0073076

A. Ullah, G. Kemp, B. Lee, C. Alves, H. Young, B.D. Sykes and L. Fliegel, "Structural and functional analysis of transmembrane segment IV of the salt tolerance protein Sod2," Journal of Biological Chemistry 288 (2013) 24609-24624. http://dx.doi.org/10.1074/jbc.M113.483065

G.T. Montelione, M. Nilges, A. Bax, P. Güntert, T. Herrmann, J.S. Richardson, C.D. Schwieters, W.F. Vranken, G.W. Vuister, D.S. Wishart, H.M. Berman, G.J. Kleywegt, J.L. Markley, "Recommendations of the wwPDB NMR Validation Task Force," Structure 21 (2013) 1563-1570. http://dx.doi.org/10.1016/j.str.2013.07.021

A. Brown, R.E. Wasylishen, "Hyperfine Constants for Aluminum Hydride and Aluminum Deuteride," Journal of Molecular Spectroscopy 292 (2013) 8–14. http://dx.doi.org/10.1016/j.jms.2013.08.003

L.N. Soucémarianadin, S.A. Quideau, M.D. MacKenzie, G.M. Bernard, R.E. Wasylishen, "Laboratory charring conditions affect black carbon properties: A case study from Quebec black spruce forests," Organic Geochemistry 62 (2013) 46–55. http://dx.doi.org/10.1016/j.orggeochem.2013.07.005

M. Wang, M.T. Tyree, R.E. Wasylishen, "Magnetic resonance imaging of water ascent in embolized xylem vessels of grapevine stem segments," Canadian Journal of Plant Science 93 (2013) 879-893. http://dx.doi.org/10.4141/cjps2013-025

C.T. Lohans, K.M. Towle, M. Miskolzie, R.T. McKay, M.J. van Belkum, L.M. McMullen, and J.C. Vederas, "Solution Structures of the Linear Leaderless Bacteriocins Enterocin 7A and 7B Resemble Carnocyclin A, a Circular Antimicrobial Peptide," Biochemistry 52 (2013) 3987–3994. http://dx.doi.org/10.1021/bi400359z

D.S. Wishart, "Characterization of biopharmaceuticals by NMR spectroscopy," Trends in Analytical Chemistry 48 (2013) 96–111. (Review) http://dx.doi.org/10.1016/j.trac.2013.03.009

M.R. Richards, Y. Bai, T.L. Lowary, "Comparison between DFT- and NMR-based conformational analysis of methyl galactofuranosides," Carbohydrate Research 374 (2013) 103–114. http://dx.doi.org/10.1016/j.carres.2013.03.030

S.E. Pineda-Sanabria, I.M. Robertson, M.X. Li, B.D. Sykes, "Interaction between the regulatory domain of cardiac troponin C and the acidosis-resistant cardiac troponin i A162H," Cardiovascular Research 97 (2013) 481-489. http://dx.doi.org/10.1093/cvr/cvs348

I.M. Robertson, S.E. Pineda-Sanabria, B.D. Sykes, "Approaches to protein-ligand structure determination by NMR spectroscopy: Applications in drug binding to the cardiac regulatory protein troponin C," Biophysics and Structure to Counter Threats and Challenges, NATO Science for Peace and Security Series B: Physics and Biophysics (2013) Chapter 8, 121-134. http://dx.doi.org/10.1007/978-94-007-4923-8_8

S. Sokolenko, R. McKay, E.J.M. Blondeel, M.J. Lewis, D. Chang, B. George, M.G. Aucoin, "Understanding the variability of compound quantification from targeted profiling metabolomics of 1D-1H-NMR spectra in synthetic mixtures and urine with additional insights on choice of pulse sequences and robotic sampling," Metabolomics 9 (2013) 887-903. http://dx.doi.org/10.1007/s11306-013-0503-3

Z. Gao, J. Wang, A.K. Norquay, K. Qiao, Y. Tang, and J.C. Vederas, "Investigation of Fungal Iterative Polyketide Synthase Functions Using Partially Assembled Intermediates," J. Am. Chem. Soc. 135 (2013) 1735–1738. http://dx.doi.org/10.1021/ja4001823

T. Canam, X. Li, J. Holowachuk, M. Yu, J. Xia, R. Mandal, R. Krishnamurthy, S. Bouatra, I. Sinelnikov, B. Yu, L. Grenkow, D.S. Wishart, H. Steppuhn, K.C. Falk, T.J. Dumonceaux, M.Y. Gruber , "Differential metabolite profiles and salinity tolerance between two genetically-related brown-seeded and yellow-seeded Brassica carinata lines," Plant Science 198 (2013) 17–26. http://dx.doi.org/10.1016/j.plantsci.2012.09.011

F. Chen, G.Ma, G.M. Bernard, R.E. Wasylishen, R.G. Cavell, R. McDonald and M.J. Ferguson, "An Investigation of 1:1 Adducts of Gallium Trihalides with Triarylphosphines by Solid-State 69/71Ga and 31P NMR Spectroscopy," Chemistry - A European Journal 19 (2013) 2826–2838. http://dx.doi.org/10.1002/chem.201202954

B.L. Lee, B.D. Sykes, L. Fliegel, "Structural and Functional Insights into the Cardiac Na+/H+ Exchanger," Journal of Molecular and Cellular Cardiology 61(2013) 60–67. http://dx.doi.org/10.1016/j.yjmcc.2012.11.019

A. Goursot, T. Mineva, J.M. Vasquez, P. Calaminici, A.M. Köster, D.R. Salahub, "Contribution of high-energy conformations to NMR chemical shifts, a DFT-BOMD study," Physical Chemistry Chemical Physics 15 (2013) 860-867. http://dx.doi.org/10.1039/C2CP43514D

R.O. Bahado-Singh, R. Akolekar, R. Mandal, E. Dong, J. Xia, M. Kruger, D.S. Wishart, K. Nicolaides, "First Trimester Metabolomic Detection of Late-Onset Preeclampsia," American Journal of Obstetrics and Gynecology 208 (2013) 58e1–58e7. http://dx.doi.org/10.1016/j.ajog.2012.11.003

H.A. Taha, M.R. Richards, and T.L. Lowary, "Conformational Analysis of Furanoside-Containing Mono- and Oligosaccharides," Chemical Reviews 113 (2013) 1851–1876. (Review) http://dx.doi.org/10.1021/cr300249c


C.J. Markin, L. Spyracopoulos, "Accuracy and precision of protein-ligand interaction kinetics determined from chemical shift titrations," Journal of Biomolecular NMR 54 (2012) 355-376. http://dx.doi.org/10.1007/s10858-012-9678-6

Y. Zhao, T. Luu, G.M. Bernard, T. Taerum, R. McDonald, R.E. Wasylishen, R.R. Tykwinski, "Synthesis, characterization, and solid-state polymerization of cross-conjugated octatetraynes," Canadian Journal of Chemistry 90 (2012) 994-1014. http://dx.doi.org/10.1139/v2012-075

B.C. Feland, G.M. Bernard, R.E. Wasylishen, "A solid-state NMR investigation of the colossal expansion material, Ag3Co(CN)6," Canadian Journal of Chemistry 90 (2012) 891-901. http://dx.doi.org/10.1139/v2012-072

C.T. Lohans, Z. Huang, M.J. van Belkum, M. Giroud, C.S. Sit, E.M. Steels, J. Zheng, R.M. Whittal, L.M. McMullen, and J.C. Vederas, "Structural Characterization of the Highly Cyclized Lantibiotic Paenicidin A via a Partial Desulfurization/ Reduction Strategy," J. Am. Chem. Soc. 134 (2012) 19540–19543. http://dx.doi.org/10.1021/ja3089229

P. Garbacz, K. Jackowski, W. Makulski, and R.E. Wasylishen, "Nuclear Magnetic Shielding for Hydrogen in Selected Isolated Molecules," J. Phys. Chem. A 116 (2012) 11896–11904. http://dx.doi.org/10.1021/jp309820v

C.E. Norris, S.A. Quideau, S.M. Landhäusser, G.M. Bernard and R.E. Wasylishen, "Tracking Stable Isotope Enrichment in Tree Seedlings with Solid-State NMR Spectroscopy," Nature Scientific Reports 2 (2012) 719.

L.K. Greenfield, M.R. Richards, E. Vinogradov, W.W. Wakarchuk, T.L. Lowary and C. Whitfield, "Domain Organization of the Polymerizing Mannosyltransferases Involved in Synthesis of the Escherichia coli O8 and O9a Lipopolysaccharide O Antigens," Journal of Biological Chemistry 287 (2012) 38135-38149. http://dx.doi.org/10.1074/jbc.M112.412577

A. Brown and R.E. Wasylishen, "Nuclear Quadrupole Coupling Constants for N2O: Experiment and Theory," J. Phys. Chem. A 116 (2012) 9769–9776.

Y. Liu, F. Chen, R.E. Wasylishen, Z. Xu, J. Sawada and S.M. Kuznicki, "A Study of Silver Species on Silver-Exchanged ETS-10 and Mordenite by XRD, SEM and Solid-State 109Ag, 29Si and 27Al NMR Spectroscopy", J. Nanosci. Nanotechnol. 12 (2012) 6420-6427.

EMR D.L. Bryce and R.E. Wasylishen, "Quadrupolar Nuclei in Solids: Influence of Different Interactions on Spectra" Chapter 4, 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.emrstm1197

EMR T.T. Nakashima and R.E. Wasylishen, "Sensitivity and Resolution Enhancement of Half-Integer Quadrupolar Nuclei in Solid-State NMR" Chapter 6, 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.emrstm1200

F. Chen, Y. Liu, R.E. Wasylishen, Z. Xu, and S.M. Kuznicki, "Solid-state NMR and TGA studies of silver reduction in chabazite", J. Nanosci. Nanotechnol. 12 (2012) 1988-1993.

B.L. Lee, Y. Liu, X. Li, B.D. Sykes, L. Fliegel, "Structural And Functional Analysis Of Extracellular Loop 4 Of The Nhe1 Isoform of the Na+/H+ Exchanger," Biochimica et Biophysica Acta (BBA) - Biomembranes 1818 (2012) 2783–2790. http://dx.doi.org/10.1016/j.bbamem.2012.06.021

D. Wang, I.M. Robertson, M.X. Li, M.E. McCully, M.L. Crane, Z. Luo, A.-Y. Tu, V. Daggett, B.D. Sykes, and M. Regnier, "Structural and functional consequences of the cardiac troponin C L48Q Ca 2+-sensitizing mutation," Biochemistry 51 (2012) 4473-4487. http://dx.doi.org/10.1021/bi3003007

M. Berjanskii, J. Zhou, Y. Liang, G. Lin, D.S. Wishart, "Resolution-by-proxy: a simple measure for assessing and comparing the overall quality of NMR protein structures," Journal of Biomolecular NMR 53 (2012) 167-180. http://dx.doi.org/10.1007/s10858-012-9637-2

J.A. Iwashkiw, A. Seper, B.S. Weber, N.E. Scott, E. Vinogradov, C. Stratilo, B. Reiz, S.J. Cordwell, R. Whittal, S. Schild, M.F. Feldman, "Identification of a General O-linked Protein Glycosylation System in Acinetobacter baumannii and Its Role in Virulence and Biofilm Formation," PLoS Pathogenes 8 (2012) e1002758. http://dx.doi.org/10.1371/journal.ppat.1002758

D.J. Adamko, B.D. Sykes, and B.H. Rowe, "The Metabolomics of Asthma: Novel Diagnostic Potential," Chest 141 (2012) 1295-1302. (Review) http://dx.doi.org/10.1378/chest.11-2028

S.S.W. Szeto, S.N. Reinke, K.S. Oyedotun, B.D. Sykes and B.D. Lemire, "Expresssion of Saccharomyces cerevisiae Sdh3p and Sdh4p paralogs results in catalytically active succinate dehydrogenase isoenzymes," Journal of Biological Chemistry 287 (2012) 22509-22520. http://dx.doi.org/10.1074/jbc.M112.344275

J. Xia, R. Mandal, I.V. Sinelnikov, D. Broadhurst and D.S. Wishart, "MetaboAnalyst 2.0 - a comprehensive server for metabolomic data analysis," Nucl. Acids Res. 40 (2012) W127-W133. http://dx.doi.org/10.1093/nar/gks374

C.J. Markin, L. Spyracopoulos, "Increased precision for analysis of protein-ligand dissociation constants determined from chemical shift titrations," Journal of Biomolecular NMR 53 (2012) 125-138. http://dx.doi.org/10.1007/s10858-012-9630-9

N. Gunasekara, B. Sykes, J. Hugh, "Characterization of a Novel Weak Interaction between MUC1 and Src-SH3 using Nuclear Magnetic Resonance Spectroscopy," Biochemical and Biophysical Research Communications 421 (2012) 832-836. http://dx.doi.org/10.1016/j.bbrc.2012.04.098

L. Xia, R.B. Zheng, T.L. Lowary, "Revisiting the Specificity of an alfa-(1-4)-Mannosyltransferase Involved in Mycobacterial Methylmannose Polysaccharide Biosynthesis," ChemBioChem 13 (2012) 1139–1151. http://dx.doi.org/10.1002/cbic.201200121

M.A. Johnson, J. Cartmell, N.E. Weisser, R.J. Woods, and D.R. Bundle, "Molecular Recognition of Candida albicans (1->2)-beta-Mannan Oligosaccharides by a Protective Monoclonal Antibody Reveals the Immunodominance of Internal Saccharide Residues," J. Biol. Chem. 287 (2012) 18078-18090. http://dx.doi.org/10.1074/jbc.M112.355578

R. Mandal, P. Kathiria, N. Psychogios, S. Bouatra, R. Krishnamurthy, D. Wishart, I. Kovalchuk, "Progeny of tobacco mosaic virus-infected Nicotiana tabacum plants exhibit trans-generational changes in metabolic profiles," Biocatalysis and Agricultural Biotechnology 1 (2012) 115-123. http://dx.doi.org/10.1016/j.bcab.2012.01.004

R.E. Wasylishen, "Striving for NMR Linewidths of mHz in Liquids to MHz in Solids", Encyclopedia of Magnetic Resonance, Wiley (2012). http://dx.doi.org/10.1002/9780470034590.emrhp1050

M.B. Poulin, R. Zhou, and T.L. Lowary, "Synthetic UDP-galactofuranose analogs reveal critical enzyme–substrate interactions in GlfT2-catalyzed mycobacterial galactan assembly," Organic & Biomolecular Chemistry 10 (2012) 4074-4087. http://dx.doi.org/10.1039/C2OB25159K

C.T. Lohans and J.C. Vederas, "Development of Class IIa Bacteriocins as Therapeutic Agents," International Journal of Microbiology 2012 (2012) 386410. (review) http://dx.doi.org/10.1155/2012/386410

I.M. Robertson, P.C. Holmes, M.X. Li, S.E. Pineda-Sanabria, O.K. Baryshnikova and B.D. Sykes, "Elucidation of Isoform-dependent pH Sensitivity of Troponin I by NMR Spectroscopy," Journal of Biological Chemistry 287 (2012) 4996-5007. http://dx.doi.org/10.1074/jbc.M111.301499

D. Dietrich, M.J. van Belkum and J.C. Vederas, "Characterization of DcsC, a PLP-independent racemase involved in the biosynthesis of D-cycloserine," Org. Biomol. Chem. 10 (2012) 2248-2254. http://dx.doi.org/10.1039/C2OB06864H

C.S. Sit, C.T. Lohans, M.J. van Belkum, C.D. Campbell, M. Miskolzie, and
J.C. Vederas,
Substitution of a Conserved Disulfide in the Type IIa Bacteriocin, Leucocin A, with L-Leucine and L-Serine Residues: Effects on Activity and Three-Dimensional Structure," ChemBioChem 13 (2012) 35–38. http://dx.doi.org/10.1002/cbic.201100634

S.G. Lamarre, A.M. Molloy, S.N. Reinke, B.D. Sykes, M.E. Brosnan, and J.T. Brosnan, "Formate can differentiate between hyperhomocysteinemia due to impaired remethylation and impaired transsulfuration," American Journal of Physiology - Endocrinology and Metabolism 303 (2012) E61-E67. http://dx.doi.org/10.1152/ajpendo.00345.2011

O. Julien, G. Wang, A. Jonckheer, Y. Engelborghs, B.D. Sykes, "Tryptophan side chain conformers monitored by NMR and time-resolved fluorescence spectroscopies," Proteins: Structure, Function and Bioformatics 80 (2012) 239–245. http://dx.doi.org/10.1002/prot.23198

T. Jewison, C. Knox, V. Neveu, Y. Djoumbou, A.C. Guo, J. Lee, P. Liu, R. Mandal, R. Krishnamurthy, I. Sinelnikov, M. Wilson and D.S. Wishart, "YMDB: the Yeast Metabolome Database," Nucl. Acids Res. 40 (2012) D815-D820. http://dx.doi.org/10.1093/nar/gkr916


D.L. Bryce and R.E. Wasylishen, "Quadrupolar Nuclei in Solids: Influence of Different Interactions on Spectra", Encyclopedia of Magnetic Resonance, Wiley (2011). http://dx.doi.org/10.1002/9780470034590.emrstm1197

T.T. Nakashima and R.E. Wasylishen, "Sensitivity and Resolution Enhancement of Half-integer Quadrupolar Nuclei in Solid-state NMR", Encyclopedia of Magnetic Resonance, Wiley (2011). http://dx.doi.org/10.1002/9780470034590.emrstm1200

B.R. Clarke, M.R. Richards, L.K. Greenfield, D. Hou, T.L. Lowary, and C. Whitfield, "In vitro reconstruction of the chain termination reaction in biosynthesis of the Escherichia coli O9a O-polysaccharide: The Chain-length regulator, WbdD, catalyzes the addition of methyl phosphate to the non-reducing terminus of the growing glycan," Journal of Biological Chemistry
286 (2011) 41391–41401. http://dx.doi.org/10.1074/jbc.M111.295857

I.M. Robertson, R.F. Boyko, B.D. Sykes, "Visualizing the principal component of (1)H,(15)N-HSQC NMR spectral changes that reflect protein structural or functional properties: application to troponin C," J. Biomolecular NMR 51 (2011) 115-122. http://dx.doi.org/10.1007/s10858-011-9546-9

D.S. Wishart, "Advances in metabolite identification," Bioanalysis 3 (2011) 1769-1782. http://dx.doi.org/10.4155/BIO.11.155

K.P. Santo, M. Berjanskii, D.S. Wishart, M. Stepanova, "Comparative analysis of essential collective dynamics and NMR-derived flexibility profiles in evolutionarily diverse prion proteins," Prion 5 (2011) 188-200. http://dx.doi.org/10.4161/pri.5.3.16097

cmg R.T. Mckay, "How the 1D-NOESY suppresses solvent signal in metabonomics NMR spectroscopy: An examination of the pulse sequence components and evolution," Concepts in Magnetic Resonance Part A 38A (2011) 197–220.

R. Perez-Pineiro, T.C. Bjorndahl, M.V. Berjanskii, D. Hau, L. Li, A. Huang, R. Lee, E. Gibbs, C. Ladner, Y.W. Dong, A. Abera, N.R. Cashman and D.S. Wishart, "The prion protein binds thiamine," FEBS Journal 278 (2011) 4002–4014. http://dx.doi.org/10.1111/j.1742-4658.2011.08304.x

K. Campbell, K.J. Ooms, M.J. Ferguson, P.J. Stang, R.E. Wasylishen, R.R. Tykwinski, "Shape-persistent macrocycles — Self-assembly reactions and characterization by hyperpolarized 129Xe NMR spectroscopy," Canadian Journal of Chemistry 89 (2011) 1264-1276. http://dx.doi.org/10.1139/v11-077

O. Julien, S. Chatterjee, T.C. Bjorndahl, B. Sweeting, S. Acharya, V. Semenchenko, A. Chakrabartty, E.F. Pai, D.S. Wishart, B.D. Sykes, and N.R. Cashman, "Relative and Regional Stabilities of the Hamster, Mouse, Rabbit, and Bovine Prion Proteins toward Urea Unfolding Assessed by Nuclear Magnetic Resonance and Circular Dichroism Spectroscopies," Biochemistry 50 (2011) 7536-7545. http://dx.doi.org/10.1021/bi200731e

B.D. Sykes, "Special issue: NMR investigations of metabolomics," Journal of Biomolecular NMR 49 (2011) 163-164. http://dx.doi.org/10.1007/s10858-011-9479-3

P.J. Meloncelli, L.J. West, T.L. Lowary, "Synthesis and NMR studies on the ABO histo-blood group antigens: Synthesis of type III and IV structures and NMR characterization of type I-VI antigens," Carbohydrate Research 346 (2011) 1406-1426. http://dx.doi.org/10.1016/j.carres.2011.03.008

C.S. Sit, M.J. van Belkum, R.T. McKay, R.W. Worobo, J.C. Vederas, "The 3D Solution Structure of Thurincin H, a Bacteriocin with Four Sulfur to a-Carbon Crosslinks," Angewandte Chemie International Edition 50 (2011) 8718-8721. http://dx.doi.org/10.1002/anie.201102527

J. Tzeng, B.L. Lee, B.D. Sykes, L. Fliegel, "Structural and functional analysis of critical amino acids in TMVI of the NHE1 isoform of the Na+/H+ exchanger," Biochimica et Biophysica Acta - Biomembranes 1808 (2011) 2327-2335. http://dx.doi.org/10.1016/j.bbamem.2011.05.004

C. Liu, M.R. Richards and T.L. Lowary, "Synthesis and NMR spectroscopic analysis of acylated pentasaccharide fragments of mycobacterial arabinogalactan," Org. Biomol. Chem. 9 (2011) 165-176. http://dx.doi.org/10.1039/c0ob00423e

B. Lee, B.D. Sykes, L. Fliegel, "Structural analysis of the Na+/H+ exchanger isoform 1 (NHE1) using the divide and conquer approach," Biochemistry and Cell Biology-Biochimie et Biologie Cellulaire 89 (2011) 189-199. http://dx.doi.org/10.1139/O10-140

C.S. Sit, R.T. McKay, C. Hill, R.P. Ross, and J.C. Vederas, "The 3D Structure of Thuricin CD, a Two-Component Bacteriocin with Cysteine Sulfur to a-Carbon Cross-links," J. Am. Chem. Soc. 133 (2011) 7680–7683. http://dx.doi.org/10.1021/ja201802f

B. Han, Y. Liu, S.W. Ginzinger and D.S. Wishart, "SHIFTX2: significantly improved protein chemical shift prediction," Journal of Biomolecular NMR 50 (2011) 43-57. http://dx.doi.org/10.1007/s10858-011-9478-4

S.E. Pineda-Sanabria, I.M. Robertson, B.D. Sykes, "Structure of trans-Resveratrol in Complex with the Cardiac Regulatory Protein Troponin C," Biochemistry 50 (2011) 1309-1320. http://dx.doi.org/10.1021/bi101985j

P. Mercier, M.J. Lewis, D. Chang, D. Baker, D.S. Wishart, "Towards automatic metabolomic profiling of high-resolution one-dimensional proton NMR spectra," Journal of Biomolecular NMR 49 (2011) 307-323. http://dx.doi.org/10.1007/s10858-011-9480-x

R. Eisner, C. Stretch, T. Eastman, J. Xia, D. Hau, S. Damaraju, R. Greiner, D.S. Wishart, V.E. Baracos, "Learning to predict cancer-associated skeletal muscle wasting from 1H-NMR profiles of urinary metabolites," Metabolomics 7 (2011) 25-34. http://dx.doi.org/10.1007/s11306-010-0232-9

E.J. Saude, C.D. Skappak, S. Regush, K. Cook, A. Ben-Zvi, A. Becker, R. Moqbel, B.D. Sykes, B.H. Rowe, D.J. Adamko, "Metabolomic profiling of asthma: Diagnostic utility of urine nuclear magnetic resonance spectroscopy," Journal of Allergy and Clinical Immunology 127 (2011) 757-764. http://dx.doi.org/10.1016/j.jaci.2010.12.1077

N. Psychogios, D.D. Hau, J. Peng, A.C. Guo, R. Mandal, S. Bouatra, I.
Sinelnikov, R. Krishnamurthy, R. Eisner, B. Gautam, N. Young, J.
Xia, C. Knox, E. Dong, P. Huang, Z. Hollander, T.L. Pedersen, S.R. Smith, F. Bamforth, R. Greiner, B. McManus, J.W. Newman, T. Goodfriend, D.S. Wishart,
The Human Serum Metabolome," PLoS ONE 6 (2011) e16957. (open access article) http://dx.doi.org/10.1371/journal.pone.0016957

O. Julien, J.R. Beadle, W.C. Magee, S. Chatterjee, K.Y. Hostetler, D.H. Evans, and B.D. Sykes, "Solution Structure of a DNA Duplex Containing the Potent Anti-Poxvirus Agent Cidofovir," J. Am. Chem. Soc. 133 (2011) 2264-2274. http://dx.doi.org/10.1021/ja109823e

T.C. Bjorndahl, G.-P. Zhou, X.i Liu, R. Perez-Pineiro, V. Semenchenko, F. Saleem, S. Acharya, A. Bujold, C.A. Sobsey, and D.S. Wishart, "Detailed Biophysical Characterization of the Acid-induced PrPc to PrPß Conversion Process," Biochemistry 50 (2011) 1162-1173. http://dx.doi.org/10.1021/bi101435c

O. Julien, P. Mercier, C.N. Allen, O. Fisette, C.H.I. Ramos, P. Lagüe, T.M.A. Blumenschein, B.D. Sykes, "Is there nascent structure in the intrinsically disordered region of troponin I?," Proteins: Structure, Function, and Bioinformatics 79 (2011) 1240-1250. http://dx.doi.org/10.1002/prot.22959

C.E. Norris, S.A. Quideau, J.S. Bhatti and R.E. Wasylishen, "Soil carbon stabilization in jack pine stands along the Boreal Forest Transect Case Study," Global Change Biology 17 (2011) 480-494. http://dx.doi.org/10.1111/j.1365-2486.2010.02236.x

progress D.S. Wishart "Interpreting Protein Chemical Shift Data," Progress in Nuclear Magnetic Resonance Spectroscopy 58 (2011) 62-87. (Invited Review) http://dx.doi.org/10.1016/j.pnmrs.2010.07.004


R.M. Slevinsky, T. Temga, M. Mouattamid and H. Safouhi, "One- and two-center ETF-integrals of first order in relativistic calculation of NMR parameters," J. Phys. A: Math. Theor. 43 (2010) 225202. http://dx.doi.org/10.1088/1751-8113/43/22/225202

I.M. Robertson, Y.B. Sun, M.X. Li, B.D. Sykes, "A structural and functional perspective into the mechanism of Ca2+ -sensitizers that target the cardiac troponin complex," J. Molecular and Cellular Cardiology 49 (2010) 1031-1041. http://dx.doi.org/10.1016/j.yjmcc.2010.08.019

C.J. Markin, L.F. Saltibus, M.J. Kean, R.T. McKay, W. Xiao, and L. Spyracopoulos, "Catalytic Proficiency of Ubiquitin Conjugation Enzymes: Balancing pKa Suppression, Entropy, and Electrostatics," J. Am. Chem. Soc. 132 (2010) 17775–17786. http://dx.doi.org/10.1021/ja105267w

B.N. Ametaj, Q. Zebeli, F. Saleem, N. Psychogios, M.J. Lewis, S.M. Dunn, J.G. Xia, D.S. Wishart, "Metabolomics reveals unhealthy alterations in rumen metabolism with increased proportion of cereal grain in the diet of dairy cows," Metabolomics 6 (2010) 583-594.

J. Tzeng, B.L. Lee, B.D. Sykes and L. Fliegel, "Structural and Functional Analysis of Transmembrane Segment VI of the NHE1 Isoform of the Na+/H+ Exchanger," Journal of Biological Chemistry 285 (2010) 36656-36665. http://dx.doi.org/10.1074/jbc.M110.161471

S. Szeto, S. Reinke, B.D. Sykes, and B.D. Lemire, "Mutations in the Saccharomyces cerevisiae Succinate Dehydrogenase Result in Distinct Metabolic Phenotypes Revealed Through 1H-NMR-Based Metabolic Footprinting," J. Proteome Res. 9 (2010) 6729-6739. http://dx.doi.org/10.1021/pr100880y

M. Oleszczuk, B.D. Sykes, "Advances in Biological NMR circa WWMR 2010 in Florence," Journal of Magnetic Resonance 207 (2010) 1-7. http://dx.doi.org/10.1016/j.jmr.2010.09.015

S.N. Reinke, X. Hu, B.D. Sykes, B.D. Lemire, "Caenorhabditis elegans diet significantly affects metabolic profile, mitochondrial DNA levels, lifespan and brood size," Molecular Genetics and Metabolism 100 (2010) 274-282. http://dx.doi.org/10.1016/j.ymgme.2010.03.013

EMR T.T. Nakashima and R.E.D. McClung "Heteronuclear Shift Correlation Spectroscopy," Chapter 22, Multidimensional NMR Methods for the Solution State (EMR Books), Eds. G.A. Morris and J.W. Emsley, Wiley (2010) pp. 289-304. http://dx.doi.org/10.1002/9780470034590.emrstm0209

K. Mauldin, B.L. Lee, M. Oleszczuk, B.D. Sykes, R.O. Ryan, "The Carboxyl-Terminal Segment of Apolipoprotein A-V Undergoes a Lipid-Induced Conformational Change," Biochemistry 49 (2010) 4821-4826. http://dx.doi.org/10.1021/bi1005859

B.W. Wang, Y.J. Wang, D.S. Wishart, "A probabilistic approach for validating protein NMR chemical shift assignments," Journal of Biomolecular NMR 47 (2010) 85-99. http://dx.doi.org/10.1007/s10858-010-9407-y

M. Wang, K.W. Feindel, S.H. Bergens, R.E. Wasylishen, "In situ quantification of the in-plane water content in the Nafion membrane of an operating polymer-electrolyte membrane fuel cell using 1H micro-magnetic
resonance imaging experiments," Journal of Power Sources 195 (2010) 7316-7322. http://dx.doi.org/10.1016/j.jpowsour.2010.05.029

M. Berjanskii, Y. Liang, J. Zhou, P. Tang, P. Stothard, Y. Zhou, J. Cruz, C. Macdonell, G. Lin, P. Lu, D.S. Wishart, "PROSESS: a protein structure evaluation suite and server," Nucleic Acids Res 38 (2010) 633-640. http://dx.doi.org/10.1093/nar/gkq375

E.M. Lane, T.W. Chapp, R.P. Hughes, D.S. Glueck, B.C. Feland,
G.M. Bernard, R.E. Wasylishen, and A.L. Rheingold,
"Synthesis of Gold Phosphido Complexes Derived from Bis(secondary) Phosphines. Structure of Tetrameric [Au(MesP(CH2)3PMes)Au]4," Inorg. Chem. 49 (2010) 3950-3957. http://dx.doi.org/10.1021/ic100219j

F. Chen, G. Ma, G. Bernard, R. Cavell, R. McDonald, M. Ferguson, R. Wasylishen, "Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts," Journal of the American Chemical Society 132 (2010) 5479-5493. http://dx.doi.org/10.1021/ja100625p

F. Chen, R.E. Wasylishen, "Structural characterization of silver dialkylphosphite salts using solid-state 109Ag and 31P NMR spectroscopy, IR spectroscopy and DFT calculations," Magnetic Resonance in Chemistry 48 (2010) 270-275. http://dx.doi.org/10.1002/mrc.2572

M. Oleszczuk, I.M. Robertson, M.X. Li, B.D. Sykes, "Solution Structure of the Regulatory Domain of Human Cardiac Troponin C in Complex with the Switch Region of Cardiac Troponin I and W7: The Basis of W7 as an Inhibitor of Cardiac Muscle Contraction," Journal of Molecular and Cellular Cardiology 48 (2010) 925-933. http://dx.doi.org/10.1016/j.yjmcc.2010.01.016

H.A. Enloe, S.A. Quideau, R.C. Graham, S.C. Sillett, S.-W. Oh, and R.E. Wasylishen, "Soil Organic Matter Processes in Old-Growth Redwood Forest Canopies," Soil Sci Soc Am J 74 (2010) 161–171. http://dx.doi.org/10.2136/sssaj2009.0031

T. Reddy, X. Li, L. Fliegel, B.D. Sykes, J.K. Rainey, "Correlating structure, dynamics, and function in transmembrane segment VII of the Na+/H+ exchanger isoform 1," Biochimica et Biophysica Acta (BBA) - Biomembranes 1798 (2010) 94-104. (special issue) http://dx.doi.org/10.1016/j.bbamem.2009.06.025

H.A. Taha, N. Castillo, D.N. Sears, R.E. Wasylishen, T.L. Lowary and P.-N. Roy, "Conformational Analysis of Arabinofuranosides: Prediction of 3JH,H Using MD Simulations with DFT-Derived Spin-Spin Coupling Profiles," J. Chem. Theory Comput. 6 (2010) 212-222. http://dx.doi.org/10.1021/ct900477x

T.T. Nakashima, K.J. Harris, R.E. Wasylishen, "Pulse FT NMR of Nonequilibrium States of Half-Integer Spin Quadrupolar Nuclei in Single Crystals," Journal of Magnetic Resonance 202 (2010) 162-172. http://dx.doi.org/10.1016/j.jmr.2009.11.002


EMR R.E. Wasylishen "Dipolar & Indirect Coupling: Basics," Chapter 10, NMR Crystallography EMR Handbook, Eds. R.K. Harris, R.E. Wasylishen, M.J. Duer, Wiley (2009) pp. 127-136. http://dx.doi.org/10.1002/9780470034590.emrstm1023

B.L. Lee, X.J. Li, Y.S. Liu, B.D. Sykes, L. Fliegel, "Structural and functional analysis of extracellular loop 2 of the Na+/H+ exchanger," Biochimica et Biophysica Acta (BBA) - Biomembranes 1788 (2009) 2481-2488. http://dx.doi.org/10.1016/j.bbamem.2009.10.004

O. Julien, S. Chatterjee, A. Thiessen, S.P. Graether, B.D. Sykes, "Differential stability of the bovine prion protein upon urea unfolding," Protein Science 18 (2009) 2172-2182. http://dx.doi.org/10.1002/pro.231

K.J. Harris, D.L. Bryce and R.E. Wasylishen, "NMR line shapes from AB spin systems in solids — The role of antisymmetric spin–spin coupling," Canadian Journal of Chemistry 87 (2009) 1338-1351.

I.M. Robertson, M.X. Li, B.D. Sykes, "Solution Structure of Human Cardiac Troponin C in Complex with the Green Tea Polyphenol, (-)-Epigallocatechin 3-Gallate," Journal of Biological Chemistry 284 (2009) 23012-23023. http://dx.doi.org/10.1074/jbc.M109.021352

O. Julien, P. Mercier, M.L. Crane, B.D. Sykes, "The effect of the cosolvent trifluoroethanol on a tryptophan side chain orientation in the hydrophobic core of troponin C," Protein Science 18 (2009) 1165-1174. http://dx.doi.org/10.1002/pro.121

P.S. Hauser, V. Raussens, T. Yamamoto, G.E. Abdullahi, P.M.M. Weers, B.D. Sykes, R.O. Ryan, "Semisynthesis and segmental isotope labeling of the apoE3 N-terminal domain using expressed protein ligation," Journal of Lipid Research 50 (2009) 1548-1555. http://dx.doi.org/10.1194/jlr.M800554-JLR200

O. Julien, S.P. Graether, B.D. Sykes, "Monitoring Prion Protein Stability by NMR," Journal of Toxicology and Environmental Health A 72 (2009) 1069-1074. http://dx.doi.org/10.1080/15287390903084504

F. Chen, S.-W. Oh, and R.E. Wasylishen, "A Solid-State 31P NMR Study of 1:1 Silver-triphenylphosphine complexes - Interpretation of 1J(107,109Ag, 31P) Values," Canadian Journal of Chemistry 87 (2009) 1090-1101. http://dx.doi.org/10.1139/V09-076

K. Huynh, A.J. Lough, M.A.M. Forgeron, M. Bendle, A.P. Soto, R.E. Wasylishen, and I. Manners, "Synthesis and Reactivity of Phosphine-Stabilized Phosphoranimine Cations, [R3P·PR2][NSiMe3]+," J. Am. Chem. Soc. 131 (2009) 7905-7916. http://dx.doi.org/10.1021/ja900256g

M.E. Halse, P.T. Callaghan, B.C. Feland and R.E. Wasylishen, "Quantitative analysis of Earth’s field NMR spectra of strongly-coupled heteronuclear systems," Journal of Magnetic Resonance 200 (2009) 88-94. http://dx.doi.org/10.1016/j.jmr.2009.06.012

B.L. Lee, X.J. Li, Y.S. Liu, B.D. Sykes, L. Fliegel, "Structural and Functional Analysis of Transmembrane XI of the NHE1 Isoform of the Na+/H+ Exchanger," Journal of Biological Chemistry 284 (2009) 11546-11556. http://dx.doi.org/10.1074/jbc.M809201200

R.M.B. Hoffman and B.D. Sykes, "Structure of the Inhibitor W7 Bound to the Regulatory Domain of Cardiac Troponin C," Biochemistry 48 (2009) 5541–5552. http://dx.doi.org/10.1021/bi9001826

M.J. Willans, R.E. Wasylishen and R. McDonald, "Polymorphism of Potassium Ferrocyanide Trihydrate as Studied by Solid-State Multinuclear NMR Spectroscopy and X-ray Diffraction," Inorganic Chemistry 48 (2009) 4342–4353. http://dx.doi.org/10.1021/ic802134j

F. Jalilehvand, V. Mah, B.O. Leung, J. Mink, G.M. Bernard, L. Hajba, "Cadmium(II) Cysteine Complexes in the Solid State: A
Multispectroscopic Study," Inorganic Chemistry 48 (2009) 4219-4230. http://dx.doi.org/10.1021/ic900145n

C.E. Norris, S.A. Quideau, J.B. Bhatti, R.E. Wasylishen, and M.D. Mackenzie, "Influence of Fire and Harvest on Soil Organic Carbon in Jack Pine Sites," Can. J. For. Res. 39 (2009) 642-654. http://dx.doi.org/10.1139/X08-207

T.T. Nakashima, R. Teymoori, R.E. Wasylishen, "Using hyperbolic secant pulses to assist characterization of chemical shift tensors for half-integer spin quadrupolar nuclei in MAS powder samples," Magnetic Resonance in Chemistry 47 (2009) 465-471. http://dx.doi.org/10.1002/mrc.2413

K.J. Harris and R.E. Wasylishen, "A 13C and 15N Solid-State NMR Study of Structural Disorder and Aurophilic Bonding in Au I and Au III Cyanide Complexes," Inorganic Chemistry 48 (2009) 2316–2332. http://dx.doi.org/10.1021/ic8022198

K.J. Ooms, G.M. Bernard, A. Kadziola, P. Kofod, and R.E. Wasylishen, "Solid-state 13C and 59Co NMR spectroscopy of 13C methylcobalt(III) complexes with amine ligands," Physical Chemistry Chemical Physics 11 (2009) 2690-2699. http://dx.doi.org/10.1039/B820753D

E.J. Saude, I.P. Obiefuna, R.L. Somorjai, F. Ajamian, C. Skappak, T. Ahmad, B.K. Dolenko, B.D. Sykes, R. Moqbel, D.J. Adamko, "Metabolomic Biomarkers in a Model of Asthma Exacerbation Urine Nuclear Magnetic Resonance," American Journal of Respiratory and Critical Care Medincine 179 (2009) 25-34. http://dx.doi.org/10.1164/rccm.200711-1716OC

B.A. Demko, R.E. Wasylishen, "Probing solid iminobis(diorganophosphine chalcogenide) systems with multinuclear magnetic resonance," Canadian Journal of Chemistry 87 (2009) 348-360. http://dx.doi.org/10.1139/V08-150

D.S. Wishart, C. Knox, A.C. Guo, R. Eisner, N. Young, B. Gautam, D.D. Hau, N. Psychogios, E. Dong, S. Bouatra, R. Mandal, I. Sinelnikov, J. Xia, L. Jia, J.A. Cruz, E. Lim, C.A. Sobsey, S. Shrivastava, P. Huang, P. Liu, L. Fang, J. Peng, R. Fradette, D. Cheng, D. Tzur, M. Clements, A. Lewis, A. De Souza, A. Zuniga, M. Dawe, Y. Xiong, D. Clive, R. Greiner, A. Nazyrova, R. Shaykhutdinov, L. Li, H.J. Vogel and I. Forsythe, "HMDB: A knowledgebase for the human metabolome," Nucleic Acids Research 37 (2009) Supplementary Issue #1, D603-D610. http://dx.doi.org/10.1093/nar/gkn810

progress B.A. Demko, R.E. Wasylishen, "Solid-State Selenium-77 NMR," Progress in Nuclear Magnetic Resonance Spectroscopy 54 (2009) 208-238. http://dx.doi.org/10.1016/j.pnmrs.2008.10.002

Y. Liu, F. Chen, S.M. Kuznicki, R.E. Wasylishen and Z. Xu, "A Novel Method to Control the Size of Silver Nanoparticles Formed on Chabazite", J. Nanosci. Nanotechnol. 9 (2009) 2768–2771.


O.K. Baryshnikova, I.M. Robertson, P. Mercier, B.D. Skykes, "Dilated cardiomyopathy G159D mutation in cardiac troponin C weakens the anchoring interaction with troponin I", Biochemistry 47 (2008) 10950-10960. http://dx.doi.org/10.1021/bi801165c

T. Reddy, J. Ding, X.J. Li, B.D. Sykes, J.K. Rainey, L. Fliegel, "Structural and functional characterization of transmembrane segment IX of the NHE1 isoform of the Na+/H+ exchanger," Journal of Biological Chemistry 283 (2008) 22018-22030. http://dx.doi.org/10.1074/jbc.M803447200

F. Chen, G. Ma, R.G. Cavell, V.V. Terskikh, and R.E. Wasylishen, "Solid-State 115In NMR Study of Indium Coordination Complexes," Chem Comm (2008) 5933-5935. http://dx.doi.org/10.1039/b814326a

D.M. Stefanescu, D.S. Glueck, R. Siegel and R.E. Wasylishen, "Synthesis and characterization of gold nanoparticles with surface ligands derived from a primary phosphine," J. Clust. Sci. 19 (2008) 445-458. http://dx.doi.org/10.1007/s10876-008-0186-5

G.M. Bernard, K.W. Feindel, R.E. Wasylishen, and T.S. Cameron, "Solid-State 31P NMR Spectroscopy of a Multiple-Spin System: An Investigation of a Rhodium-Triphosphine Complex," Physical Chemistry Chemical Physics 10 (2008) 5552-5563. (Hot Article) http://dx.doi.org/10.1039/b803596b

I.M. Robertson, O.K. Baryshnikova, M.X. Li, B.D. Sykes, "Defining the Binding Site of Levosimendan and Its Analogues in a Regulatory Cardiac Troponin C-Troponin I Complex", Biochemistry 47 (2008) 7485-7495. http://dx.doi.org/10.1021/bi800438k

O. Julien, P. Mercier, L. Spyracopoulos, J.E.T. Corrie, B.D. Sykes, "NMR studies of the dynamics of a bifunctional rhodamine probe attached to troponin C", Journal of the American Chemical Society 130 (2008) 2602-2609. http://dx.doi.org/10.1021/ja0772694

O.K. Baryshnikova, M.X. Li, B.D. Sykes, "Modulation of cardiac troponin C function by the cardiac-specific n-terminus of troponin I: Influence of PKA phosphorylation and involvement in cardiomyopathies", Journal of Molecular Biology 375 (2008) 735-751. http://dx.doi.org/10.1016/j.jmb.2007.10.062

O. Julien, Y.B. Sun, X. Wang, D.A. Lindhout, A. Thiessen, M. Irving, B.D. Sykes, "Tryptophan mutants of cardiac troponin C: 3D structure, troponin I affinity, and in Situ activity", Biochemistry 47 (2008) 597-606. http://dx.doi.org/10.1021/bi702056g

O.K. Baryshnikova, T.C. Williams and B.D. Sykes, "Internal pH indicators for biomolecular NMR," Journal of Biomolecular NMR 41 (2008) 5-7. http://dx.doi.org/10.1007/s10858-008-9234-6

D.S. Wishart, "Quantitative metabolomics using NMR," Trends in Analytical Chemistry 27 (2008) 228-237. http://dx.doi.org/10.1016/j.trac.2007.12.001

B.A. Demko and R.E. Wasylishen, "Comparing Main Group and Transition Metal Square-Planar Complexes of the Diselenoimidodiphosphinate Anion: A Solid-State NMR Investigation of M[N(iPr2PSe)2]2 (M= Se, Te, Pd, Pt)," Inorganic Chemistry 47 (2008) 2786-2797. http://dx.doi.org/10.1021/ic7019999

M.A.M. Forgeron and R.E. Wasylishen, "A solid-state 53Cr NMR study of chromate and dichromate salts," Magnetic Resonance in Chemistry 46 (2008) 206-214. http://dx.doi.org/10.1002/mrc.2164

M.J. Willans, D.N. Sears and R.E. Wasylishen, "The Effectiveness of 1H Decoupling in the 13C MAS NMR of Paramagnetic Solids: An Experimental Case Study Incorporating Copper(II) Amino Acid Complexes," Journal of Magnetic Resonance 191 (2008) 31-46. http://dx.doi.org/10.1016/j.jmr.2007.11.012

M.A. M. Forgeron and R.E. Wasylishen, "Molybdenum magnetic shielding and quadrupolar tensors for a series of molybdate salts: a solid-state 95Mo NMR study," Physical Chemistry Chemical Physics 10 (2008) 574-581. http://dx.doi.org/10.1039/b713276j

T.T. Nakashima, R.E. Wasylishen, R. Siegel and K.J. Ooms, "Sensitivity Enhancement of Solid-State NMR Spectra of Half-Integer Spin Quadrupolar Nuclei: Double- or Single Frequency Sweeps? Insights from the Hyperbolic Secant Experiment" Chemical Physics Letters 450 (2008) 417-421. http://dx.doi.org/10.1016/j.cplett.2007.11.032

B.A. Demko and R.E. Wasylishen, "A solid-state NMR investigation of single-source precursors for group 12 metal selenides; M[N(iPr2PSe)2]2 (M = Zn, Cd, Hg)," Dalton Transactions (2008) 481-490. http://dx.doi.org/10.1039/b712011g


K.W. Feindel, S.H. Bergens, R.E. Wasylishen, "Use of hydrogen–deuterium exchange for contrast in 1H NMR microscopy investigations of an operating PEM fuel cell," Journal of Power Sources 173 (2007) 86-95. http://dx.doi.org/10.1016/j.jpowsour.2007.04.079

J.S. Devries, X. Zhao, B.D. Sykes, "A 19F and 1H goniometric split-millicoil NMR probe for solid-state NMR," Concepts in Magnetic Resonance Part B: Magnetic Resonance Engineering 31B (2007) 203-208. http://dx.doi.org/10.1016/10.1002/cmr.b.20098

D.A. Dickie, P.T. K. Lee, O.A. Labeodan, G. Schatte, N. Weinberg, A.R. Lewis, G.M. Bernard, R.E. Wasylishen and J.A.C. Clyburne, "Flexible coordination of the carboxylate ligand in tin(II) amides and a 1,3-diaza-2,4-distannacyclobutanediyl," Dalton Transactions (2007) 2862-2869.

M. Wang, G.M. Bernard, R.E. Wasylishen, P. Choi, "A Solid-State 13C NMR Investigation of the Morphology of Single-Site and Ziegler-Natta Linear Low-Density Polyethylenes with Varying Branch Contents," Macromolecules 40 (2007) 6594 -6599. http://dx.doi.org/10.1021/ma071119w

X. Zhao, J.S. DeVries, R. McDonald and B.D. Sykes, "Determination of the 19F NMR Chemical Shielding Tensor and Crystal Structure of 5-Fluoro-Dl-Tryptophan," Journal of Magnetic Resonance 187 (2007) 88-96. http://dx.doi.org/10.1016/j.jmr.2007.03.022

J.K. Rainey, J.S. DeVries, B.D. Sykes, "Estimation and measurement of flat or solenoidal coil inductance for radiofrequency NMR coil design," Journal of Magnetic Resonance 187 (2007) 27-37. http://dx.doi.org/10.1016/j.jmr.2007.03.016

K.J. Ooms and R.E. Wasylishen, "129Xe NMR Study Of Xenon in Iso-Reticular Metal-Organic Frameworks," Microporous and Mesoporous Materials 103 (2007) 341-351. http://dx.doi.org/10.1016/j.micromeso.2007.01.054

K.W. Feindel, S.H. Bergens, R.E. Wasylishen, "The influence of membrane electrode assembly water content on the performance of a polymer electrolyte membrane fuel cell as investigated by 1H NMR microscopy," Physical Chemistry Chemical Physics 9 (2007) 1850-1857. http://dx.doi.org/10.1039/b617551a

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

R.E. Wasylishen and G.M. Bernard, "Solid-state NMR Spectroscopy in Organometallic Chemistry", in Comprehensive Orgnanometallic Chemistry III., Crabtree, R. H.; Mingos, D. M. P.; Parkin, G., Eds. Elsevier: Oxford, 2007. Vol. 1, Chapter 17, pp 451-482.

K.J. Ooms, V.V. Terskikh and R.E. Wasylishen, "Ultrahigh-field solid-state 59Co NMR studies of Co(C2B9H11)2- and Co(C5H5)2+ salts," Journal of the American Chemical Society 129 (2007) 6704-6705. http://dx.doi.org/10.1021/ja0710095

K.W. Feindel, K.J. Ooms, and R.E. Wasylishen, "A solid-state 55Mn NMR spectroscopy and DFT investigation of manganese pentacarbonyl compounds," Physical Chemistry Chemical Physics 9 (2007) 1226-1238. (cover article) http://dx.doi.org/10.1039/b616821c

T.H. Sefzik, J.B. Houseknecht, T.M. Clark, S. Prasad, T.L. Lowary, Z. Gan, P.J. Grandinetti, "Solid-state 17O NMR in carbohydrates," Chemical Physics Letters 434 (2007) 312-315. http://dx.doi.org/10.1016/j.cplett.2006.12.008

R. Siegel, T.T. Nakashima, R.E. Wasylishen, "Sensitivity enhancement of NMR spectra of half-integer spin quadrupolar nuclei in solids using hyperbolic secant pulses," Journal of Magnetic Resonance 184 (2007) 85-100. http://dx.doi.org/10.1016/j.jmr.2006.09.007


K.J. Ooms, K.W. Feindel, V.V. Terskikh, R.E. Wasylishen, "Ultrahigh-Field NMR Spectroscopy of Quadrupolar Transition Metals: 55Mn NMR of Several Solid Manganese Carbonyls," Inorganic Chemistry 45 (2006) 8492 - 8499 (cover article). http://dx.doi.org/10.1021/ic0608445

M.A.M. Forgeron, R.E. Wasylishen, "A solid-state 95Mo NMR and computational investigation of dodecahedral and square antiprismatic octacyanomolybdate(IV) anions: Is the point-charge approximation an accurate probe of local symmetry?" Journal of the American Chemical Society 128 (2006) 7817-7827. http://dx.doi.org/10.1021/ja060124x

M.J. Willans, B.A. Demko, R.E. Wasylishen, "An NMR and relativistic DFT investigation of one-bond nuclear spin-spin coupling in solid triphenyl group-14 chlorides," Physical Chemistry Chemical Physics 8 (2006) 2733-2743. http://dx.doi.org/10.1039/b603937e

K.J. Ooms, R.E. Wasylishen, "NMR spectroscopy of the solid-state isomerization of nitrito- and nitro-pentamminecobalt(III) chloride," Canadian Journal of Chemistry 84 (2006) 300-308.

R. Siegel, T.T. Nakashima, R.E. Wasylishen, "Sensitivity enhancement of solid-state NMR spectra of half-integer spin quadrupolar nuclei using hyperbolic secant pulses: Applications to spin-5/2 nuclei," Chemical Physics Letters 421 (2006) 529-533.

D.N. Sears, R.E. Wasylishen, T. Ueda, "Grand Canonical Monte Carlo Simulations of the 129Xe NMR Line Shapes of Xenon Adsorbed in (±)-[Co(en)3]Cl3," Journal of Physical Chemistry B 110 (2006) 11120-11127. http://dx.doi.org/10.1021/jp061655a

K.J. Harris, G.M. Bernard, C. McDonald, R. McDonald, M.J. Ferguson, R.E. Wasylishen, "Acetylenic 13C chemical shift tensors for diphenylacetylene and (eta(2)-diphenylacetylene)Pt(PPh3)(2): A solid-state NMR and theoretical study," Inorganic Chemistry 45 (2006) 2461-2473. http://dx.doi.org/10.1021/ic051548f

S.P. Graether, J.S. DeVries, R. McDonald, M.L. Rakovszky, B.D. Sykes, "A 1H/19F minicoil NMR probe for solid-state NMR: Application to 5-fluoroindoles," Journal Of Magnetic Resonance 178 (2006) 65-71. http://dx.doi.org/10.1016/j.jmr.2005.08.010

B.A. Demko, K. Eichele, R.E. Wasylishen, "A combined experimental and quantum chemistry study of selenium chemical shift tensors," Journal of Physical Chemistry A 110 (2006) 13537-13550.