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2018

A.J. Simpson, M.J. Simpson, R. Soong "Environmental Nuclear Magnetic Resonance Spectroscopy: An Overview and a Primer," Anal. Chem. (2018) online. http://dx.doi.org/10.1021/acs.analchem.7b03241

2017

L. Ye, N. van Eps, X. Li, O.P. Ernst, R.S. Prosser "Utilizing tagged paramagnetic shift reagents to monitor protein dynamics by NMR," Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics (2017) online. http://dx.doi.org/10.1016/j.bbapap.2017.09.011

J.P. Brady, P.J. Farber, A. Sekhar, Y.-H. Lin, R. Huang, A. Bah, T.J. Nott, H.S. Chan, A.J. Baldwin, J.D. Forman-Kay, L.E. Kay "Structural and hydrodynamic properties of an intrinsically disordered region of a germ cell-specific protein on phase separation," Proc Natl Acad Sci USA 114 (2017) online. http://dx.doi.org/10.1073/pnas.1706197114

A.K. Schütz, E. Rennella, L.E. Kay "Exploiting conformational plasticity in the AAA+ protein VCP/p97 to modify function," Proc Natl Acad Sci USA 114 (2017) E6822–E6829. http://dx.doi.org/10.1073/pnas.1707974114

R.D.A. Alvares, A. Gautam, R.S. Prosser, F.C.J.M. van Veggel, P.M. Macdonald "Shell Versus Core Dy3+ Contributions to NMR Water Relaxation in Sodium Lanthanide Fluoride Core-Shell Nanoparticles – An Investigation Using O-17 and H-1 NMR," J. Phys. Chem. C (2017) online. http://dx.doi.org/10.1021/acs.jpcc.7b06954

T. Yuwen, R. Huang, L.E. Kay "Probing slow timescale dynamics in proteins using methyl 1H CEST," Journal of Biomolecular NMR (2017) online. http://dx.doi.org/10.1007/s10858-017-0121-x

Y.L. Mobarhan, J. Struppe, B. Fortier-McGill, A.J. Simpson "Effective combined water and sideband suppression for low-speed tissue and in vivo MAS NMR," Analytical and Bioanalytical Chemistry (2017) online. http://dx.doi.org/10.1007/s00216-017-0450-3

E.G. Nagato, M.J. Simpson "NMR-Based Metabolomics of Daphnia Magna: Insights into Aquatic Ecosystem Health," eMagRes 6 (2017) 315–324. http://dx.doi.org/10.1002/9780470034590.emrstm1534

R.D. Majumdar, M. Akhter, B. Fortier-McGill, R. Soong, Y. Liaghati-Mobarhan, A.J. Simpson, M. Spraul, S. Schmidt, H. Heumann "In Vivo Solution-State NMR-Based Environmental Metabolomics," eMagRes 6 (2017) 133–148. http://dx.doi.org/10.1002/9780470034590.emrstm1533

B.P. Kelleher, P.V. Flanagan, K.M. Hart, A.J. Simpson, S.F. Oppenheimer, B.T. Murphy, S.S. O’Reilly, S.F. Jordan, A. Grey, A. Ibrahim, C.C.R. Allen "Large perturbations in CO2 flux and subsequent chemosynthesis are induced in agricultural soil by the addition of elemental sulfur," Scientific Reports 7 (2017) 4732. http://dx.doi.org/10.1038/s41598-017-04934-9

S.E. Reichheld, L.D. Muiznieks, F.W. Keeley, S. Sharpe "Direct observation of structure and dynamics during phase separation of an elastomeric protein," Proc Natl Acad Sci USA 114 (2017) E4408–E4415. http://dx.doi.org/10.1073/pnas.1701877114

A. Malevanets, P.A. Chong, D.F. Hansen, P. Rizk, Y. Sun, H. Lin, R. Muhandiram, A. Chakrabartty, L.E. Kay, J.D. Forman-Kay, S.J. Wodak "Interplay of buried histidine protonation and protein stability in prion misfolding," Scientific Reports 7 (2017) 882. https://doi.org/10.1038/s41598-017-00954-7

R.D. Majumdar, L. Bliumkin, D. Lane, R. Soong, M. Simpson, A.J. Simpson "Analysis of DOM phototransformation using a looped NMR system integrated with a sunlight simulator," Water Research (2017) online. http://doi.org/10.1016/j.watres.2017.04.067

P. Valluruapalli, A. Sekhar, T. Yuwen, L.E. Kay "Probing conformational dynamics in biomolecules via chemical exchange saturation transfer: a primer," Journal of Biomolecular NMR (2017) online. http://dx.doi.org/10.1007/s10858-017-0099-4

I. Fugariu, W. Bermel, D.l. Lane, R. Soong, A.J. Simpson "In-Phase Ultra High-Resolution In Vivo NMR," Angewandte Chemie International Edition (2017) online. http://dx.doi.org/10.1002/anie.201701097

Z. Bozoky, S. Ahmadi, T. Milman, T.H. Kim, K. Du, M. Di Paola, S. Pasyk, R. Pekhletski, J.P. Keller, C.E. Beara, J.D. Forman-Kay "Synergy of cAMP and calcium signaling pathways in CFTR regulation," Proc. Natl. Acad. Sci. USA (2017) online. http://dx.doi.org/10.1073/pnas.1613546114

T.H. Kim, P. Mehrabi, Z. Ren, A. Sljoka, C. Ing, A. Bezginov, L. Ye, R. Pomès, R.S. Prosser, E.F. Pai "The role of dimer asymmetry and protomer dynamics in enzyme catalysis" Science 355 (2017) online. http://dx.doi.org/10.1126/science.aag2355

E. Rennella, A. Sekhar, L.E. Kay "Self-Assembly of Human Profilin-1 Detected by Carr–Purcell–Meiboom–Gill Nuclear Magnetic Resonance (CPMG NMR) Spectroscopy," Biochemistry (2017) online. http://dx.doi.org/10.1021/acs.biochem.6b01263

T. Yuwen, A. Sekhar, L.E. Kay "Separating Dipolar and Chemical Exchange Magnetization Transfer Processes in 1H-CEST," Angewandte Chemie International Edition (2017) online. http://dx.doi.org/10.1002/anie.201610759

R.D.V. Csizmok, S. Orlicky, J. Cheng, J. Song, A. Bah, N. Delgoshaie, H. Lin, T. Mittag, F. Sicheri, H.S. Chan, M. Tyers, J.D. Forman-Kay "An allosteric conduit facilitates dynamic multisite substrate recognition by the SCFCdc4 ubiquitin ligase," Nature Communications 8 (2017) 13943. http://dx.doi.org/10.1038/ncomms13943

2016

A.N. Borkar, P. Vallurupalli, C. Camilloni, L. Kay, M. Vendruscolo "Simultaneous NMR characterisation of multiple minima in the free energy landscape of an RNA UUCG tetraloop," Phys. Chem. Chem. Phys. (2016) online. http://dx.doi.org/10.1039/c6cp08313g

A. Sekhar, J.A.O. Rumfeldt, H.R. Broom, C.M. Doyle, R.E. Sobering, E.M. Meiering, L.E. Kay, "Probing the free energy landscapes of ALS disease mutants of SOD1 by NMR spectroscopy," Proc Natl Acad Sci USA 113 (2016) online. http://dx.doi.org/10.1073/pnas.1611418113

I. Swyer, R. Soong, M.D.M. Dryden, M. Fey, W.E. Maas, A. Simpson, A.R. Wheeler, "Interfacing digital microfluidics with high-field nuclear magnetic resonance spectroscopy," Lab Chip (2016) online. http://dx.doi.org/10.1039/C6LC01073C

T. Yuwen, A. Sekhar, L.E. Kay "Evaluating the influence of initial magnetization conditions on extracted exchange parameters in NMR relaxation experiments: applications to CPMG and CEST," Journal of Biomolecular NMR (2016) online. http://dx.doi.org/10.1007/s10858-016-0045-x

Z. Fang, C.B. Marshall, J.C. Yin, M.T. Mazhab-Jafari, G.M.C. Gasmi-Seabrook, M.J. Smith, T. Nishikawa, Y. Xu, B.G. Neel, M. Ikura, "Biochemical Classification of Disease-associated Mutants of RAS-like Protein Expressed in Many Tissues (RIT1)," Journal of Biological Chemistry (2016) online. http://dx.doi.org/10.1074/jbc.M116.714196

R. Huang, Z.A. Ripstein, R. Augustyniak, M. Lazniewski, K. Ginalski, L.E. Kay, J.L. Rubinstein, "Unfolding the mechanism of the AAA+ unfoldase VAT by a combined cryo-EM, solution NMR study," Proc Natl Acad Sci USA 113 (2016) online. http://dx.doi.org/10.1073/pnas.1603980113

V. Csizmok, A.V. Follis, R.W. Kriwacki, J.D. Forman-Kay "Dynamic Protein Interaction Networks and New Structural Paradigms in Signaling," Chemical Reviews 116 (2016) 6424-6462. (Review)
http://dx.doi.org/10.1021/acs.chemrev.5b00548

S.W.S. Chan, J. Yau, C. Ing, K. Liu, P. Farber, A. Won, V. Bhandari, N. Kara-Yacoubian, T.V. Seraphim, N. Chakrabarti, L.E. Kay, C.M. Yip, R. Pomès, S. Sharpe, W.A. Houry "Mechanism of Amyloidogenesis of a Bacterial AAA+ Chaperones," Structure (2016) online. http://dx.doi.org/10.1016/j.str.2016.05.002

R. Mylotte, A. Sutrisno, H. Farooq, H. Masoom, R. Soong, M.H.B Hayes, A.J. Simpson "Insights into the composition of recalcitrant organic matter from estuarine sediments using NMR spectroscopy," Organic Geochemistry (2016) online. http://dx.doi.org/10.1016/j.orggeochem.2016.05.011

A. Sekhar, R. Rosenzweig, G. Bouvignies, L.E. Kay, "Hsp70 biases the folding pathways of client proteins," Proc Natl Acad Sci USA 113 (2016) E2794–E2801. http://dx.doi.org/10.1073/pnas.1601846113

L. Bliumkin, R.D. Majumdar, R. Soong, A. Adamo,
J.P.D. Abbatt, R. Zhao, E.J. Reiner, A.J. Simpson,
"The development of an in-situ NMR photoreactor to study environmental photochemistry," Environ. Sci. Technol. (2016) online. http://dx.doi.org/10.1021/acs.est.6b00361

L. Ye, N.V. Eps, M. Zimmer, O.P. Ernst, R.S. Prosser, "Activation of the A2A adenosine G-protein-coupled receptor by conformational selection," Nature (2016) online. http://dx.doi.org/10.1038/nature17668

Y.L. Mobarhan, B. Fortier-Mcgill, R. Soong, W. Maas, M. Fey, M. Monette, H. Stronks, S. Schmidt, H. Heumann, W. Norwood, A. Simpson, "Comprehensive Multiphase NMR Applied to a Living Organism," Chem. Sci. (2016) online. (Edge Article)
http://dx.doi.org/10.1039/c6sc00329j

P. Vallurupalli, N. Chakrabarti, R. Pomes and L. Kay, "Atomistic Picture of Conformational Exchange in a T4 Lysozyme Cavity Mutant: An Experiment-Guided Molecular Dynamics Study," Chem. Sci. (2016) online. (Edge Article) http://dx.doi.org/10.1039/C5SC03886C

R.D.A. Alvares, A. Hasabnis, R.S. Prosser, and P.M. Macdonald, "Quantitative Detection of Pegylated Biomacromolecules in Biological Fluids by NMR," Anal. Chem. 88 (2016) 3730–3738. http://dx.doi.org/10.1021/acs.analchem.5b04565

A.D.C. Santos, L. Bliumkin, H. Masoom, R. Soong, A. Barison and A.J. Simpson, "Spectral background from commercially available D2O: an important consideration for trace analysis using cryoprobes," Magnetic Resonance in Chemistry 54 (2016) 377–381. http://dx.doi.org/10.1002/mrc.4410

L.E. Kay, "New Views of Functionally Dynamic Proteins by Solution NMR Spectroscopy," Journal of Molecular Biology 428 (2016) 323-331. (Review) http://dx.doi.org/10.1016/j.jmb.2015.11.028

C.M. Doyle, J.A.O. Rumfeldt, H.R. Broom, A. Sekhar, L.E. Kay, E.M. Meiering, "Concurrent Increases and Decreases in Local Stability and Conformational Heterogeneity in Cu, Zn Superoxide Dismutase Variants Revealed by Temperature-Dependence of Amide Chemical Shifts," Biochemistry 55 (2016) 1346–1361. http://dx.doi.org/10.1021/acs.biochem.5b01133

H. Masoom, D. Courtier-Murias, H. Farooq, R. Soong, B.P. Kelleher, C. Zhang, W.E. Maas, M. Fey, R. Kumar, M. Monette, H.J. Stronks, M.J. Simpson, and A.J. Simpson, "Soil organic matter in its native state: unravelling the most complex biomaterial on Earth," Environ. Sci. Technol. 50 (2016) 1670–1680. http://dx.doi.org/10.1021/acs.est.5b03410

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

L.M.A. Silva, E.G.A. Filho, A.J. Simpson, M.R. Monteiro, T. Venâncio, "Comprehensive multiphase NMR spectroscopy: A new analytical method to study the effect of biodiesel blends on the structure of commercial rubbers," Fuels 166 (2016) 436–445. http://dx.doi.org/10.1016/j.fuel.2015.10.105

R. Rosenzweig, L.E. Kay, "Solution NMR Spectroscopy Provides an Avenue for the Study of Functionally Dynamic Molecular Machines: The Example of Protein Disaggregation," Journal of the American Chemical Society 138 (2016) 1466–1477. (Perspective) http://dx.doi.org/10.1021/jacs.5b11346

2015

R. Rosenzweig, P. Farber, A. Velyvis, E. Rennella, M.P. Latham, and L.E. Kay, "ClpB N-terminal domain plays a regulatory role in protein disaggregation," Proc Natl Acad Sci USA 112 (2015) E6872–E6881. http://dx.doi.org/10.1073/pnas.1512783112

H. Masoom, D. Courtier-Murias, R. Soong, W.E. Maas, M. Fey, R. Kumar, M. Monette, H.J. Stronks, M.J. Simpson, and A.J. Simpson, "From Spill to Sequestration: The Molecular Journey of Contamination via Comprehensive Multiphase NMR," Environ. Sci. Technol. 49 (2015) 13983–13991. http://dx.doi.org/10.1021/acs.est.5b03251

E. Rennella, R. Huang, A. Velyvis, L.E. Kay, "13CHD2–CEST NMR spectroscopy provides an avenue for studies of conformational exchange in high molecular weight proteins," Journal of Biomolecular NMR 63 (2015) 187-199. http://dx.doi.org/10.1007/s10858-015-9974-z

E. Prack, C.A. O'Keefe, J. Moore, A. Lai, A.J. Lough, P.M. Macdonald, M.S. Conradi, R.W. Schurko, and U. Fekl, "A Molecular Rotor Possessing an H-M-H ‘Spoke’ on a P-M-P ‘Axle’: A Platinum(II) trans-Dihydride Spins Rapidly Even at 75 K," J. Am. Chem. Soc. 137 (2015) 13464–13467. http://dx.doi.org/10.1021/jacs.5b08213

A. Lai, Q. Saleem and P.M. Macdonald, "Centerband-only-detection-of-exchange 31P nuclear magnetic resonance and phospholipid lateral diffusion: theory, simulation and experiment," Phys. Chem. Chem. Phys. 17 (2015) 25160-25171. http://dx.doi.org/10.1039/c5cp03757c

A. Sekhar, R. Rosenzweig, G. Bouvignies, L.E. Kay, "Mapping the conformation of a client protein through the Hsp70 functional cycle," Proc. Natl. Acad. Sci. USA 112 (2015) 10395–10400. http://dx.doi.org/10.1073/pnas.1508504112

A.K. Pozhidaeva, K.N. Mohni, S. Dhe-Paganon, C.H. Arrowsmith, S.K. Weller, D.M. Korzhnev and I. Bezsonova, "Structural Characterization of Interaction between Human Ubiquitin Specific Protease 7 and Immediate Early Protein ICP0 of Herpes Simplex Virus-1," Journal of Biological Chemistry 290 (2015) 22907-22918. http://dx.doi.org/10.1074/jbc.M115.664805

E.D. de Araujo, C.P. Alvarez, J.P. López-Alonso, C.R. Sooklal, M. Stagljar, V. Kanelis, "Phosphorylation-dependent Changes in Nucleotide Binding, Conformation, and Dynamics of the First Nucleotide Binding Domain (NBD1) of the Sulfonylurea Receptor 2B (SUR2B)," Journal of Biological Chemistry 290 (2015) 22699-22714. http://dx.doi.org/10.1074/jbc.M114.636233

L.H. Perruchoud, M.D. Jones, A. Sutrisno, D.B. Zamble, A.J. Simpson, and X. Zhang, "A Ratiometric NMR pH Sensing Strategy Based on Slow-Proton-Exchange (SPE) Mechanism," Chemical Science 6 (2015) 6305-6311. (Edge Article) http://dx.doi.org/10.1039/c5sc02145f

D. Long, F. Delaglio, A. Sekhar, L.E. Kay, "Probing Invisible, Excited Protein States by Non-Uniformly Sampled Pseudo-4D CEST Spectroscopy," Angewandte Chemie International Edition 54 (2015) 10507–10511. http://dx.doi.org/10.1002/anie.201504070

P.A. Chong, P.J. Farber, R.M. Vernon, R.P. Hudson, A.K. Mittermaier and J.D. Forman-Kay, "Deletion of Phenylalanine-508 in the First Nucleotide Binding Domain of the Cystic Fibrosis Transmembrane Conductance Regulator Increases Conformational Exchange and Inhibits Dimerization," Journal of Biological Chemistry 290 (2015) 22862-22878. http://dx.doi.org/10.1074/jbc.M115.641134

A. Rosato, W. Vranken, R.H. Fogh, T.J. Ragan, R. Tejero, K. Pederson, H.-W. Lee, J.H. Prestegard, A. Yee, B. Wu, A. Lemak, S. Houliston, C.H. Arrowsmith, M. Kennedy, T.B. Acton, R. Xiao, G. Liu, G.T. Montelione, G.W. Vuister, "The second round of Critical Assessment of Automated Structure Determination of Proteins by NMR: CASD-NMR-2013," Journal of Biomolecular NMR 62 (2015) 413-424. http://dx.doi.org/10.1007/s10858-015-9953-4

A. Sekhar, J.A.O. Rumfeldt, H.R. Broom, C.M. Doyle, G. Bouvignies, E.M Meiering, L.E. Kay, "Thermal fluctuations of immature SOD1 lead to separate folding and misfolding pathways," eLife 4 (2015) e07296. http://dx.doi.org/10.7554/eLife.07296

G.W. Buchko, A .Yee, A. Semesi, P.J. Myler, C.H. Arrowsmith, R. Hui,"Solution-state NMR structure of the putative morphogene protein BolA (PFE0790c) from Plasmodium falciparum," Acta Crystallographica Section F: Structural Biology Communications 71 (2015) 514-521. http://dx.doi.org/10.1107/S2053230X1402799X

A. Ahlner, C. Andresen, S.N. Khan, L.E. Kay, P. Lundström, "Fractional enrichment of proteins using [2-13C]-glycerol as the carbon source facilitates measurement of excited state 13Cα chemical shifts with improved sensitivity," Journal of Biomolecular NMR 62 (2015) 341-351. http://dx.doi.org/10.1007/s10858-015-9948-1

C.B. Marshall, T. Nishikawa, M. Osawa, P.B. Stathopulos, M. Ikura, "Calmodulin and STIM proteins: Two major calcium sensors in the cytoplasm and endoplasmic reticulum," Biochemical and Biophysical Research Communications 460 (2015) 5-21. (Review) http://dx.doi.org/10.1016/j.bbrc.2015.01.106

A. Manglik, T.H. Kim, M. Masureel, C. Altenbach, Z. Yang, D. Hilger, M.T. Lerch, T.S. Kobilka, F.S. Thian, W.L. Hubbell, R.S. Prosser, B.K. Kobilka, "Structural Insights into the Dynamic Process of β2-Adrenergic Receptor Signaling," Cell 161 (2015) 1101–1111. http://dx.doi.org/10.1016/j.cell.2015.04.043

M.T. Mazhab-Jafari, C.B. Marshall, M.J. Smith, G.M.C. Gasmi-Seabrook, P.B. Stathopulos, F. Inagaki, L.E. Kay, B.G. Neel, and M. Ikura, "Oncogenic and RASopathy-associated K-RAS mutations relieve membrane-dependent occlusion of the effector-binding site," Proc. Natl. Acad. Sci. USA 112 (2015) 6625–6630. http://dx.doi.org/10.1073/pnas.1419895112

L.H. Perruchoud, A. Hadzovic and X. Zhang, "Ultrasensitive Anion Detection by NMR Spectroscopy: A Supramolecular Strategy Based on Modulation of Chemical Exchange Rate," Chemistry - A European Journal 21 (2015) 8711–8715. http://dx.doi.org/10.1002/chem.201500989

E.G. Nagato, B.P. Lankadurai, R. Soong, A.J. Simpson and M.J. Simpson, "Development of an NMR microprobe procedure for high-throughput environmental metabolomics of Daphnia magna," Magnetic Resonance in Chemistry 53 (2015) 745–753. (special issue) http://dx.doi.org/10.1002/mrc.4236

H.L. Wheeler, R. Soong, D. Courtier-Murias, A. Botana, B. Fortier-Mcgill, W.E. Maas, M. Fey, H. Hutchins, S. Krishnamurthy, R. Kumar, M. Monette, H.J. Stronks, M.M. Campbell and A. Simpson, "Comprehensive multiphase NMR: a promising technology to study plants in their native state," Magnetic Resonance in Chemistry 53 (2015) 735–744. (special issue) http://dx.doi.org/10.1002/mrc.4230

L. Ye, S.T. Larda, Y.F.F. Li, A. Manglik, R.S. Prosser, "A comparison of chemical shift sensitivity of trifluoromethyl tags: optimizing resolution in 19F NMR studies of proteins," Journal of Biomolecular NMR 62 (2015) 97-103. http://dx.doi.org/10.1007/s10858-015-9922-y

M. Tardat, M. Albert, R. Kunzmann, Z. Liu, L. Kaustov, R. Thierry, S. Duan, U. Brykczynska, C.H. Arrowsmith, A.H.F.M. Peters, "Cbx2 Targets PRC1 to Constitutive Heterochromatin in Mouse Zygotes in a Parent-of-Origin-Dependent Manner," Molecular Cell 58 (2015) 157–171. http://dx.doi.org/10.1016/j.molcel.2015.02.013

I. Fugariu, B. Fortier-McGill, R. Soong, A. Sutrisno and A.J. Simpson, "Doubling sensitivity in solids NMR: a simple and economical procedure for compressing samples," Magnetic Resonance in Chemistry 53 (2015) 769–773. (special issue) http://dx.doi.org/10.1002/mrc.4184

A.J. Simpson, Y. Liaghati, B. Fortier-McGill, R. Soong and M. Akhter, "Perspective: in vivo NMR – a potentially powerful tool for environmental research," Magnetic Resonance in Chemistry 53 (2015) 686–690. (special issue) http://dx.doi.org/10.1002/mrc.4142

E.G.A. Filho, L. Sartori, L.M.A. Silva, B.F. Silva, P.S. Fadini, R. Soong, A. Simpson and A.G. Ferreira, "Non-targeted analyses of organic compounds in urban wastewater," Magnetic Resonance in Chemistry 53 (2015) 704–710. (special issue) http://dx.doi.org/10.1002/mrc.4169

R. Soong, E. Nagato, A. Sutrisno, B. Fortier-McGill, M. Akhter, S. Schmidt, H. Heumann and A.J. Simpson, "In vivo NMR spectroscopy: toward real time monitoring of environmental stress," Magnetic Resonance in Chemistry 53 (2015) 774–779. (special issue) http://dx.doi.org/10.1002/mrc.4154

M.-D. Seo, M. Enomoto, N. Ishiyama, P.B. Stathopulos, M. Ikura, "Structural insights into endoplasmic reticulum stored calcium regulation by inositol 1,4,5-trisphosphate and ryanodine receptors," Biochimica et Biophysica Acta (BBA) - Molecular Cell Research 1853 (2015) 1980–1991. (Review) http://dx.doi.org/10.1016/j.bbamcr.2014.11.023

A.J. Simpson, P.J. Mitchell, H. Masoom, Y.L. Mobarhan, A. Adamo, and A.P. Dicks, "An Oil Spill in a Tube: An Accessible Approach for Teaching Environmental NMR Spectroscopy," J. Chem. Educ. 92 (2015) 693–697. http://dx.doi.org/10.1021/ed500364b

A.P. Chen, J.Y.C. Lau, R.D.A. Alvares and C.H. Cunningham, "Using [1-13C]lactic acid for hyperpolarized 13C MR cardiac studies," Magnetic Resonance in Medicine 73 (2015) 2087–2093. http://dx.doi.org/10.1002/mrm.25354

J.H. Hong, L. Kaustov, E. Coyaud, T. Srikumar, J. Wan, C. Arrowsmith and B. Raught, "KCMF1 (potassium channel modulatory factor 1) Links RAD6 to UBR4 (ubiquitin N-recognin domain-containing E3 ligase 4) and Lysosome-Mediated Degradation," Mol Cell Proteomics 14 (2015) 674-685. http://dx.doi.org/10.1074/mcp.M114.042168

T.J. Nott, E. Petsalaki, P. Farber, D. Jervis, E. Fussner, A. Plochowietz, T.D. Craggs, D.P. Bazett-Jones, T. Pawson, J.D. Forman-Kay, A.J. Baldwin, "Phase Transition of a Disordered Nuage Protein Generates Environmentally Responsive Membraneless Organelles," Molecular Cell 57 (2015) 936-947. http://dx.doi.org/10.1016/j.molcel.2015.01.013

S.J. Goldberg, G.I. Ball, B.C. Allen, S.G. Schladow, A.J. Simpson, H. Masoom, R. Soong, H.D. Graven & L.I. Aluwihare, "Refractory dissolved organic nitrogen accumulation in high-elevation lakes," Nature Communications 6 (2015) 6347. http://dx.doi.org/10.1038/ncomms7347

M.J. Smith, C.B. Marshall, F.-X. Theillet, A. Binolfi, P. Selenko, M. Ikura, "Real-time NMR monitoring of biological activities in complex physiological environments," Current Opinion in Structural Biology 32 (2015) 39-47. (review) http://dx.doi.org/10.1016/j.sbi.2015.02.003

M.H.M. Marshall, J.R. McKelvie, A.J. Simpson, M.J. Simpson, "Characterization of natural organic matter in bentonite clays for potential use in deep geological repositories for used nuclear fuel," Applied Geochemistry 54 (2015) 43-53. http://dx.doi.org/10.1016/j.apgeochem.2014.12.013

A. Bah, R.M. Vernon, Z. Siddiqui, M. Krzeminski, R. Muhandiram, C. Zhao, N. Sonenberg, L.E. Kay & J.D. Forman-Kay, "Folding of an intrinsically disordered protein by phosphorylation as a regulatory switch," Nature 519 (2015) 106-109. http://dx.doi.org/10.1038/nature13999

D.M. Grewer, M.J. Lafrenière, S.F. Lamoureux, M.J. Simpson, "Potential shifts in Canadian High Arctic sedimentary organic matter composition with permafrost active layer detachments," Organic Geochemistry 79 (2015) 1-13. http://dx.doi.org/10.1016/j.orggeochem.2014.11.007

P.J. Mitchell, A.J. Simpson, R. Soong, M.J. Simpson, "Shifts in microbial community and water-extractable organic matter composition with biochar amendment in a temperate forest soil," Soil Biology and Biochemistry 81 (2015) 244-254. http://dx.doi.org/10.1016/j.soilbio.2014.11.017

2014

H. Morales, Q. Saleem, and P.M. Macdonald, "Thermal Stabilization of Bicelles by a Bile Salt Derived Detergent: A Combined 31P and 2H Nuclear Magnetic Resonance Study," Langmuir 30 (2014) 15219–15228. http://dx.doi.org/10.1021/la503326r

D. Meiri, C.B. Marshall, D. Mokady, J. LaRose, M. Mullin, A.-C. Gingras, M. Ikura and R. Rottapel, "Mechanistic insight into GPCR-mediated activation of the microtubule-associated RhoA exchange factor GEF-H1," Nature Communications 5 (2014) 4857. http://dx.doi.org/10.1038/ncomms5857

D. Long, A. Sekhar, L.E. Kay, "Triple resonance-based 13Cα and 13Cβ CEST experiments for studies of ms timescale dynamics in proteins," Journal of Biomolecular NMR 60 (2014) 203-208. http://dx.doi.org/10.1007/s10858-014-9868-5

A. Lemak, B. Wu, A. Yee, S. Houliston, H.-W. Lee, A. Gutmanas, X. Fang, M. Garcia, A. Semesi, Y.-X. Wang, J.H. Prestegard, C.H. Arrowsmith, "Structural Characterization of a Flexible Two-Domain Protein in Solution Using Small Angle X-Ray Scattering and NMR Data," Structure 22 (2014) 1862–1874. http://dx.doi.org/10.1016/j.str.2014.09.013

A.A. Yee, A. Semesi, M. Garcia, C.H. Arrowsmith, "Screening Proteins for NMR Suitability," in "Structural Genomics and Drug Discovery" Series: Methods in Molecular Biology 1140 (2014) 169-178. http://dx.doi.org/10.1007/978-1-4939-0354-2_13

S.C. Genest, M.J. Simpson, A.J. Simpson, R. Soong and D.J. McNally, "Analysis of soil organic matter at the solid–water interface by nuclear magnetic resonance spectroscopy," Environmental Chemistry 11 (2014) 472-482. http://dx.doi.org/10.1071/EN14060

J. Hoang and R.S. Prosser, "Conformational Selection and Functional Dynamics of Calmodulin: A 19F NMR Study" Biochemistry 53 (2014) 5727–5736. http://dx.doi.org/10.1021/bi500679c

E.D. de Araujo, V. Kanelis, "Successful development and use of a thermodynamic stability screen for optimizing the yield of nucleotide binding domains," Protein Expression and Purification 103 (2014) 38–47. http://dx.doi.org/10.1016/j.pep.2014.08.006

M.P. Latham, L.E. Kay, "A similar in vitro and in cell-lysate folding intermediate for the FF domain" Journal of Molecular Biology 426 (2014) 3214–3220. http://dx.doi.org/10.1016/j.jmb.2014.07.019

O. Pisani, K.M. Hills, D. Courtier-Murias, M.L. Haddix, E.A. Paul, R.T. Conant, A.J. Simpson, G.B. Arhonditsis, M.J. Simpson, "Accumulation of aliphatic compounds in soil with increasing mean annual temperature," Organic Geochemistry 76 (2014) 118–127. http://dx.doi.org/10.1016/j.orggeochem.2014.07.009

J.K. Whalen, S. Gul, V. Poirier, S.F. Yanni, M.J. Simpson, J.S. Clemente, X. Feng, S.J. Grayston, J. Barker, E.G. Gregorich, D.A. Angers, P. Rochette, H.H. Janzen, "Transforming plant carbon into soil carbon: Process-level controls on carbon sequestration," Canadian Journal of Plant Science 94 (2014) 1065-1073. http://dx.doi.org/10.4141/cjps2013-145

A. Eletsky, K. Michalska, S. Houliston, Q. Zhang, M.D. Daily, X. Xu, H. Cui, A. Yee, A. Lemak, B. Wu, M. Garcia, M.C. Burnet, K.M. Meyer, U.K. Aryal, O. Sanchez, C. Ansong, R. Xiao, T.B. Acton, J.N. Adkins, G.T. Montelione, A. Joachimiak, C.H. Arrowsmith, A. Savchenko, T. Szyperski, J.R. Cort, "Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO," PLoS ONE 9 (2014) e101787. http://dx.doi.org/10.1371/journal.pone.0101787

R. Rosenzweig and L.E. Kay, "Bringing Dynamic Molecular Machines into Focus by Methyl-TROSY NMR," Annual Review of Biochemistry 83 (2014) 291-315. (review) http://dx.doi.org/10.1146/annurev-biochem-060713-035829

D. Long, G. Bouvignies, L.E. Kay, "Measuring hydrogen exchange rates in invisible protein excited states," Proc. Natl. Acad. Sci. USA 111 (2014) 8820–8825. http://dx.doi.org/10.1073/pnas.1405011111

K.A. Gelato, M. Tauber, M.S. Ong, S. Winter, K. Hiragami-Hamada, J. Sindlinger, A. Lemak, Y. Bultsma, S. Houliston, D. Schwarzer, N. Divecha, C.H. Arrowsmith, W. Fischle, "Accessibility of Different Histone H3-Binding Domains of UHRF1 Is Allosterically Regulated by Phosphatidylinositol 5-Phosphate," Molecular Cell 54 (2014) 905–919. http://dx.doi.org/10.1016/j.molcel.2014.04.004

R. Alvares, S. Gupta, P.M. Macdonald, and R.S. Prosser, "Temperature and Pressure Based NMR Studies of Detergent Micelle Phase Equilibria," Journal of Physical Chemistry B 118 (2014) 5698–5706. http://dx.doi.org/10.1021/jp500139p

M.T. Mazhab-Jafari, C.B. Marshall, J. Ho, N. Ishiyama, V. Stambolic and M. Ikura, "Structure-guided mutation of the conserved G3-box glycine in Rheb generates a constitutively activated regulator of mTOR," Journal of Biological Chemistry 289 (2014) 12195-12201. http://dx.doi.org/10.1074/jbc.C113.543736

J. Cullis, D. Meiri, M.J. Sandi, N. Radulovich, O.A. Kent, M. Medrano, D. Mokady, J. Normand, J. Larose, R. Marcotte, C.B. Marshall, M. Ikura, T Ketela, J. Moffat, B.G. Neel, A.-C. Gingras, M.-S. Tsao, and R. Rottapel, "The RhoGEF GEF-H1 is required for oncogenic RAS signaling via KSR-1," Cancer Cell 25 (2014) 181-195. http://dx.doi.org/10.1016/j.ccr.2014.01.025

S.L. Organ, J. Hai, N. Radulovich, C.B. Marshall, L. Leung, T. Sasazuki, S. Shirasawa, C.-Q. Zhu, R. Navab, M. Ikura, M.-S. Tsao, "p120RasGAP Is a Mediator of Rho Pathway Activation and Tumorigenicity in the DLD1 Colorectal Cancer Cell Line," PLoS ONE 9 (2014) e86103. http://dx.doi.org/10.1371/journal.pone.0086103

M.P. Latham, A. Sekhar, L.E. Kay, "Understanding the mechanism of proteasome 20S core particle gating," Proc. Natl. Acad. Sci. USA 111 (2014) 5532-5537. http://dx.doi.org/10.1073/pnas.1322079111

P. Walsh, G. Vanderlee, J. Yau, J. Campeau, V.L. Sim, C.M. Yip, S. Sharpe, "The mechanism of membrane disruption by cytotoxic amyloid oligomers formed by prion protein(106-126) is dependent on bilayer composition," Journal of Biological Chemistry 289 (2014) 10419-10430. http://dx.doi.org/10.1074/jbc.M113.515866

S.E. Reichheld, L.D. Muiznieks, R. Stahl, K. Simonetti, S. Sharpe, F.W. Keeley, "Conformational transitions of the cross-linking domains of elastin during self-assembly," Journal of Biological Chemistry 289 (2014) 10057-10068. http://dx.doi.org/10.1074/jbc.M113.533893

C. Sanchez-Medina, A. Sekhar, P. Vallurupalli, M. Cerminara, V. Munoz, and L.E. Kay, "Probing the free energy landscape of the fast folding gpW protein by relaxation dispersion NMR," J. Am. Chem. Soc. 136 (2014) 7444–7451. http://dx.doi.org/10.1021/ja502705y

D. Courtier-Murias, H. Farooq, J.G. Longstaffe, B.P. Kelleher, K.M. Hart, M.J. Simpson, A.J. Simpson, "Cross polarization-single pulse/magic angle spinning (CPSP/MAS): A robust technique for routine soil analysis by solid-state NMR," Geoderma 226-227 (2014) 405–414. http://dx.doi.org/10.1016/j.geoderma.2014.03.006

T.E. Burrow, D.C. Burns, K. Krishnamurthy, W.F. Reynolds, "CRAPT: an improved version of APT with compensation for variations in JCH," Magnetic Resonance in Chemistry 52 (2014) 195–201. http://dx.doi.org/10.1002/mrc.4050

A. Sekhar, M.P. Latham, P. Vallurupalli, and L.E. Kay, "Viscosity-Dependent Kinetics of Protein Conformational Exchange: Microviscosity Effects and the Need for a Small Viscogen," Journal of Physical Chemistry B 118 (2014) online. http://dx.doi.org/10.1021/jp501583t

S. Helander, M. Montecchio, A. Lemak, C. Farès, J. Almlöf, Y. Li, A. Yee, C.H. Arrowsmith, S. Dhe-Paganon, M. Sunnerhagen, "Basic Tilted Helix Bundle - A new protein fold in human FKBP25/FKBP3 and HectD1," Biochemical and Biophysical Research Communications 447 (2014) 26–31. http://dx.doi.org/10.1016/j.bbrc.2014.03.068

B.A. Cottrell, M. Gonsior, S.A. Timko, A.J. Simpson, W.J. Cooper, "Photochemistry of marine and fresh waters: A role for copper-dissolved organic matter ligands," Marine Chemistry 162 (2014) 77–88. http://dx.doi.org/10.1016/j.marchem.2014.03.005

L. Shia and L.E. Kay, "Tracing an allosteric pathway regulating the activity of the HslV protease," Proc. Natl. Acad. Sci. USA 111 (2014) 2140–2145. http://dx.doi.org/10.1073/pnas.1318476111

X. Wang, P. Vallurupalli, A. Vu, K. Lee, S. Sun, W.-J. Bai, C. Wu, H. Zhou, J.-E. Shea, L.E. Kay, and F.W. Dahlquist, "The Linker between the Dimerization and Catalytic Domains of the CheA Histidine Kinase Propagates Changes in Structure and Dynamics Important for the Enzymatic Activity," Biochemistry 53 (2014) 855–861. http://dx.doi.org/10.1021/bi4012379

M.J. Smith, M. Ikura, "Integrated RAS signaling defined by parallel NMR detection of effectors and regulators," Nature Chemical Biology 10 (2014) 223–230. http://dx.doi.org/10.1038/nchembio.1435

L. Lam, R. Soong, A. Sutrisno, R.D. Visser, M.J. Simpson, H. Wheeler, M. Campbell, W.E. Maas, M. Fey, A. Gorissen, H. Hutchins, B. Andrew, J.O. Struppe, S. Krishnamurthy, R. Kumar, M. Monette, H. Stronks, A. Hume, and A.J. Simpson, "Comprehensive Multiphase NMR Spectroscopy of Intact 13C Labeled Seeds," J. Agric. Food Chem. 62 (2014) 107–115. http://dx.doi.org/10.1021/jf4045638

J.M. Grondin, S. Chitayat, E. Ficko-Blean, S. Houliston, C.H. Arrowsmith, A.B. Boraston, S.P. Smith, "An Unusual Mode of Galactose Recognition by a Family 32 Carbohydrate-Binding Module," Journal of Molecular Biology 426 (2014) 869–880. http://dx.doi.org/10.1016/j.jmb.2013.11.029

O.A. Fedorenko, E. Popugaeva, M. Enomoto, P.B. Stathopulos, M. Ikura, I. Bezprozvanny, "Intracellular calcium channels: Inositol-1,4,5- trisphosphate receptors," European Journal of Pharmacology 739 (2014) 39–48. http://dx.doi.org/10.1016/j.ejphar.2013.10.074

G. Bouvignies, P. Vallurupalli, L.E. Kay, "Visualizing Side-chains of Invisible Protein Conformers by Solution NMR," Journal of Molecular Biology 426 (2014) 763–774. http://dx.doi.org/10.1016/j.jmb.2013.10.041

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

2013

H. Farooq, D. Courtier-Murias, R. Soong, W. Bermel, W.M. Kingery and A.J. Simpson, "HR-MAS NMR Spectroscopy: A Practical Guide for Natural Samples," Current Organic Chemistry 17 (2013) 3013-3031. (Review) http://dx.doi.org/10.2174/13852728113179990126

P.B. Stathopulos, R. Schindl, M. Fahrner, L. Zheng, G.M. Gasmi-Seabrook, M. Muik, C. Romanin & M. Ikura, "STIM1/Orai1 coiled-coil interplay in the regulation of store-operated calcium entry," Nature Communications 4 (2013) 2963. http://dx.doi.org/10.1038/ncomms3963

A. Sutrisno, A.J. Simpson, "Metals in the Environment," eMagRes 2 (2013) 467–476. http://dx.doi.org/10.1002/9780470034590.emrstm1347

P.J. Mitchell, A.J. Simpson, M.J. Simpson, "Dissolved Organic Matter," eMagRes 2 (2013) 503–516. http://dx.doi.org/10.1002/9780470034590.emrstm1348

M.J. Simpson, D.W. Bearden, "Environmental Metabolomics: NMR Techniques," eMagRes 2 (2013) 549–560. http://dx.doi.org/10.1002/9780470034590.emrstm1352

Z. Bozokya, M. Krzeminskia, R. Muhandiram, J.R. Birtley, A. Al-Zahrani, P.J. Thomas, R.A. Frizzell, R.C. Ford, and J.D. Forman-Kay, "Regulatory R region of the CFTR chloride channel is a dynamic integrator of phospho-dependent intra- and intermolecular interactions," Proc. Natl. Acad. Sci. USA 110 (2013) E4427-E4436. http://dx.doi.org/10.1073/pnas.1315104110

S. Lukhele, A. Bah, H. Lin, N. Sonenberg, J.D. Forman-Kay, "Interaction of the Eukaryotic Initiation Factor 4E with 4E-BP2 at a Dynamic Bipartite Interface," Structure 21 (2013) 2186–2196. http://dx.doi.org/10.1016/j.str.2013.08.030

A. Lemak, A. Yee, H. Wu, D. Yap, H. Zeng, L. Dombrovski, S. Houliston, S. Aparicio, C.H. Arrowsmith, "Solution NMR Structure and Histone Binding of the PHD Domain of Human MLL5," PLoS ONE 8 (2013) e77020. http://dx.doi.org/10.1371/journal.pone.0077020

M. Li, H.H. Morales, J. Katsaras, N. Kucerka, Y. Yang, P.M. Macdonald, and M.-P. Nieh, "Morphological Characterization of DMPC/CHAPSO Bicellar Mixtures: A Combined SANS and NMR Study," Langmuir 29 (2013) 15943–15957. http://dx.doi.org/10.1021/la402799b

J.E. Dawson, P.J. Farber, J.D. Forman-Kay, "Allosteric Coupling between the Intracellular Coupling Helix 4 and Regulatory Sites of the First Nucleotide-binding Domain of CFTR," PLoS ONE 8 (2013) e74347. http://dx.doi.org/10.1371/journal.pone.0074347

C.L. Pocanschi, S. Ehsani, M. Mehrabian, H. Wille, W. Reginold, W.S. Trimble, H. Wang, A. Yee, C.H. Arrowsmith, Z. Bozóky, L.E. Kay, J.D. Forman-Kay, J.M. Rini, G. Schmitt-Ulms, "The ZIP5 Ectodomain Co-Localizes with PrP and May Acquire a PrP-Like Fold That Assembles into a Dimer," PLoS ONE 8 (2013) e72446. http://dx.doi.org/10.1371/journal.pone.0072446

J.D. Forman-Kay, T. Mittag, "From Sequence and Forces to Structure, Function, and Evolution of Intrinsically Disordered Proteins," Structure 21 (2013) 1492-1499. (Perspective) http://dx.doi.org/10.1016/j.str.2013.08.001

F.J. Amador, L. Kimlicka, P.B. Stathopulos, G.M.C. Gasmi-Seabrook, D.H. MacLennan, F. Van Petegem, M. Ikura, "Type 2 Ryanodine Receptor Domain A Contains a Unique and Dynamic α-helix that Transitions to a β-strand in a Mutant Linked with a Heritable Cardiomyopathy," Journal of Molecular Biology 425 (2013) 4034–4046. http://dx.doi.org/10.1016/j.jmb.2013.08.015

D. Long, C.B. Marshall, G. Bouvignies, M.T. Mazhab-Jafari, M.J. Smith, M. Ikura, L.E. Kay, "A Comparative CEST NMR Study of Slow Conformational Dynamics of Small GTPases Complexed with GTP and GTP Analogues," Angew. Chem. Int. Ed. 52 (2013) 10771–10774. http://dx.doi.org/10.1002/anie.201305434

B.G. Pautler, P.T. Sanborn, A.J. Simpson, M.J. Simpson, "Molecular characterization of organic matter in Canadian Arctic paleosols for paleoecological applications," Organic Geochemistry 63 (2013) 122–138. http://dx.doi.org/10.1016/j.orggeochem.2013.08.009

F.J. Amador, P.B. Stathopulos, M. Enomoto, M. Ikura, "Ryanodine Receptor Calcium Release Channels: Lessons from structure-function studies," FEBS Journal 280 (2013) 5456–5470. (review article) http://dx.doi.org/10.1111/febs.12194

P.J. Mitchell, A.J. Simpson, R. Soong, A. Oren, B. Chefetz and M.J. Simpson, "Solution-state NMR investigation of the sorptive fractionation of dissolved organic matter by alkaline mineral soils," Environmental Chemistry (Australia) 10 (2013) 333-340. http://dx.doi.org/10.1071/EN13052

M. Whitfield Åslund, G.L. Stephenson, A.J. Simpson, M.J. Simpson, "Comparison of earthworm responses to petroleum hydrocarbon exposure in aged field contaminated soil using traditional ecotoxicity endpoints and 1H NMR-based metabolomics," Environmental Pollution 182 (2013) 263-268. http://dx.doi.org/10.1016/j.envpol.2013.07.026

J.L Kitevski-LeBlanc, J. Hoang, W. Thach, S.T. Larda, and R.S. Prosser, "19F NMR Studies of a Desolvated Near-Native Protein Folding Intermediate," Biochemistry 52 (2013) 5780-5789. http://dx.doi.org/10.1021/bi4010057

A. Mainz, T.L. Religa, R. Sprangers, R. Linser, L.E. Kay, and B. Reif, "NMR Spectroscopy of Soluble Protein Complexes at One Mega-Dalton and Beyond," Angew. Chem. Int. Ed. 52 (2013) 8746–8751. http://dx.doi.org/10.1002/anie.201301215

A. Sekhar and L.E. Kay, "NMR paves the way for atomic level descriptions of sparsely populated, transiently formed biomolecular conformers," Proc. Natl. Acad. Sci. USA 110 (2013) 12867–12874. (Perspective) http://dx.doi.org/10.1073/pnas.1305688110

O. Pisani, K.M. Hills, D. Courtier-Murias, A.J. Simpson, N.J. Mellor, E.A. Paul, S.J. Morris, M.J. Simpson, "Molecular level analysis of long term vegetative shifts and relationships to soil organic matter composition," Organic Geochemistry 62 (2013) 7–16. http://dx.doi.org/10.1016/j.orggeochem.2013.06.010

B.P. Lankadurai, E.G. Nagato, and M.J. Simpson, "Environmental Metabolomics: An Emerging Approach to Study Organism Responses to Environmental Stressors," Environmental Reviews 21 (2013) 180-205. (Review) http://dx.doi.org/10.1139/er-2013-0011

Z. Bozoky, M. Krzeminski, P.A. Chong and J.D. Forman-Kay, "Structural changes of CFTR R region upon phosphorylation: a plastic platform for intra- and inter-molecular interactions," FEBS Journal 280 (2013) 4407-4416. (Review) http://dx.doi.org/10.1111/febs.12422

S.T. Larda, K. Simonetti, M.S. Al-Abdul-Wahid, S. Sharpe, and R.S. Prosser, "Dynamic equilibria between monomeric and oligomeric misfolded states of the mammalian prion protein measured by 19F NMR," J . Am. Chem. Soc. 135 (2013) 10533–10541. http://dx.doi.org/10.1021/ja404584s

P. Vallurupalli, G. Bouvignies, L.E. Kay, "A Computational Study of the Effects of 13C–13C Scalar Couplings on 13C CEST NMR Spectra: Towards Studies on a Uniformly 13C-Labeled Protein," ChemBioChem 14 (2013) 1709–1713. http://dx.doi.org/10.1002/cbic.201300230

C. Li, M. Enomoto, A.M. Rossi, M.-D. Seo, T. Rahman, P.B. Stathopulos, C.W. Taylor, M. Ikura, and J.B. Ames, "CaBP1, a neuronal Ca2+ sensor protein, inhibits inositol trisphosphate receptors by clamping intersubunit interactions," Proc. Natl. Acad. Sci. USA 110 (2013) 8507–8512. http://dx.doi.org/10.1073/pnas.1220847110

E.G. Nagato, J.C. D’eon, B.P. Lankadurai, D.G. Poirier, E.J. Reiner, A.J. Simpson, M.J. Simpson, "1H NMR-based metabolomics investigation of Daphnia magna responses to sub-lethal exposure to arsenic, copper and lithium," Chemosphere 93 (2013) 331–337. http://dx.doi.org/10.1016/j.chemosphere.2013.04.085

T.H. Kim, K.Y. Chung, A. Manglik, A.L. Hansen, R.O. Dror, T.J. Mildorf, D.E. Shaw, B.K. Kobilka, and R.S. Prosser, "The Role of Ligands on the Equilibria Between Functional States of a G Protein-Coupled Receptor," J . Am. Chem. Soc. 135 (2013) 9465–9474. http://dx.doi.org/10.1021/ja404305k

A. Kumar, D.C. Burns, M.S. Al-Abdul-Wahid, and G.A. Woolley, "A Circularly Permuted Photoactive Yellow Protein as a Scaffold for Photoswitch Design," Biochemistry 52 (2013) 3320–3331. http://dx.doi.org/10.1021/bi400018h

B.A. Cottrell, M.Gonsior, L.M. Isabelle, W. Luo, V. Perraud, T.M. McIntire, J.F. Pankow, P. Schmitt-Kopplin, W.J. Cooper, A.J. Simpson, "A Regional Study of the Seasonal Variation in the Molecular Composition of Rainwater," Atmospheric Environment 77 (2013) 588–597. http://dx.doi.org/10.1016/j.atmosenv.2013.05.027

J. Ward, S. Al-Alul, M.W. Forbes, T.E. Burrow, and D.A. Foucher, "Synthesis and Spectral Electrochemical Properties of a Symmetrical Tin-Bridged [3.3]Ferrocenophane," Organometallics 32 (2013) 2893−2901. http://dx.doi.org/10.1021/om301065q

A. Velyvis and L.E. Kay, "Measurement of Active Site Ionization Equilibria in the 670 kDa Proteasome Core Particle Using Methyl-TROSY NMR," J. Am. Chem. Soc. 135 (2013) 9259–9262. (cover article) http://dx.doi.org/10.1021/ja403091c

K.M. Hart, A.L. Kulakova, C. Allen, A.J. Simpson, S.F. Oppenheimer, H. Masoom, D. Courtier-Murias, R. Soong, L.A. Kulakov, B.T. Murphy, and B.P. Kelleher, "Tracking the fate of microbially sequestered carbon dioxide in soil organic matter," Environ. Sci. Technol. 47 (2013) 5128–5137. http://dx.doi.org/10.1021/es3050696

D. Courtier-Murias, A.J. Simpson, C. Marzadori, G. Baldoni, C. Ciavatta, J.M. Fernández, E.G. López-de-Sá, C.Plaza, "Unraveling the long-term stabilization mechanisms of organic materials in soils by physical fractionation and NMR spectroscopy," Agriculture, Ecosystems & Environment 171 (2013) 9-18. http://dx.doi.org/10.1016/j.agee.2013.03.010

M.J. Smith, B.G. Neel, and M. Ikura, "NMR-based functional profiling of RASopathies and oncogenic RAS mutations," Proc. Natl. Acad. Sci. USA 110 (2013) 4574-4579. http://dx.doi.org/10.1073/pnas.1218173110

R. Rosenzweig, S. Moradi, A. Zarrine-Afsar, J.R. Glover, L.E. Kay, "Unraveling the Mechanism of Protein Disaggregation Through a ClpB-DnaK Interaction," Science 339 (2013) 1080-1083. http://dx.doi.org/10.1126/science.1233066

V. Tugarinov and L.E. Kay, "Estimating Side-Chain Order in [U-2H; 13CH3]-Labeled High Molecular Weight Proteins from Analysis of HMQC/HSQC Spectra," J. Phys. Chem. B 117 (2013) 3571–3577. http://dx.doi.org/10.1021/jp401088c

G.M. Findlay, M.J. Smith, F. Lanner, M.S. Hsiung, G.D. Gish, E. Petsalaki, K. Cockburn, T. Kaneko, H. Huang, R.D. Bagshaw, T. Ketela, M. Tucholska, L. Taylor, D.D. Bowtell, J. Moffat, M. Ikura, S.S.C. Li, S.S. Sidhu, J. Rossant, T. Pawson, "Interaction Domains of Sos1/Grb2 Are Finely Tuned for Cooperative Control of Embryonic Stem Cell Fate," Cell 152 (2013) 1008–1020. http://dx.doi.org/10.1016/j.cell.2013.01.056

P. Vallurupalli, L.E. Kay, "Probing Slow Chemical Exchange at Carbonyl Sites in Proteins by Chemical Exchange Saturation Transfer NMR Spectroscopy," Angewandte Chemie International Edition 52 (2013) 4156–4159. http://dx.doi.org/10.1002/anie.201209118

A.L. Hansen, G. Bouvignies, L.E. Kay, "Probing slowly exchanging protein systems via 13Cα-CEST: monitoring folding of the Im7 protein," Journal of Biomolecular NMR 55 (2013) 279-289. http://dx.doi.org/10.1007/s10858-013-9711-4

M.T. Mazhab-Jafari, C.B. Marshall, P.B. Stathopulos, Y. Kobashigawa, V. Stambolic, L.E. Kay, F. Inagaki, and M. Ikura, "Membrane-dependent modulation of the mTOR activator Rheb: NMR observations of a GTPase tethered to a lipid-bilayer nanodisc," J. Am. Chem. Soc. 135 (2013) 3367–3370. http://dx.doi.org/10.1021/ja312508w

R. Nygaard, Y. Zou, R.O. Dror, T.J. Mildorf, D.H. Arlow, A. Manglik, A.C. Pan, C.W. Liu, J.J. Fung, M.P. Bokoch, F.S. Thian, T.S. Kobilka, D.E. Shaw, L. Mueller, R.S. Prosser, B.K. Kobilka, "The Dynamic Process of beta2-Adrenergic Receptor Activation," Cell 152 (2013) 532–542. http://dx.doi.org/10.1016/j.cell.2013.01.008

progress U.H.N. Dürr, R. Soong, A. Ramamoorthy, "When detergent meets bilayer: birth and coming of age of lipid bicelles," Progress in Nuclear Magnetic Resonance Spectroscopy 69 (2013) 1–22. (Invited Review) http://dx.doi.org/10.1016/j.pnmrs.2013.01.001

A.J. Baldwin, L.E. Kay, "An R1ρ expression for a spin in chemical exchange between two sites with unequal transverse relaxation rates," Journal of Biomolecular NMR 55 (2013) 211-218. http://dx.doi.org/10.1007/s10858-012-9694-6

J. Yuk, M.J. Simpson, A.J. Simpson, "1-D and 2-D NMR-based metabolomics of earthworms exposed to endosulfan and endosulfan sulfate in soil," Environmental Pollution 175 (2013) 35-44. http://dx.doi.org/10.1016/j.envpol.2012.12.007

R.C. Breton and W.F. Reynolds, "Using NMR to identify and characterize natural products," Natural Product Reports 30 (2013) 501-524. (Review) http://dx.doi.org/10.1039/C2NP20104F

M.P. Latham, L.E. Kay, "Probing non-specific interactions of Ca2+-calmodulin in E. coli lysate," Journal of Biomolecular NMR 55 (2013) 239-247. http://dx.doi.org/10.1007/s10858-013-9705-2

J.R. McKelvie, M.W. Åslund, M.A. Celejewski, A.J. Simpson, M.J. Simpson, "Reduction in the earthworm metabolomic response after phenanthrene exposure in soils with high soil organic carbon content," Environmental Pollution 175 (2013) 75-81. http://dx.doi.org/10.1016/j.envpol.2012.12.018

H. Farooq, D. Courtier-Murias, R. Soong, H. Masoom, W. Maas, M. Fey, R. Kumar, M. Monette, H. Stronks, M.J. Simpson and A.J. Simpson, "Rapid parameter optimization of low signal-to-noise samples in NMR spectroscopy using rapid CPMG pulsing during acquisition: application to recycle delays," Magnetic Resonance in Chemistry 51 (2013) 129–135. http://dx.doi.org/10.1002/mrc.3923

D.E. Williams, D.S. Dalisay, F. Li , J. Amphlett, W. Maneerat, M.A.G. Chavez, Y.A. Wang, T. Matainaho, W. Yu, P.J. Brown, C.H. Arrowsmith, M. Vedadi, and R.J. Andersen, "Nahuoic Acid A Produced by a Streptomyces sp. Isolated From a Marine Sediment Is a Selective SAM-Competitive Inhibitor of the Histone Methyltransferase SETD8," Org. Lett. 15 (2013) 414-417. http://dx.doi.org/10.1021/ol303416k

P.M. Macdonald, Q. Saleem, A. Lai, H.H. Morales, "NMR Methods for Measuring Lateral Diffusion in Membranes," Chemistry and Physics of Lipids 166 (2013) 31–44. (Review) http://dx.doi.org/10.1016/j.chemphyslip.2012.12.004

J.G. Longstaffe, D. Courtier-Murias, A.J. Simpson, "The pH-dependence of organofluorine binding domain preference in dissolved humic acid," Chemosphere 90 (2013) 270–275. http://dx.doi.org/10.1016/j.chemosphere.2012.07.004

C. Plaza, D. Courtier-Murias, J.M. Fernández, A. Polo, A.J. Simpson, "Physical, chemical, and biochemical mechanisms of soil organic matter stabilization under conservation tillage systems: A central role for microbes and microbial by-products in C sequestration," Soil Biology and Biochemistry 57 (2013) 124–134. http://dx.doi.org/10.1016/j.soilbio.2012.07.026

R.D.A. Alvares, D.V. Tulumello, P.M. Macdonald, C.M. Deber, R.S. Prosser, "Effects of a polar amino acid substitution on helix formation and aggregate size along the detergent-induced peptide folding pathway," Biochimica et Biophysica Acta (BBA) - Biomembranes 1828 (2013) 373–381. http://dx.doi.org/10.1016/j.bbamem.2012.09.024

J.S. Clemente, M.J. Simpson, A.J. Simpson, S.F. Yanni, J.K. Whalen, "Comparison of soil organic matter composition after incubation with maize leaves, roots, and stems," Geoderma 192 (2013) 86-96.
http://dx.doi.org/10.1016/j.geoderma.2012.08.007

H. Masoom, D. Courtier-Murias, H. Farooq, R. Soong, M.J. Simpson, W. Maas, R. Kumar, M. Monette, H. Stronks, A.J. Simpson, "Rapid estimation of nuclear magnetic resonance experiment time in low-concentration environmental samples," Environmental Toxicology and Chemistry 32 (2013) 129–136. http://dx.doi.org/10.1002/etc.2028

P. Mitchell and M.J Simpson, "High affinity sorption domains in soil organic matter are blocked by O-alkyl components," Environ. Sci. Technol. 47 (2013) 412-419. http://dx.doi.org/10.1021/es303853x

B.G. Pautler, A. Dubnick, M.J. Sharp, A.J. Simpson, M.J. Simpson, "Comparison of cryoconite organic matter composition from Arctic and Antarctic glaciers at the molecular-level," Geochimica et Cosmochimica Acta 104 (2013) 1-18. http://dx.doi.org/10.1016/j.gca.2012.11.029

B.P. Lankadurai, D.M. Wolfe, M.L. Whitfield Åslund, A.J. Simpson, M.J. Simpson, "1H NMR-based metabolomic analysis of polar and non-polar earthworm metabolites after sub-lethal exposure to phenanthrene," Metabolomics 9 (2013) 44-56. http://dx.doi.org/10.1007/s11306-012-0427-3

2012

J.D. Cossar, C.H. Arrowsmith, "Efficient strategies for production of egbraryotic proteins," Comprehensive Biophysics 1 (2012) 4-33. (Book chapter) http://dx.doi.org/10.1016/B978-0-12-374920-8.00104-1

B.P. Lankadurai, A.J. Simpson, M.J. Simpson, "1H NMR metabolomics of Eisenia fetida responses after sub-lethal exposure to perfluorooctanoic acid and perfluorooctane sulfonate," Environmental Chemistry 9 (2012) 502-511. http://dx.doi.org/10.1071/EN12112

E.J. Stollar, H. Lin, A.R. Davidson, J.D. Forman-Kay, "Differential Dynamic Engagement within 24 SH3 Domain: Peptide Complexes Revealed by Co-Linear Chemical Shift Perturbation Analysis," PLoS ONE 7 (2012) e51282. http://dx.doi.org/10.1371/journal.pone.0051282

A.M. Ruschak, L.E. Kay, "Proteasome allostery as a population shift between interchanging conformers," Proc. Natl. Acad. Sci. USA 109 (2012) E3454-E3462. http://dx.doi.org/10.1073/pnas.1213640109

A. Sekhar, P. Vallurupalli, L.E. Kay, "Folding of the four-helix bundle FF domain from a compact on-pathway intermediate state is governed predominantly by water motion," Proc. Natl. Acad. Sci. USA 109 (2012) 19268-19273. http://dx.doi.org/10.1073/pnas.1212036109

G. Bouvignies and L.E. Kay, "Measurement of Proton Chemical Shifts in Invisible States of Slowly Exchanging Protein Systems by Chemical Exchange Saturation Transfer," J. Phys. Chem. B 116 (2012) 14311–14317. http://dx.doi.org/10.1021/jp311109u

S.T. Larda, M.P. Bokoch, F. Evanics, R.S. Prosser, "Lysine methylation strategies for characterizing protein conformations by NMR," Journal of Biomolecular NMR 54 (2012) 199-209.
http://dx.doi.org/10.1007/s10858-012-9664-z

M.P. Latham, L.E. Kay, "Is Buffer a Good Proxy for a Crowded Cell-Like Environment? A Comparative NMR Study of Calmodulin Side-Chain Dynamics in Buffer and E. coli Lysate," PLoS ONE 7 (2012) e48226. http://dx.doi.org/10.1371/journal.pone.0048226

M.W. Åslund, M.J. Simpson, A.J. Simpson, B.A. Zeeb, A. Rutter, "Earthworm metabolomic responses after exposure to aged PCB contaminated soils," Ecotoxicology 21 (2012) 1947-1956. http://dx.doi.org/10.1007/s10646-012-0928-x

K.Y. Chung, T.H. Kim, A. Manglik, R. Alvares, B.K. Kobilka, R.S. Prosser, "Role of detergents in conformational exchange of a G protein-coupled receptor," Journal of Biological Chemistry 287 (2012) 36305-36311. http://dx.doi.org/10.1074/jbc.M112.406371

J.P. López-Alonso, E.D. de Araujo, and V. Kanelis, "NMR and fluorescence studies of drug binding to the first nucleotide binding domain of SUR2A," Biochemistry 51 (2012) 9211–9222. http://dx.doi.org/10.1021/bi301019e

M. Wong, J. Hollinger, L.M. Kozycz, T.M. McCormick, Y. Lu, D.C. Burns, and D.S. Seferos, "An Apparent Size-Exclusion Quantification Limit Reveals a Molecular Weight Limit in the Synthesis of Externally Initiated Polythiophenes," ACS Macro Lett. 1 (2012) 1266–1269. http://dx.doi.org/10.1021/mz300333f

A. Popovic, B. Wu, C.H. Arrowsmith, A.M. Edwards, A.R. Davidson and K.L. Maxwell, "Structural and Biochemical Characterization of Phage λ FI Protein (gpFI) Reveals a Novel Mechanism of DNA Packaging Chaperone Activity," Journal of Biological Chemistry 287 (2012) 32085-32095. http://dx.doi.org/10.1074/jbc.M112.378349

A. Velyvis, A.M. Ruschak, L.E. Kay, "An Economical Method for Production of 2H, 13CH3-Threonine for Solution NMR Studies of Large Protein Complexes: Application to the 670 kDa Proteasome," PLoS ONE 7 (2012) e43725. http://dx.doi.org/10.1371/journal.pone.0043725

J.A. Marsh, S.A. Teichmann and J.D. Forman-Kay, "Probing the diverse landscape of protein flexibility and binding," Current Opinion in Structural Biology 22 (2012) 643-650. (Review, special issue on Biophysical methods) http://dx.doi.org/10.1016/j.sbi.2012.08.008

E. Kupče, L.E. Kay, "Parallel acquisition of multi-dimensional spectra in protein NMR," Journal of Biomolecular NMR 54 (2012) 1-7. http://dx.doi.org/10.1007/s10858-012-9646-1

J. Longstaffe, D. Courtier-Murias, R. Soong, M.J. Simpson, W.E. Maas, M. Fey, H. Hutchins, S. Krishnamurthy, J.O. Struppe, M. Alaee, R. Kumar, M. Monette, H. Stronks, and A.J. Simpson, "In-Situ Molecular-Level Elucidation of Organofluorine Binding Sites in a Whole Peat Soil," Environ. Sci. Technol. 46 (2012) 10508–10513. http://dx.doi.org/10.1021/es3026769

R.P. Hudson, P.A. Chong, I.I. Protasevich , R. Vernon, E. Noy, H. Bihler, J.L. An, O. Kalid, I. Sela-Culang, M. Mense, H. Senderowitz, C.G. Brouillette, and J.D. Forman-Kay, "Conformational Changes Relevant to Channel Activity and Folding within the first Nucleotide Binding Domain of the Cystic Fibrosis Transmembrane Conductance Regulator," Journal of Biological Chemistry 287 (2012) 28480–28494. http://dx.doi.org/10.1074/jbc.M112.371138

Q. Saleem, A. Lai, H.H. Morales, P.M. Macdonald, "Lateral Diffusion of Bilayer Lipids Measured via 31P CODEX NMR," Chemistry and Physics of Lipids 165 (2012) 721-730. http://dx.doi.org/10.1016/j.chemphyslip.2012.08.001

J. Yuk, M.J. Simpson, A.J. Simpson, "Coelomic fluid: a complimentary biological medium to assess sub-lethal endosulfan exposure using 1H NMR-based earthworm metabolomics," Ecotoxicology 21 (2012) 1301–1313.
http://dx.doi.org/10.1007/s10646-012-0884-5

A.J. Baldwin, P. Walsh, D.F. Hansen, G.R. Hilton, J.L.P. Benesch, S. Sharpe, L.E. Kay, "Probing dynamic conformations of the high molecular weight alphaB-crystallin heat shock protein ensemble by NMR spectroscopy," J. Am. Chem. Soc. 134 (2012) 15343–15350.
http://dx.doi.org/10.1021/ja307874r

A.J. Simpson, M.J. Simpson, and R. Soong, "Nuclear Magnetic Resonance Spectroscopy and its Key Role in Environmental Research," Environ. Sci. Technol. 46 (2012) 11488–11496. (Feature Article) http://dx.doi.org/10.1021/es302154w

J. Yau, S. Sharpe, "Structures of amyloid fibrils formed by the prion protein derived peptides PrP(244-249) and PrP(245-250)," Journal of Structural Biology 180 (2012) 290–302. http://dx.doi.org/10.1016/j.jsb.2012.08.002

H. Farooq, R. Soong, D. Courtier-Murias, C. Anklin, A. Simpson, "Tailoring 1H spin dynamics in small molecules via supercooled water: A promising approach for metabolite identification and validation," Analytical Chemistry 84 (2012) 6759-6766. http://dx.doi.org/10.1021/ac301078n

M.S. Al-Abdul-Wahid, C.M. DeMill, M.B. Serwin, R.S. Prosser, B.A. Stewart, "Effect of Juxtamembrane Tryptophans on the Immersion Depth of Synaptobrevin, an Integral Vesicle Membrane Protein," Biochimica et Biophysica Acta (BBA) - Biomembranes 1818 (2012) 2994–2999. http://dx.doi.org/10.1016/j.bbamem.2012.07.018

M.T. Mazhab-Jafari, C.B. Marshall, N. Ishiyama, J. Ho, V.D. Palma, V. Stambolic, M. Ikura, "An Autoinhibited Noncanonical Mechanism of GTP Hydrolysis by Rheb Maintains mTORC1 Homeostasis," Structure 20 (2012) 1528–1539. http://dx.doi.org/10.1016/j.str.2012.06.013

J.W. Thomson, X. Wang, L. Hoch, D. Faulkner, S. Petrov and G.A. Ozin, "Discovery and evaluation of a single source selenium sulfide precursor for the synthesis of alloy PbSxSe1-x nanocrystals," J. Mater. Chem. 22 (2012) 5984–5989. http://dx.doi.org/10.1039/c2jm30408b

K.P. McCook, A.R.M. Chen, W.F. Reynolds, P.B. Reese, "The potential of Cyathus africanus for transformation of terpene substrates," Phytochemistry 82 (2012) 61–66. http://dx.doi.org/10.1016/j.phytochem.2012.06.018

J.H. Frank, Y.L. Powder-George, R.S. Ramsewak, and W.F. Reynolds, "Variable-Temperature 1H NMR Studies on Two C-Glycosylflavones," Molecules 17 (2012) 7914-7926. http://dx.doi.org/10.3390/molecules17077914

C.B. Marshall, D. Meiri, M.J. Smith, M.T. Mazhab-Jafari, G.M.C. Gasmi-Seabrook, R. Rottapel, V. Stambolic, M. Ikura, "Probing the GTPase cycle with real-time NMR: GAP and GEF activities in cell extracts," Methods 57 (2012) 473–485. (Review, special issue on Protein-Protein Interactions) http://dx.doi.org/10.1016/j.ymeth.2012.06.014

G. Bouvignies, L.E. Kay, "A 2D 13C-CEST experiment for studying slowly exchanging protein systems using methyl probes: an application to protein folding," Journal of Biomolecular NMR 53 (2012) 303-310. http://dx.doi.org/10.1007/s10858-012-9640-7

Y. Yang, T.A. Ramelot, J.R. Cort, M. Garcia, A. Yee, C.H. Arrowsmith and M.A. Kennedy, "Solution NMR Structure of Hypothetical Protein CV_2116 Encoded by a Viral Prophage Element in Chromobacterium violaceum," Int. J. Mol. Sci. 13 (2012) 7354-7364. http://dx.doi.org/10.3390/ijms13067354

W.F. Reynolds, D.C. Burns, "Getting the Most Out of HSQC and HMBC Spectra," Annual Reports on NMR Spectroscopy 76 (2012) 1-21. (Review) http://dx.doi.org/10.1016/B978-0-12-397019-0.00001-7

D.M. Korzhnev, T.L. Religa, and L.E. Kay, "Transiently populated intermediate functions as a branching point of the FF domain folding pathway," Proc. Natl. Acad. Sci. USA 109 (2012) 17777-17782. http://dx.doi.org/10.1073/pnas.1201799109

M.J. Simpson, A.J. Simpson, "The Chemical Ecology of Soil Organic Matter Molecular Constituents," Journal of Chemical Ecology 38 (2012) 768-784. (Review) http://dx.doi.org/10.1007/s10886-012-0122-x

P. Vallurupalli, G. Bouvignies, and L.E. Kay, "Studying “Invisible” Excited Protein States in Slow Exchange with a Major State Conformation," J. Am. Chem. Soc. 134 (2012) 8148–8161. http://dx.doi.org/10.1021/ja3001419

D. Meiri, C.B. Marshall, M.A. Greeve, B. Kim, M. Balan, F. Suarez, C. Wu, J. LaRose, N. Fine, M. Ikura, R. Rottapel, "Mechanistic insight into the microtubule and actin cytoskeleton coupling through dynein-dependent RhoGEF inhibition," Molecular Cell 45 (2012) 642-655. http://dx.doi.org/10.1016/j.molcel.2012.01.027

P. Neudecker, P. Robustelli, A. Cavalli, P. Walsh, P. Lundström, A. Zarrine-Afsar, S. Sharpe, M. Vendruscolo, and L.E. Kay, "Structure of an Intermediate State in Protein Folding and Aggregation," Science 336 (2012) 362-366. http://dx.doi.org/10.1126/science.1214203

M. Guan, W. Wang, E.J. Henderson, O. Dag, C. Kübel, V.S.K. Chakravadhanula, J. Rinck, I.L. Moudrakovski, J. Thomson, J. McDowell, A.K. Powell, H. Zhang, and G.A. Ozin, "Assembling Photoluminescent Silicon Nanocrystals into Periodic Mesoporous Organosilica," J. Am. Chem. Soc. 134 (2012) 8439–8446. http://dx.doi.org/10.1021/ja209532e

D.B. Plewes and W. Kucharczyk, "Physics of MRI: A Primer," Journal of Magnetic Resonance Imaging 35 (2012) 1038–1054. (Review: MR Physics for Clinicians) http://dx.doi.org/10.1002/jmri.23642

A.J. Baldwin, L.E. Kay, "Measurement of the signs of methyl 13C chemical shift differences between interconverting ground and excited protein states by R1-rho: an application to alphaB-crystallin," Journal of Biomolecular NMR
53 (2012) 1-12. http://dx.doi.org/10.1007/s10858-012-9617-6

F. Wang, C.B. Marshall, K. Yamamoto, G.-Y. Li, G.M.C. Gasmi-Seabrook, H. Okada, T.W. Mak, and M. Ikura, "Structures of KIX domain of CBP in complex with two FOXO3a transactivation domains reveal promiscuity and plasticity in coactivator recruitment," Proc. Natl. Acad. Sci. USA 109 (2012) 6078-6083. http://dx.doi.org/10.1073/pnas.1119073109

G.C. Woods, M.J. Simpson, A.J. Simpson, "Oxidized sterols as a significant component of dissolved organic matter: Evidence from 2D HPLC in combination with 2D and 3D NMR spectroscopy," Water Research 46 (2012) 3398-3408. http://dx.doi.org/10.1016/j.watres.2012.03.040

C. Andresen, S. Helander, A. Lemak, C. Farès, V. Csizmok, J. Carlsson, L.Z. Penn, J.D. Forman-Kay, C.H. Arrowsmith, P. Lundström, and M. Sunnerhagen, "Transient structure and dynamics in the disordered c-Myc transactivation domain affect Bin1 binding," Nucleic Acids Research 40 (2012) 6353-6366. http://dx.doi.org/10.1093/nar/gks263

X. Liang, A.C. Da Paula, Z. Bozóky, H. Zhang, C.A. Bertrand, K.W. Peters, J.D. Forman-Kay, and R.A. Frizzell, "Phosphorylation-dependent 14-3-3 protein interactions regulate CFTR biogenesis," Molecular Biology of the Cell 23 (2012) 996-1009. http://dx.doi.org/10.1091/mbc.E11-08-0662

J.S. Clemente, E.G. Gregorich, A.J. Simpson, R. Kumar, D. Courtier-Murias, M.J. Simpson, "Comparison of nuclear magnetic resonance methods for the analysis of organic matter composition from soil density and particle fractions," Environmental Chemistry 9 (2012) 97-107. http://dx.doi.org/10.1071/EN11096

K. Nagashima, "B1 mapping of liquid NMR transversal RF coils: Analysis of heterogeneity and nonlinearity," Concepts in Magnetic Resonance Part B: Magnetic Resonance Engineering 41 (2012) 1-12. http://dx.doi.org/10.1002/cmr.b.20211

B. Pautler, G.C. Woods, A. Dubnick, A.J. Simpson, M.J. Sharp, S. Fitzsimons, and M.J. Simpson, "Molecular characterization of dissolved organic matter in glacial ice: Coupling natural abundance 1H NMR and fluorescence spectroscopy," Environ. Sci. Technol. 46 (2012) 3753-3761. http://dx.doi.org/10.1021/es203942y

J.B. Ames, S. Lim and M. Ikura, "Molecular structure and target recognition of neuronal calcium sensor proteins," Frontiers in Molecular Neuroscience
5 (2012) 10. (Review Article) http://dx.doi.org/10.3389/fnmol.2012.00010

D. Courtier-Murias, H. Farooq, H. Masoom, A. Botana, R. Soong, J.G. Longstaffe, M.J. Simpson, W.E. Maas, M. Fey, B. Andrew, J. Struppe, H. Hutchins, S. Krishnamurthy, R. Kumar, M. Monette, H.J. Stronks, A. Hume, A.J. Simpson, "Comprehensive Multiphase NMR Spectroscopy: Basic Experimental Approaches to Differentiate Phases in Heterogeneous Samples," Journal of Magnetic Resonance 217 (2012) 61–76. http://dx.doi.org/10.1016/j.jmr.2012.02.009

N. Popovych, J.R. Brender, R. Soong, S. Vivekanandan, K. Hartman, V. Basrur, P.M. Macdonald, and A. Ramamoorthy, "Site Specific Interaction of the Polyphenol EGCG with the SEVI Amyloid Precursor Peptide PAP(248-286)," J. Phys. Chem. B 116 (2012) 3650–3658. http://dx.doi.org/10.1021/jp2121577

M.T. Szpak, X. Monteys, S. O'Reilly, A.J. Simpson, X. Garcia, R.L. Evans, C.C.R. Allen, D.J. McNally, D. Courtier-Murias, B.P. Kelleher, "Geophysical and geochemical survey of a large marine pockmark on the Malin Shelf, Ireland," Geochemistry, Geophysics, Geosystems 13 (2012) Q01011. http://dx.doi.org/10.1029/2011GC003787

X. Tang, S. Orlicky, T. Mittag, V. Csizmok, T. Pawson, J.D. Forman-Kay, F. Sicheri, and M. Tyers, "Composite low affinity interactions dictate recognition of the cyclin-dependent kinase inhibitor Sic1 by the SCF(Cdc4) ubiquitin ligase," Proc. Natl. Acad. Sci. USA 109 (2012) 3287-3292. http://dx.doi.org/10.1073/pnas.1116455109

A. Rosato, J.M. Aramini, C. Arrowsmith, et al. "Blind Testing of Routine, Fully Automated Determination of Protein Structures from NMR Data," Structure 20 (2012) 227–236. http://dx.doi.org/10.1016/j.str.2012.01.002

A.L. Hansen, P. Lundström, A. Velyvis, and L.E. Kay, "Quantifying Millisecond Exchange Dynamics in Proteins by CPMG Relaxation Dispersion NMR Using Side-Chain 1H Probes," J. Am. Chem. Soc. 134 (2012) 3178–3189. http://dx.doi.org/10.1021/ja210711v

C. Escobedo-Martínez, M.C. Lozada, S. Hernández-Ortega, M.L. Villarreal, D. Gnecco, R.G. Enríquez and W. Reynolds, "1H and 13C NMR characterization of new cycloartane triterpenes from Mangifera indica," Magn. Reson. Chem. 50 (2012) 52–57. http://dx.doi.org/10.1002/mrc.2836

J.A. Marsh, J.D. Forman-Kay, "Ensemble modeling of protein disordered states: Experimental restraint contributions and validation," Proteins: Structure, Function, and Bioinformatics 80 (2012) 556–572. http://dx.doi.org/10.1002/prot.23220

A.U. Singer, B. Wu, A. Yee, R.S. Houliston, X. Xu, H. Cui, T. Skarina, M. Garcia, A. Semesi, C.H. Arrowsmith, and A. Savchenko, "Structural analysis of HopPmaL reveals the presence of a second adaptor domain common to the HopAB family of Pseudomonas syringae type III effectors," Biochemistry 51 (2012) 1-3. http://dx.doi.org/10.1021/bi2013883

Y. Powder-George, J. Frank, R.S. Ramsewak and W.F. Reynolds, "The Use of Coupled HSQC Spectra to Aid in Stereochemical Assignments of Molecules with Severe Proton Spectral Overlap," Phytochemical Analysis 23 (2012) 274–277. http://dx.doi.org/10.1002/pca.1354

J. Barette, A. Velyvis, T.L. Religa, D.M. Korzhnev, and L.E. Kay, "Cross Validation of the Structure of a Transiently Formed and Low Populated FF Domain Folding Intermediate Determined by Relaxation Dispersion NMR and CS-Rosetta," J. Phys. Chem. B 116 (2011) 6637–6644. (Special Issue) http://dx.doi.org/10.1021/jp209974f

progress J.L. Kitevski-LeBlanca and R.S. Prosser, "Current Applications of 19F NMR to Studies of Protein Structure and Dynamics," Progress in Nuclear Magnetic Resonance Spectroscopy 62 (2012) 1-33. (Invited Review) http://dx.doi.org/10.1016/j.pnmrs.2011.06.003

M. Whitfield-Aslund, H. McShane , M.J. Simpson , A.J. Simpson , J. Whalen, W.H. Hendershot, and G. Sunahara, "Earthworm Sub-Lethal Responses to Titanium Dioxide Nanomaterial in Soil Detected by 1H NMR Metabolomics," Environ. Sci. Technol. 46 (2012) 1111-1118. http://dx.doi.org/10.1021/es202327k

2011

J.A. Marsh, J.D. Forman-Kay, "Experimental and computational characterization of disordered states of proteins," Advances in Biomedical Spectroscopy 3 (2011) 77-96. http://dx.doi.org/10.3233/978-1-60750-695-9-77
in "Advances in Biomedical Spectroscopy" IOS Press Book Series, volume 3, 2011 http://www.booksonline.iospress.nl/Content/View.aspx?piid=19188

A. Espinosa, J. Hennig, A. Ambrosi, M. Anandapadmanaban, M.S. Abelius, Y. Sheng, F. Nyberg, C.H. Arrowsmith, M. Sunnerhagen, M. Wahren-Herlenius, "Anti-Ro52 Autoantibodies from Patients with Sjogren's Syndrome Inhibit the Ro52 E3 Ligase Activity by Blocking the E3/E2 Interface," Journal of Biological Chemistry 286 (2011) 36478-36491. http://dx.doi.org/10.1074/jbc.M111.241786

G.C. Woods, M.J. Simpson, B.G. Pautler, S.F. Lamoureux, M.J. Lafreniere, A.J. Simpson, "Evidence for the enhanced lability of dissolved organic matter following permafrost slope disturbance in the Canadian High Arctic," Geochimica Et Cosmochimica Acta 75 (2011) 7226-7241. http://dx.doi.org/10.1016/j.gca.2011.08.013

K.L. Yap and M. Ikura, "Calmodulin," Encyclopedia of Inorganic and Bioinorganic Chemistry, Wiley (2011).
http://dx.doi.org/10.1002/9781119951438.eibc0504

A.J. Baldwin, H. Lioe, G.R. Hilton, L.A. Baker, J.L. Rubinstein, L.E. Kay, J.L.P. Benesch, "The Polydispersity of alphaB-Crystallin Is Rationalized by an Interconverting Polyhedral Architecture," Structure 19 (2011) 1855-1863. http://dx.doi.org/10.1016/j.str.2011.09.015

J.A. Marsh, J.D. Forman-Kay, "Ensemble modeling of protein disordered states: Experimental restraint contributions and validation," Proteins: Structure, Function, and Bioinformatics 80 (2011) 556-572. http://dx.doi.org/10.1002/prot.23220

S. Tammam, L.M. Sampaleanu, J. Koo, P. Sundaram, M. Ayers, P.A. Chong, J.D. Forman-Kay, L.L. Burrows, P.L. Howell, "Characterization of the PilN, PilO and PilP type IVa pilus subcomplex," Molecular Microbiology 82 (2011) 1496–1514. http://dx.doi.org/10.1111/j.1365-2958.2011.07903.x

A. Lemak, A. Yee, I. Bezsonova, S. Dhe-Paganon, C.H. Arrowsmith, "Zn-binding AZUL domain of human ubiquitin protein ligase Ube3A," Journal of Biomolecular NMR 51 (2011) 185-190. http://dx.doi.org/10.1007/s10858-011-9552-y

M.S. Al-Abdul-Wahid, R. Verardi, G. Veglia, R.S. Prosser, "Topology and immersion depth of an integral membrane protein by paramagnetic rates from dissolved oxygen," Journal of Biomolecular NMR 51 (2011) 173-183.
http://dx.doi.org/10.1007/s10858-011-9551-z

P. Vallurupalli, G. Bouvignies, and L.E. Kay, "Increasing the Exchange Time-Scale That Can Be Probed by CPMG Relaxation Dispersion NMR," J. Phys. Chem. B 115 (2011) 14891–14900. http://dx.doi.org/10.1021/jp209610v

J.R. Bothe, E.N. Nikolova, C.D. Eichhorn, J. Chugh, A.L. Hansen and H.M. Al-Hashimi, "Characterizing RNA dynamics at atomic resolution using solution-state NMR spectroscopy," Nature Methods 8 (2011) 919–931. (Review) http://dx.doi.org/10.1038/nmeth.1735

H. Sun, L.E. Kay, and V. Tugarinov, "An Optimized Relaxation-Based Coherence Transfer NMR Experiment for the Measurement of Side-Chain Order in Methyl-Protonated, Highly Deuterated Proteins," J. Phys. Chem. B 115 (2011) 14878–14884. http://dx.doi.org/10.1021/jp209049k

M. Seino, W. Wang, J.E. Lofgreen, D.P. Puzzo, T. Manabe, and G.A. Ozin, "Low-k Periodic Mesoporous Organosilica with Air Walls: POSS-PMO," J. Am. Chem. Soc. 133 (2011) 18082–18085. http://dx.doi.org/10.1021/ja2080136

NMR Spectroscopy of Polymers P.M. Macdonald, "Diffusion NMR of Polymers in Bicelles," Chapter 14, NMR Spectroscopy of Polymers: Innovative Strategies for Complex Macromolecules, Eds. H.N. Cheng, T. Asakura, A.D. English, ACS (2011) pp. 221-250. http://dx.doi.org/10.1021/bk-2011-1077.ch014

J.R. McKelvie, D.M. Wolfe, M.A. Celejewski, M. Alaee, A.J. Simpson, M.J. Simpson, "Metabolic responses of Eisenia fetida after sub-lethal exposure to organic contaminants with different toxic modes of action," Environmental Pollution 159 (2011) 3620-3626. http://dx.doi.org/10.1016/j.envpol.2011.08.002

J.S. Clemente, A.J. Simpson, M.J. Simpson, "Association of specific organic matter compounds in size fractions of soils under different environmental controls," Organic Geochemistry 42 (2011) 1169-1180. http://dx.doi.org/10.1016/j.orggeochem.2011.08.010

V. Kanelis, P.A. Chong, J.D. Forman-Kay, "NMR spectroscopy to study the dynamics and interactions of CFTR," Methods in molecular biology 741 (2011) 377-403. http://dx.doi.org/10.1007/978-1-61779-117-8_25

A.L. Hansen, L.E. Kay, "Quantifying millisecond time-scale exchange in proteins by CPMG relaxation dispersion NMR spectroscopy of side-chain carbonyl groups," Journal of Biomolecular NMR 50 (2011) 347-355. http://dx.doi.org/10.1007/s10858-011-9520-6

G. Bouvignies, P. Vallurupalli, D.F. Hansen, B.E. Correia, O. Lange, A. Bah, R.M. Vernon, F.W. Dahlquist, D. Baker and L.E. Kay, "Solution structure of a minor and transiently formed state of a T4 lysozyme mutant," Nature 477 (2011) 111–114. http://dx.doi.org/10.1038/nature10349

P.M. Macdonald, R. Soong, "Diffusion NMR and bicelle morphology," Canadian Journal of Chemistry 89 (2011) 1021-1035. (Review) (Special Issue) http://dx.doi.org/10.1139/v11-038

L.E. Kay, "NMR studies of protein structure and dynamics – A look backwards and forwards," Journal of Magnetic Resonance 213 (2011) 492–494. (Advances in Magnetic Resonance) http://dx.doi.org/10.1016/j.jmr.2011.08.010

A.J. Baldwin, H. Lioe, C.V. Robinson, L.E. Kay, J.L.P. Benesch, "alfaB-crystallin polydispersity is a consequence of unbiased quaternary dynamics," Journal of Molecular Biology 413 (2011) 297-309. http://dx.doi.org/10.1016/j.jmb.2011.07.016

A.J. Baldwin, G.R. Hilton, H. Lioe, C. Bagneris, J.L.P. Benesch, L.E. Kay, "Quaternary dynamics of alfaB-crystallin as a direct consequence of localised tertiary fluctuations in the C-terminus," Journal of Molecular Biology 413 (2011) 310-320. http://dx.doi.org/10.1016/j.jmb.2011.07.017

J. Giri, M.S. Diallo, A.J. Simpson, Y. Liu, W.A. Goddard, R. Kumar, G.C. Woods, "Interactions of Poly(amidoamine) Dendrimers with Human Serum Albumin: Binding Constants and Mechanisms," ACS NANO 5 (2011) 3456-3468. http://dx.doi.org/10.1021/nn1021007

M.S. Al-Abdul-Wahid, F. Evanics, R.S. Prosser, "Dioxygen Transmembrane Distributions and Partitioning Thermodynamics in Lipid Bilayers and Micelles," Biochemistry 50 (2011) 3975-3983. http://dx.doi.org/10.1021/bi200168n

N. Nady, A. Lemak, J.R. Walker, G.V. Avvakumov, M.S. Kareta, M. Achour, S. Xue, S. Duan, A. Allali-Hassani, X. Zuo, Y.-X. Wang, C. Bronner, F. Chédin, C.H. Arrowsmith and S. Dhe-Paganon, "Recognition of multivalent histone states associated with heterochromatin by UHRF1 protein," Journal of Biological Chemistry 286 (2011) 24300-24311. http://dx.doi.org/10.1074/jbc.M111.234104

J. Yuk, M.J. Simpson, A.J. Simpson, "1-D and 2-D NMR metabolomics of earthworm responses to sub-lethal trifluralin and endosulfan exposure," Environmental Chemistry 8 (2011) 281-294. http://dx.doi.org/10.1071/EN11033

J.G. Longstaffe and A.J. Simpson, "Understanding solution-state noncovalent interactions between xenobiotics and natural organic matter using 19F/1H heteronuclear saturation transfer difference nuclear magnetic resonance spectroscopy," Environmental Toxicology and Chemistry 30
(2011) 1745–1753.
http://dx.doi.org/10.1002/etc.560

H. Kato, H. van Ingen, B.-R. Zhou, H. Feng, M. Bustin, L.E. Kay, and Y. Bai, "Architecture of the high mobility group nucleosomal protein 2-nucleosome complex as revealed by methyl-based NMR," Proc. Natl. Acad. Sci. USA 108 (2011) 12283-12288. http://dx.doi.org/10.1073/pnas.1105848108

E.D. De Araujo, L.K. Ikeda, S. Tzvetkova, and V. Kanelis, "The first nucleotide binding domain of the sulfonylurea receptor 2A contains regulatory elements and is folded and functions as an independent module," Biochemistry 50 (2011) 6655-6666. http://dx.doi.org/10.1021/bi200434d

B.R.G. Gordon, Y. Li, A. Cote, M.T. Weirauch, P. Ding, T.R. Hughes, W.W. Navarre, B. Xia, and J. Liua, "Structural basis for recognition of AT-rich DNA by unrelated xenogeneic silencing proteins," Proc. Natl. Acad. Sci. USA 108 (2011) 10690-10695. (F1000 evaluation) http://dx.doi.org/10.1073/pnas.1102544108

D.M. Korzhnev, R.M. Vernon, T.L. Religa, A.L. Hansen, D. Baker, A.R Fersht, and L.E. Kay, "Non-Native Interactions in the FF Domain Folding Pathway From an Atomic Resolution Structure of a Sparsely Populated Intermediate: An NMR Relaxation Dispersion Study," J. Am. Chem. Soc. 133 (2011) 10974-10982. http://dx.doi.org/10.1021/ja203686t

B.P. Lankadurai, D.M. Wolfe, A.J. Simpson, M.J. Simpson, "1H NMR-based metabolomics of time-dependent responses of Eisenia fetida to sub-lethal phenanthrene exposure," Environmental Pollution 159 (2011) 2845-2851. http://dx.doi.org/10.1016/j.envpol.2011.04.044

M.V. McCaul, D. Sutton, A.J. Simpson, A. Spence, D.J. McNally, B.W. Moran, A. Goel, B. O’Connor, K. Hart and B.P. Kelleher, "Composition of dissolved organic matter within a lacustrine environment," Environmental Chemistry 8 (2011) 146–154. http://dx.doi.org/10.1071/EN10109

B.P. Lankadurai, D.M. Wolfe, A.J. Simpson, M.J. Simpson, "1H NMR-based metabolomic observation of a two-phased toxic mode of action in Eisenia fetida after sub-lethal phenanthrene exposure," Environmental Chemistry 8 (2011) 105-114. http://dx.doi.org/10.1071/EN10094

T.L. Religa, A.M. Ruschak, R. Rosenzweig, and L.E. Kay, "Site-Directed Methyl Group Labeling as an NMR Probe of Structure and Dynamics in Supra-Molecular Protein Systems: Applications to the Proteasome and to the ClpP Protease," J. Am. Chem. Soc. 133 (2011) 9063-9068. http://dx.doi.org/10.1021/ja202259a

D.F. Hansen and L.E. Kay, "Determining Valine Side-Chain Rotamer Conformations in Proteins from Methyl 13C Chemical Shifts: Application to the 360 kDa Half-Proteasome," J. Am. Chem. Soc. 133 (2011) 8272–8281. http://dx.doi.org/10.1021/ja2014532

B.G. Pautler, A.J. Simpson, M.J. Simpson, L.-H. Tseng, M. Spraul, A. Dubnick, M.J. Sharp, and S.J. Fitzsimons, "Detection and Structural Identification of Dissolved Organic Matter in Antarctic Glacial Ice at Natural Abundance by SPR-W5-WATERGATE 1H NMR Spectroscopy," Environ. Sci. Technol. 45 (2011) 4710–4717. http://dx.doi.org/10.1021/es200697c

J.A. Pedersen, M.A. Simpson, J.G. Bockheim, K. Kumar, "Characterization of soil organic carbon in drained thaw-lake basins of arctic Alaska using NMR and FTIR photoacoustic spectroscopy," Organic Geochemistry 42 (2011) 947-954. http://dx.doi.org/10.1016/j.orggeochem.2011.04.003

G. Bouvignies, P. Vallurupalli, M.H.J. Cordes, D.F. Hansen, L.E. Kay, "Measuring 1H-N temperature coefficients in invisible protein states by relaxation dispersion NMR spectroscopy," Journal of Biomolecular NMR 50 (2011) 13-18. http://dx.doi.org/10.1007/s10858-011-9498-0

M.L. Whitfield Åslund, A.J. Simpson, M.J. Simpson, "1H NMR metabolomics of earthworm responses to polychlorinated biphenyl (PCB) exposure in soil," Ecotoxicology 20 (2011) 836-846. http://dx.doi.org/10.1007/s10646-011-0638-9

G.C. Woods, M.J. Simpson, P.J. Koerner, A. Napoli, and A.J. Simpson, "HILIC-NMR: Toward the Identification of Individual Molecular Components in Dissolved Organic Matter," Environ. Sci. Technol. 45 (2011) 3880-3886. http://dx.doi.org/10.1021/es103425s

S. Sharpe, K. Simonetti, J. Yau, and P. Walsh, "Solid-State NMR Characterization of Autofluorescent Fibrils Formed by the Elastin-Derived Peptide GVGVAGVG," Biomacromolecules 12 (2011) 1546-1555. http://dx.doi.org/10.1021/bm101486s

M.-P. Nieh, V.A. Raghunathan, G. Pabst, T. Harroun, K. Nagashima, H. Morales, J. Katsaras, and P. Macdonald, "Temperature Driven Annealing of Perforations in Bicellar Model Membranes," Langmuir 27 (2011) 4838-4847. http://dx.doi.org/10.1021/la104750x

X. Feng and M.J. Simpson, "Molecular-level methods for monitoring soil organic matter responses to global climate change," Journal of Environmental
Monitoring
13 (2011) 1246-1254. http://dx.doi.org/10.1039/c0em00752h

Z. Xie, E.J. Henderson, O. Dag, W. Wang, J.E. Lofgreen, C. Kbel, T. Scherer, P.M. Brodersen, Z.-Z. Gu, and G.A. Ozin, "Periodic Mesoporous Hydridosilica - Synthesis of an “Impossible” Material and Its Thermal Transformation into Brightly Photoluminescent Periodic Mesoporous Nanocrystal Silicon-Silica Composite," J. Am. Chem. Soc. 133 (2011) 5094-5102. http://dx.doi.org/10.1021/ja111495x

M. Dey, A. Velyvis, J.J. Li, E. Chiu, D. Chiovitti, L.E. Kay, F. Sicheri, and T.E. Dever, "Requirement for kinase-induced conformational change in eukaryotic initiation factor 2a (eIF2a) restricts phosphorylation of Ser51," Proc. Natl. Acad. Sci. USA 108 (2011) 4316-4321. http://dx.doi.org/10.1073/pnas.1014872108

A. Spence, A.J. Simpson, D.J. McNally, B.W. Moran, M.V. McCaul, K. Hart, B. Paull, B.P. Kelleher, "The Degradation Characteristics of Microbial Biomass in Soil," Geochimica et Cosmochimica Acta 75 (2011) 2571-2581. http://dx.doi.org/10.1016/j.gca.2011.03.012

L.E. Kay, "Solution NMR Spectroscopy of Supra-Molecular Systems, Why Bother? A Methyl TROSY View," Journal of Magnetic Resonance 210 (2011) 159-170. (Perspectives in Magnetic Resonance) http://dx.doi.org/10.1016/j.jmr.2011.03.008

progress A.J. Simpson, D.J. McNally, M.J. Simpson "NMR Spectroscopy in Environmental Research: From Molecular Interactions to Global Processes," Progress in Nuclear Magnetic Resonance Spectroscopy 58 (2011) 97-175. (Invited Review) http://dx.doi.org/10.1016/j.pnmrs.2010.09.001

J.W. Thomson, K. Nagashima, P.M. Macdonald, and G.A. Ozin, "From Sulfur-Amine Solutions to Metal Sulfide Nanocrystals: Peering into the Oleylamine-Sulfur Black Box," J. Am. Chem. Soc. 133 (2011) 5036-5041. http://dx.doi.org/10.1021/ja1109997

J.E. Lofgreen, I.L. Moudrakovski, and G.A. Ozin, "Molecularly Imprinted Mesoporous Organosilica," ACS Nano 5 (2011) 2277-2287. http://dx.doi.org/10.1021/nn1035697

M. Whitfield-Åslund, M. Celejewski, B.P. Lankadurai, A.J. Simpson, M.J. Simpson, "Natural variability and correlations in the metabolic profile of healthy Eisenia fetida earthworms observed using 1H NMR metabolomics," Chemosphere 83 (2011) 1096-1101. http://dx.doi.org/10.1016/j.chemosphere.2011.01.036

J. Shloush, J.E. Vlassov, I. Engson, S. Duan, V. Saridakis, S. Dhe-paganon, B. Raught, Y. Sheng, and C.H. Arrowsmith, "Structural and Functional Comparison of the RING Domains of Two p53 E3 Ligases, Mdm2 and Pirh2," Journal of Biological Chemistry 286 (2011) 4796-4808. http://dx.doi.org/10.1074/jbc.M110.157669

S. Ko, H. Kim, J. Yun, A. Yee, C.H. Arrowsmith, C. Cheong, W. Lee, "Solution structure of MTH1821, a putative structure homologue to RNA polymerase a subunit from Methanobacterium thermoautotrophicum," Proteins: Structure, Function and Bioformatics 79 (2011) 1347-1351. http://dx.doi.org/10.1002/prot.22956

J.R. Brender, R.P.R. Nanga, N. Popovych, R. Soong, P.M. Macdonald, A. Ramamoorthy, "The amyloidogenic SEVI precursor, PAP248-286, is highly unfolded in solution despite an underlying helical tendency," Biochimica et Biophysica Acta (BBA) - Biomembranes 1808 (2011) 1161-1169. http://dx.doi.org/10.1016/j.bbamem.2011.01.010

G. Bouvignies, D.F. Hansen, P. Vallurupalli, and L.E. Kay, "Divided-Evolution-Based Pulse Scheme for Quantifying Exchange Processes in Proteins: Powerful Complement to Relaxation Dispersion Experiments," J. Am. Chem. Soc. 133 (2011) 1935-1945. http://dx.doi.org/10.1021/ja109589y

X. Feng, K. Hills, A.J. Simpson, J.K. Whalen, M.J. Simpson, "The role of biodegradation and photo-oxidation in the transformation of terrigenous
organic matter," Organic Geochemistry 42 (2011) 262-274. http://dx.doi.org/10.1016/j.orggeochem.2011.01.002

L. Zheng, P.B. Stathopulos, R. Schindl, G.-Y. Li, C. Romanin, and M. Ikura, "Auto-inhibitory role of the EF-SAM domain of STIM proteins in store-operated calcium entry," Proc. Natl. Acad. Sci. USA 108 (2011) 1337-1342. http://dx.doi.org/10.1073/pnas.1015125108

A. Lemak, A. Gutmanas, S. Chitayat, M. Karra, C. Farès, M. Sunnerhagen, C.H. Arrowsmith, "A novel strategy for NMR resonance assignment and protein structure determination," Journal of Biomolecular NMR 49 (2011) 27-38. (F1000 evaluation) http://dx.doi.org/10.1007/s10858-010-9458-0

L. Kaustov, H. Ouyang, M. Amaya, A. Lemak, N. Nady, S. Duan, G.A. Wasney, Z. Li, M. Vedadi, M. Schapira, J. Min and C.H. Arrowsmith, "Recognition and Specificity Determinants of the Human Cbx Chromodomains," Journal of Biological Chemistry 286 (2011) 521-529. http://dx.doi.org/10.1074/jbc.M110.191411

A.S. Pinheiro, J.A. Marsh, J.D. Forman-Kay, and W. Peti, "Structural Signature of the MYPT1-PP1 Interaction," J. Am. Chem. Soc. 133 (2011) 73–80. http://dx.doi.org/10.1021/ja107810r

G. Song, M.H.B. Hayes, E.H. Novotny, A.J. Simpson, "Isolation and fractionation of soil humin using alkaline urea and dimethylsulphoxide plus sulphuric acid," Naturwissenschaften 98 (2011) 7-13. http://dx.doi.org/10.1007/s00114-010-0733-4

2010

L.L. Mao, P.B. Stathopulos, M. Ikura, M. Inouye, "Secretion of human superoxide dismutase in Escherichia coli using the condensed single-protein-production system," Protein Science 19 (2010) 2330-2335. http://dx.doi.org/10.1002/pro.512

J. Yuk, J.R. McKelvie, M.J. Simpson, M. Spraul, A.J. Simpson, "Comparison of 1-D and 2-D NMR techniques for screening earthworm responses to sub-lethal endosulfan exposure," Environmental Chemistry 7 (2010) 524-536. http://dx.doi.org/10.1071/EN10084

E. Kupce, L.E. Kay, and R. Freeman, "Detecting the “Afterglow” of 13C NMR in Proteins Using Multiple Receivers," J. Am. Chem. Soc. 132 (2010) 18008–18011. http://dx.doi.org/10.1021/ja1080025

J.L. Kitevski-LeBlanc, F. Evanics and R.S. Prosser, "Optimizing 19F NMR protein spectroscopy by fractional biosynthetic labeling," Journal of Biomolecular NMR 48 (2010) 113-121. http://dx.doi.org/10.1007/s10858-010-9443-7

H. Mizuno, T.K. Mal, M. Wälchli, T. Fukano, M. Ikura, A. Miyawaki, "Molecular basis of photochromism of a fluorescent protein revealed by direct 13C detection under laser illumination," Journal of Biomolecular NMR 48 (2010) 237-246. http://dx.doi.org/10.1007/s10858-010-9453-5

S. Ko, G.B. Kang, S.M. Song, J.-G. Lee, D.Y. Shin, J.-H. Yun, Y. Sheng, C. Cheong, Y.H. Jeon, Y.-K. Jung, C.H. Arrowsmith, G.V. Avvakumov, S. Dhe-Paganon, Y.J. Yoo, S.H. Eom, and W. Lee, "Structural Basis of E2-25K/UBB+1 Interaction Leading to Proteasome Inhibition and Neurotoxicity," Journal of Biological Chemistry 285 (2010) 36070-36080. http://dx.doi.org/10.1074/jbc.M110.145219

J. Chan, H. Yamazaki, N. Ishiyama, M.-D. Seo, T.K. Mal, T. Michikawa, K. Mikoshiba, and M. Ikura, "Structural Studies of Inositol 1,4,5-Trisphosphate Receptor COUPLING LIGAND BINDING TO CHANNEL GATING," Journal of Biological Chemistry 285 (2010) 36092-36099. http://dx.doi.org/10.1074/jbc.M110.140160

P.A. Chong, H. Lin, J.L. Wrana, and J.D. Forman-Kay, "Coupling of tandem Smad ubiquitination regulatory factor (Smurf) WW domains modulates target specificity," Proc. Natl. Acad. Sci. USA 107 (2010) 18404-18409. http://dx.doi.org/10.1073/pnas.1003023107

A.M. Ruschak, A. Velyvis, L.E. Kay, "A simple strategy for 13C,1H labeling at the Ile-y2 methyl position in highly deuterated proteins," Journal of Biomolecular NMR 48 (2010) 129-135. http://dx.doi.org/10.1007/s10858-010-9449-1

A.M. Ruschak, T.L. Religa, S. Breuer, S. Witt and L.E. Kay, "The proteasome antechamber maintains substrates in an unfolded state," Nature 467 (2010) 868–871. http://dx.doi.org/10.1038/nature09444

J.-X. Lu, S. Sharpe, R. Ghirlando, W.-M. Yau, R. Tycko, "Oligomerization state and supramolecular structure of the HIV-1 Vpu protein transmembrane segment in phospholipid bilayers," Protein Science 19 (2010) 1877-1896. http://dx.doi.org/10.1002/pro.474

J.C. D'eon, A.J. Simpson, R. Kumar, A.J. Baer, S.A. Mabury, "Determining the molecular interactions of perfluorinated carboxylic acids with human sera and isolated human serum albumin using nuclear magnetic resonance spectroscopy," Environmental Toxicology and Chemistry 29 (2010) 1678-1688. http://dx.doi.org/10.1002/etc.204

D.M. Korzhnev, T.L. Religa, W.Banachewicz, A.R. Fersht, L.E. Kay, "A Transient and Low-Populated Protein-Folding Intermediate at Atomic Resolution", Science 329 (2010) 1312-1316. (F1000 evaluation) http://dx.doi.org/10.1126/science.1191723

N. Fatemi, D.M. Korzhnev, A. Velyvis, B. Sarkar and J.D. Forman-Kay, "NMR Characterization of Copper-binding Domains 4-6 of ATP7B", Biochemistry 49 (2010) 8468-8477. http://dx.doi.org/10.1021/bi1008535

X. Feng, A.J. Simpson, E.G. Gregorich, B. Elberling, D.W. Hopkins, A.D. Sparrow, P.M. Novis, L.G. Greenfield, M.J. Simpson, "Chemical Characterization of Microbial-Dominated Soil Organic Matter in the Garwood Valley, Antarctica," Geochimica et Cosmochimica Acta 74 (2010) 6485-6498. http://dx.doi.org/10.1016/j.gca.2010.08.019

EMR R. Muhandiram and L.E. Kay "3D HMQC-NOESY, NOESY-HMQC, and NOESY-HSQC," Chapter 25, Multidimensional NMR Methods for the Solution State (EMR Books), Eds. G.A. Morris and J.W. Emsley, Wiley (2010) pp. 335-350. http://dx.doi.org/10.1002/9780470034590.emrstm0563

B. Wu, T. Skarina, A. Yee, M.C. Jobin, R. Dileo, A. Semesi, C. Fares, A. Lemak, B.K. Coombes, C.H. Arrowsmith, A.U. Singer, A. Savchenko, "NleG Type 3 Effectors from Enterohaemorrhagic Escherichia coli Are U-Box E3 Ubiquitin Ligases", PLoS Pathogens 6 (2010) e1000960 (1-17). http://dx.doi.org/10.1371/journal.ppat.1000960

T.L. Religa, L.E. Kay, "Optimal methyl labeling for studies of supra-molecular systems", J Biomol NMR 47 (2010) 163–169. http://dx.doi.org/10.1007/s10858-010-9419-7

A.J. Baldwin, T.L. Religa, D.F. Hansen, G. Bouvignies and L.E. Kay, "13C-HD2 Methyl Group Probes of Millisecond Time Scale Exchange in Proteins by 1H Relaxation Dispersion: An Application to Proteasome Gating Residue Dynamics", J. Am. Chem. Soc. 132 (2010) 10992-10995. http://dx.doi.org/10.1021/ja104578n

G. Bouvignies, D.M. Korzhnev, P. Neudecker, D.F. Hansen, D. Flemming, M.H.J. Cordes, L.E. Kay, "A simple method for measuring signs of H-1(N) chemical shift differences between ground and excited protein states," Journal of Biomolecular NMR 47 (2010) 135-141. http://dx.doi.org/10.1007/s10858-010-9418-8

X.Y. Xu, H.W. Sun, M.J. Simpson, "Concentration- and time-dependent sorption and desorption behavior of phenanthrene to geosorbents with varying organic matter composition," Chemosphere 79 (2010) 772-778.
http://dx.doi.org/10.1016/j.chemosphere.2010.03.027

J.G. Longstaffe, M.J. Simpson, W. Maas and A.J. Simpson, "Identifying Components in Dissolved Humic Acid That Bind Organofluorine Contaminants using 1H{19F} Reverse Heteronuclear Saturation Transfer Difference NMR Spectroscopy," Environ. Sci. Technol. 44 (2010) 5476–5482. http://dx.doi.org/10.1021/es101100s

C.M. Byrne, M.H.B. Hayes, R. Kumar, E.H. Novotny, G. Lanigan, K.G. Richards, D. Fay, A.J. Simpson, "Compositional Changes in the Hydrophobic acids fraction of Drainage Water from Different Land Management Practices," Water Research 44 (2010) 4379-4390. http://dx.doi.org/10.1016/j.watres.2010.05.055

P. Walsh, P. Neudecker and S. Sharpe, "Structural Properties and Dynamic Behavior of Nonfibrillar Oligomers Formed by PrP(106-126)," J. Am. Chem. Soc. 132 (2010) 7684–7695. http://dx.doi.org/10.1021/ja100431q

D.F. Hansen, P. Neudecker and L.E. Kay, "Determination of Isoleucine Side-Chain Conformations in Ground and Excited States of Proteins from Chemical Shifts," J. Am. Chem. Soc. 132 (2010) 7589–7591. http://dx.doi.org/10.1021/ja102090z

B.G. Pautler, A.J. Simpson, D.J. McNally, S.F. Lamoureux and M.J. Simpson, "Arctic Permafrost Active Layer Detachments Stimulate Microbial Activity and Degradation of Soil Organic Matter," Environmental Science & Technology 44 (2010) 4076–4082. http://dx.doi.org/10.1021/es903685j

G. Woods, M.J. Simpson, B.P. Kelleher, M. McCaul, W.L. Kingery, and A.J. Simpson, "Online High-Performance Size Exclusion Chromatography-Nuclear Magnetic Resonance for the Characterization of Dissolved Organic Matter," Environmental Science & Technology 44 (2010) 624-630. http://dx.doi.org/10.1021/es903042s

R. Auer, D.F. Hansen, P. Neudecker, D.M. Korzhnev, D.R. Muhandiram, R. Konrat, L.E. Kay, "Measurement of signs of chemical shift differences between ground and excited protein states: a comparison between H(S/M)QC and R-1 rho methods," Journal of Biomolecular NMR 46 (2010) 205-216. http://dx.doi.org/10.1007/s10858-009-9394-z

V. Chevelkov, Y. Xue, D.K. Rao, J.D. Forman-Kay, N.R. Skrynnikov, "15N-(H/D)-SOLEXSY experiment for accurate measurement of amide solvent exchange rates: application to denatured drkN SH3," Journal of Biomolecular NMR 46 (2010) 227-244. http://dx.doi.org/10.1007/s10858-010-9398-8

A.A. Ogunjimi, S. Wiesner, D.J. Briant, X. Varelas, F. Sicheri, J. Forman-Kay, J.L. Wrana, "The Ubiquitin Binding Region of the Smurf HECT Domain Facilitates Polyubiquitylation and Binding of Ubiquitylated Substrates," Journal of Biological Chemistry 285 (2010) 6308-6315. http://dx.doi.org/10.1074/jbc.M109.044537

L.C. Cerchietti, A.F. Ghetu, X. Zhu, G.F. Da Silva, S. Zhong, M. Matthews, K.L. Bunting, J.M. Polo, C. Farès, C.H. Arrowsmith, S.N. Yang, M. Garcia, A. Coop, A.D. MacKerell, G.G. Privé, A. Melnick, "A Small-Molecule Inhibitor of BCL6 Kills DLBCL Cells In Vitro and In Vivo," Cancer Cell 17 (2010) 400-411. http://dx.doi.org/10.1016/j.ccr.2009.12.050

N. Ishiyama, S.-H. Lee, S.Liu, G.-Y. Li, M.J. Smith, L.F. Reichardt, M. Ikura, "Dynamic and Static Interactions between p120 Catenin and E-Cadherin Regulate the Stability of Cell-Cell Adhesion," Cell 141 (2010) 117-128. http://dx.doi.org/10.1016/j.cell.2010.01.017

T.L. Religa, R. Sprangers, L.E. Kay, "Dynamic Regulation of Archaeal Proteasome Gate Opening As Studied by TROSY NMR," Science 328 (2010) 98-102. http://dx.doi.org/10.1126/science.1184991

S.A.E. Brown, J.R. McKelvie, A.J. Simpson, M.J. Simpson, "1H NMR metabolomics of earthworm exposure to sub-lethal concentrations of phenanthrene in soil," Environmental Pollution 158 (2010) 2117-2123. http://dx.doi.org/10.1016/j.envpol.2010.02.023

J.R. McKelvie, D.M. Wolfe, M. Celejewski, A.J. Simpson, M.J. Simpson, "Correlations of Eisenia fetida metabolic responses to extractable phenanthrene concentrations through time," Environmental Pollution 158 (2010) 2150-2157. http://dx.doi.org/10.1016/j.envpol.2010.02.022

M.J. Smith, W.R. Hardy, G.Y. Li, M. Goudreault, S. Hersch, P. Metalnikov, A. Starostine, T. Pawson, M. Ikura, "The PTB domain of ShcA couples receptor activation to the cytoskeletal regulator IQGAP1," EMBO J. 29 (2010) 884-896. http://dx.doi.org/10.1038/emboj.2009.399

G.M. Gasmi-Seabrook, C.B. Marshall, M. Cheung, B. Kim, F. Wang, Y.J. Jang, T.W. Mak, V. Stambolic, M. Ikura, "A real-time NMR study of guanine nucleotide exchange and activation of RhoA by PDZ-RHOGEF," J. Biol. Chem. 285 (2010) 5137-5145. http://dx.doi.org/10.1074/jbc.M109.064691

M.T. Mazhab-Jafari, C.B. Marshall, M. Smith, G.M. Gasmi-Seabrook, V. Stambolic, R. Rottapel, B.G. Neel, M. Ikura, "Real-time NMR study of three small GTPases reveals that fluorescent 2'(3')-O-(N-Methylanthraniloyl)-tagged nucleotides alter hydrolysis and exchange kinetics," J. Biol. Chem. 285 (2010) 5132-5136. http://dx.doi.org/10.1074/jbc.C109.064766

A.M. Ruschak and L.E. Kay, "Methyl groups as probes of supra-molecular structure, dynamics and function," Journal of Biomolecular NMR 46 (2010) 75-87. http://dx.doi.org/10.1007/s10858-009-9376-1

J.R. McKelvie, M. Elsner, A.J. Simpson, B. Sherwood Lollarand and M.J. Simpson, "Quantitative Site-Specific 2H NMR Investigation of MTBE: Potential for Assessing Contaminant Sources and Fate," Environ. Sci. Technol. 44 (2010) 1062–1068. http://dx.doi.org/10.1021/es9030276

D.F. Hansen, P. Neudecker, P. Vallurupalli, F.A.A. Mulder and L.E. Kay, "Determination of Leu Side-Chain Conformations in Excited Protein States by NMR Relaxation Dispersion," J. Am. Chem. Soc. 132 (2010) 42–43. http://dx.doi.org/10.1021/ja909294n

X. Feng, A.J. Simpson, W.H. Schlesinger, M.J. Simpson, "Altered microbial community structure and organic matter composition under elevated CO2 and N fertilization in the duke forest," Global Change Biology 16 (2010) 2104-2116. http://dx.doi.org/10.1111/j.1365-2486.2009.02080.x

Y. Xu, A.J. Simpson, N. Eyles, M.J. Simpson, "Sources and molecular composition of cryoconite organic matter from the Athabasca Glacier, Canadian Rocky Mountains," Organic Geochemistry 41 (2010) 177-186. http://dx.doi.org/10.1016/j.orggeochem.2009.10.010

R. Soong, M.-P. Nieh, E. Nicholson, J. Katsaras and P.M. Macdonald, "Bicellar Mixtures Containing Pluronic F68: Morphology and Lateral Diffusion from Combined SANS and PFG NMR Studies," Langmuir 26 (2010) 2630-2638. http://dx.doi.org/10.1021/la902795h

N. MacKinnon, G. Guerin, B. Liu, C.C. Gradinaru, J.L. Rubinstein and P.M. Macdonald, "Triggered Instability of Liposomes Bound to Hydrophobically Modified Core-Shell PNIPAM Hydrogel Beads," Langmuir 26 (2010) 1081-1089. http://dx.doi.org/10.1021/la902423v