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2012
R.J. Evans, C.A. Fyfe, L.A. Groat, and A.E. Lam, "MAS NMR measurements and ab initio calculations of the 29Si chemical shifts in dumortierite and holtite," American Mineralogist 97 (2012) 329-340. http://dx.doi.org/10.2138/am.2012.3880
G. Wang, M. Elliott, A.L. Cogen, E.L. Ezell, R.L. Gallo, and R.E.W. Hancock, "Structure, Dynamics, Antimicrobial and Immune Modulatory Activities of Human LL-23 and Its Single Residue Variants Mutated based on Homologous Primate Cathelicidins," Biochemistry 51 (2012) 653–664. http://dx.doi.org/10.1021/bi2016266
2011
E.E. Burnell, A.C.J. Weber, C.A. de Lange, W.L. Meerts, and R.Y. Dong, "Nuclear magnetic resonance study of alkane conformational statistics," J. Chem. Phys. 135 (2011) 234506. http://dx.doi.org/10.1063/1.3665139
L.P. McIntosh, D. Naito, S.J. Baturin, M. Okon, M.D. Joshi, J.E. Nielsen, "Dissecting electrostatic interactions in Bacillus circulans xylanase through NMR-monitored pH titrations," Journal of Biomolecular NMR 51 (2011) 5-19. http://dx.doi.org/10.1007/s10858-011-9537-x
S.J. Baturin, M. Okon, L.P. McIntosh, "Structure, dynamics, and ionization equilibria of the tyrosine residues in Bacillus circulans xylanase," Journal of Biomolecular NMR 51 (2011) 379-394. http://dx.doi.org/10.1007/s10858-011-9564-7
T. Wu, H. Mayaffre, S. Krämer, M. Horvatic, C. Berthier, W.N. Hardy, R. Liang, D.A. Bonn and M.-H. Julien, "Magnetic-field-induced charge-stripe order in the high-temperature superconductor YBa2Cu3Oy," Nature 477 (2011) 191–194. http://dx.doi.org/10.1038/nature10345
E.E. Burnell, R.Y. Dong, A.C.J. Weber, X. Yang, A.Yethiraj, "Separation of nematic and smectic-A potential effects on solute ordering in a series of binary 6OCB–8OCB mixtures," Canadian Journal of Chemistry 89 (2011) 900-908. (Special Issue) http://dx.doi.org/10.1139/v11-027
C.A. Fyfe, R.J. Darton, H. Mowatt, Z.S. Lin, "Efficient, low-cost, minimal reagent syntheses of high silica zeolites using extremely dense gels below 100oC," Microporous and Mesoporous Materials 144 (2011) 57-66. http://dx.doi.org/10.1016/j.micromeso.2011.02.020
S.J. Takayama, G. Ukpabi, M.E.P. Murphy, A.G. Mauk, "Electronic properties of the highly ruffled heme bound to the heme degrading enzyme IsdI," Proc. Natl. Acad. Sci. USA 108 (2011) 13071-13076. http://dx.doi.org/10.1073/pnas.1101459108
A.
Marini, R.Y. Dong, "Density-functional-theory investigation of conformations,
13C shielding, and magnetic field interactions in a V-shaped phenylene bis
carboxylate homologous series," Physical Review E 83 (2011)
041712. http://dx.doi.org/10.1103/PhysRevE.83.041712
J. Zhang, T.-C. Wei, and R. Laflamme, "Experimental Quantum Simulation of Entanglement in Many-Body Systems," Physical Reveiw Letters 107 (2011) 010501. http://dx.doi.org/10.1103/PhysRevLett.107.010501
A. Marini, M.Geppi, V. Prasad, R.Y. Dong, "NMR Study of a Phasmid-like Liquid Crystal," Chemical Physics Letters 507 (2011) 96-99. http://dx.doi.org/10.1016/j.cplett.2011.03.072
A.C.J. Weber, E.E. Burnell, "Conformational Statistics of n-Butane in the Condensed Phase and the Effects of Temperature," Chemical Physics Letters 506 (2011) 196-200. http://dx.doi.org/10.1016/j.cplett.2011.03.025
E. Escobar-Cabrera, M. Okon, D.K.W. Lau, C.F. Dart, A.M.J.J. Bonvin and L.P. McIntosh, "Characterizing the N- and C-terminal Small Ubiquitin-like Modifier (SUMO)-interacting Motifs of the Scaffold Protein DAXX," Journal of Biological Chemistry 286 (2011) 19816-19829. http://dx.doi.org/10.1074/jbc.M111.231647
H. Webb, B.M. Tynan-Connolly, G.M. Lee, D. Farrell, F. O’Meara, C.R. Søndergaard, K. Teilum, C. Hewage, L.P. McIntosh, and J.E. Nielsen, "Remeasuring HEWL pKa values by NMR spectroscopy: Methods, analysis, accuracy, and implications for theoretical pKa calculations," Proteins 79 (2011) 685–702. http://dx.doi.org/10.1002/prot.22886
K.H. Kim, H.-S. Kang, M. Okon, E. Escobar-Cabrera, L.P. McIntosh, M. Paetzel, "Structural characterization of Escherichia coli BamE, a lipoprotein component of the beta-barrel assembly machinery complex," Biochemistry 50 (2011) 1081-1090. http://dx.doi.org/10.1021/bi101659u
S.K. Straus, W.R.P. Scott, C.D. Schwieters, D.A. Marvin, "Consensus structure of Pf1 filamentous bacteriophage from X-ray fibre diffraction and solid-state NMR," European Biophysics Journal 40 (2011) 221-234. http://dx.doi.org/10.1007/s00249-010-0640-9
J.T.J. Cheng, J.D. Hale, M. Elliott, R.E.W. Hancock, S.K. Straus, "The Importance of Bacterial Membrane Composition in the Structure and Function of Aurein 2.2 and selected Variants," BBA - Biomembranes 1808 (2011) 622-633. http://dx.doi.org/10.1016/j.bbamem.2010.11.025
2010
A.C.J. Weber, X. Yang, R.Y. Dong, E.E. Burnell, "The smectic effect on solute order parameters rationalized by double Maier-Saupe Kobayashi-McMillan theory," Journal of Chemical Physics 132 (2010) 034503. http://dx.doi.org/10.1063/1.3291486
R.Y. Dong "Recent developments in biaxial liquid crystals: An NMR Perspective," International Journal of Modern Physics B 24 (2010) 4641-4682. (Review) http://dx.doi.org/10.1142/S0217979210056487
E. Escobar-Cabrera, D.K.W. Lau, S. Giovinazzi, A.M. Ishov, L.P. McIntosh, "Structural Characterization of the DAXX N-Terminal Helical Bundle Domain and Its Complex with Rassf1C," Structure 18 (2010) 1642–1653. (Cover Article) http://dx.doi.org/10.1016/j.str.2010.09.016
J.L. Figueirinhas, G. Feio, C. Cruz, M. Lehmann, C. Kohn, R.Y. Dong, "Nuclear magnetic resonance spectroscopic investigations of phase biaxiality in the nematic glass of a shape-persistent V-shaped mesogen," Journal of Chemical Physics 133 (2010) 174509. http://dx.doi.org/10.1063/1.3496491
C.A. Michal, "Defeating Radiation Damping and Magnetic Field Inhomogeneity with Spatially Encoded Noise," Chem.Phys.Chem. 11 (2010) 3447-3455. http://dx.doi.org/10.1002/cphc.201000527
H.G. Yoon, S.W. Kang, R.Y. Dong, A. Marini, K.A. Suresh, M. Srinivasarao, S. Kumar, "Nematic biaxiality in a bent-core material," Physical Reivew E 81 (2010) 051706. http://dx.doi.org/10.1103/PhysRevE.81.051706
J.T.J. Cheng, J.D. Hale, J. Kindrachuk, H. Jessen, M. Elliott, R.E.W. Hancock, S.K. Straus, "Importance of Residue 13 and the C-Terminus for the Structure and Activity of the Antimicrobial Peptide Aurein 2.2," Biophysical Journal 99 (2010) 2926-2935. http://dx.doi.org/10.1016/j.bpj.2010.08.077
M. Wieczorek, H. Jenssen, J. Kindrachuk, W.R.P. Scott, M. Elliott, K. Hilpert, J.T.J. Cheng, R.E.W. Hancock and S.K. Straus, "Structural Studies of a Peptide with Immune Modulating and Direct Antimicrobial Activity," Chemistry & Biology 17 (2010) 970-980. http://dx.doi.org/10.1016/j.chembiol.2010.07.007
C.A. Michal "A low-cost spectrometer for NMR measurements in the Earth’s magnetic field," Meas. Sci. Technol. 21 (2010) 105902. http://dx.doi.org/10.1088/0957-0233/21/10/105902
M.
Lehmann, C. Köhn, J.L. Figueirinhas, G. Feio, C. Cruz, R.Y. Dong, "Biaxial
Nematic Mesophases from Shape-Persistent Mesogens with a Fluorenone Bending
Unit," Chemistry - A European Journal
16 (2010) 8275-8279. http://dx.doi.org/10.1002/chem.201001214
M.L. Nelson, H.S. Kang, G.M. Lee, A.G. Blaszczak, D.K.W. Lau, L.P. McIntosh, B.J. Graves, "Ras signaling requires dynamic properties of Ets1 for phosphorylation-enhanced binding to coactivator CBP," Proc. Natl. Acad. Sci. U.S.A. 107 (2010) 10026-10031. http://dx.doi.org/10.1073/pnas.0915137107
G. Wang, B. Marler, H. Gies, C.A. Fyfe, P. Sidhu, B. Yilmaz and U. Müller, "Synthesis, characterization and structure analysis of UZM-22, a MEI-type zeolite framework structure" Microporous and Mesoporous Materials 132 (2010) 43–53. http://dx.doi.org/10.1016/j.micromeso.2009.08.021
J. Pan, W. Hamad and S.K. Straus, "Parameters Affecting the Chiral Nematic Phase of Nanocrystalline Cellulose Films," Macromolecules 43 (2010) 3851-3858. http://dx.doi.org/10.1021/ma902383k
D. Farrell, E.S. Miranda, H. Webb, N. Georgi, P. B. Crowley, L.P. McIntosh, J.E. Nielsen, "Titration_DB: Storage and analysis of NMR-monitored protein pH titration curves," Proteins-Structure Function and Bioinformatics 78 (2010) 843-857. http://dx.doi.org/10.1002/prot.22611
J. Pan, C.B. Lai, W.R.P. Scott, S.K. Straus, "Synthetic Fusion Peptides of Tick-Borne Encephalitis Virus as Models for Membrane Fusion," Biochemistry 49 (2010) 287-296. http://dx.doi.org/10.1021/bi9017895
P.D. Frischmann, G.A. Facey, P.Y. Ghi, A.J. Gallant, D.L. Bryce, F. Lelj and M.J. MacLachlan, "Capsule Formation, Carboxylate Exchange, and DFT Exploration of Cadmium Cluster Metallocavitands: Highly Dynamic Supramolecules," J. Am. Chem. Soc. 132 (2010) 3893–3908. http://dx.doi.org/10.1021/ja910419h
S.R. Reitinger, Y. Yu, J. Wicki, M. Ludwiczek, I. D'Angelo, S. Baturin, M. Okon, N.C.J. Strynadka, S. Lutz, S.G. Withers and L.P. McIntosh, "Circular Permutation of Bacillus circulans Xylanase: A Kinetic and Structural Study," Biochemistry 49 (2010) 2464–2474. http://dx.doi.org/10.1021/bi100036f
J.K.-H. Hui, P.D. Frischmann, C.-H. Tso, C.A. Michal, M.J. MacLachlan, "Spontaneous Hierarchical Assembly of Crown Ether-like Macrocycles into Nanofibers and Microfibers Induced by Alkali-Metal and Ammonium Salts," Chemistry - A European Journal 16 (2010) 2453-2460. http://dx.doi.org/10.1002/chem.200902712
 |
P.T. Eles, C.A. Michal, "Two-Photon Excitation in Nuclear Magnetic and Quadrupole Resonance," Progress in Nuclear Magnetic Resonance Spectroscopy 56 (2010) 232-246. (Invited Review) http://dx.doi.org/10.1016/j.pnmrs.2009.12.002 |
2009
 |
Nuclear
Magnetic Resonance Spectroscopy of Liquid Crystals |
P.H.W. Chan, L.L. Lairson, H.J. Lee, W.W. Wakarchuk, N.C.J. Strynadka, S.G. Withers and L.P. McIntosh, "NMR Spectroscopic Characterization of the Sialyltransferase CstII from Camplyobacter jejuni: Histidine 188 is the General Base," Biochemistry 48 (2009) 11220–11230. http://dx.doi.org/10.1021/bi901606n
U. Al-Atar, A.R. Lewis, J.M.H. Teichman, B.H. Chew, B.D. Gates and N.R. Branda, "Selective Water Uptake in Calcium Oxalate Monohydrate Kidney Stones," Chem. Mater. 21 (2009) 5016-5021. http://dx.doi.org/10.1021/cm901205q
R.Y. Dong and A. Marini, "Conformational Study of a Bent-Core Liquid Crystal: 13C NMR and DFT Computation Approach," J. Phys. Chem. C 113 (2009) 14062-14072. http://dx.doi.org/10.1021/jp904405n
M.H.C. Lam, M.A. Homenuke, C.A. Michal and C.L. Hansen, "Sub-nanoliter nuclear magnetic resonance coils fabricated with multilayer soft lithography," J. Micromech. Microeng. 19 (2009) 095001. http://dx.doi.org/10.1088/0960-1317/19/9/095001
A.C.J. Weber, X. Yang, R.Y. Dong, W.L. Meerts, E.E. Burnell, "Solute order parameters in liquid crystals from NMR spectra solved with evolutionary algorithms: Application of double Maier-Saupe Kobayashi-McMillan theory," Chemical Physics Letters 476 (2009) 116-119. http://dx.doi.org/10.1016/j.cplett.2009.06.002
X. Li, P.T. Eles, C.A. Michal, "Water Permeability of Spider Dragline Silk," Biomacromolecules 10 (2009) 1270-1275. http://dx.doi.org/10.1021/bm900103n
J.T.J. Cheng, J.D. Hale, M. Elliot, R.E.W. Hancock and S.K. Straus, "Effect of Membrane Composition on Antimicrobial Peptides Aurein 2.2 and 2.3 From Australian Southern Bell Frogs," Biophysical Journal 96 (2009) 552-565. http://dx.doi.org/10.1016/j.bpj.2008.10.012
R.Y. Dong , "A Comparative 13C NMR Study of Local Ordering in a Homologous Series of Bent-core Liquid Crystals," J. Phys. Chem. B 113 (2009) 1933-1939. http://dx.doi.org/10.1021/jp8096692
L.P. McIntosh, H.-S. Kang, M. Okon, M.L. Nelson, B.J. Graves and B. Brutscher, "Detection and assignment of phosphoserine and phosphothreonine residues by 13C–31P spin-echo difference NMR spectroscopy," Journal of Biomolecular NMR 43 (2009) 31-37. http://dx.doi.org/10.1007/s10858-008-9287-6
2008
G.M. Lee, M.A. Pufall, C.A. Meeker, H.S. Kang, B.J. Graves, L.P. McIntosh, "The affinity of Ets-1 for DNA is modulated by phosphorylation through transient interactions of an unstructured region," Journal of Molecular Biology 382 (2008) 1014-1030. http://dx.doi.org/10.1016/j.jmb.2008.07.064
H.S. Kang, M.L. Nelson, C.D. Mackereth, M. Scharpf, B.J. Graves, L.P. McIntosh, "Identification and structural characterization of a CBP/p300-binding domain from the ETS family transcription factor GABP alpha," Journal of Molecular Biology 377 (2008) 636-646. http://dx.doi.org/10.1016/j.jmb.2008.01.054
C.R.
Sondergaard, L.P. McIntosh, G. Pollastri, J.E. Nielsen, "Determination
of electrostatic interaction energies and protonation state populations in
enzyme active sites," Journal of Molecular Biology 376
(2008) 269-287. http://dx.doi.org/10.1016/j.jmb.2007.09.070
R.Y.
Dong, "NMR Study of Diffusive Processes in Novel Liquid Crystalline
Phases," Thin Solid Films 517 (2008) 1367-1379. http://dx.doi.org/10.1016/j.tsf.2008.09.043
M. Okon, T.F. Moraes, P.I. Lario, A.L. Creagh, C.A. Haynes, N.C.J. Strynadka, L.P. McIntosh, "Structural Characterization of the Type-III Pilot-Secretin Complex from Shigella flexneri," Structure 16 (2008) 1544-1554. http://dx.doi.org/10.1016/j.str.2008.08.006
S.K. Straus, W.R.P. Scott, D.A. Marvin, "The hand of the filamentous bacteriophage helix", European Biophysics Journal with Biophysics Letters 37 (2008) 1077-1082. http://dx.doi.org/10.1007/s00249-008-0327-7
P. Lesot, O. Lafon, C. Aroulanda, R. Y. Dong, "2H NMR studies on two-homopolypeptide lyotropic enantiodiscriminating mesophases: Experimental quantification of solute-fiber affinities", Chemistry-A European Journal 14 (2008) 4082-4092. http://dx.doi.org/10.1002/chem.200701543
D. Jung, J.P. Powers, S.K. Straus, R.E.W. Hancock, "Lipid-specific binding of the calcium-dependent antibiotic daptomycin leads to changes in lipid polymorphism of model membranes," Chemistry and Physics of Lipids 154 (2008) 120-128. http://dx.doi.org/10.1016/j.chemphyslip.2008.04.004
V. Domenici, C.A. Veracini, V. Novotná, R.Y. Dong, "Twist grain boundary liquid-crystalline phases under the effect of the magnetic field: A complete 2H and 13C NMR study," Chem Phys Chem 9 (2008) 556-566. http://dx.doi.org/10.1002/cphc.200700647
S.K.
Straus, W.R.P. Scott, M.F. Symmons and D.A. Marvin, "On the structures
of filamentous bacteriophage Ff (fd, f1, M13)," European Biophysics
Journal 37 (2008) 521-527.
http://dx.doi.org/10.1007/s00249-007-0222-7
S.W.
Ho, D. Jung, J.R. Calhoun, J.D. Lear, M. Okon, W.R.P. Scott, R.E.W. Hancock
and S.K. Straus, "Effect of divalent cations on the structure of
the antibiotic daptomycin," European Biophysics Journal 37
(2008) 421-433. http://dx.doi.org/10.1007/s00249-007-0227-2
C.A. Michal, S.P. Hastings, and L. Hang Lee, "Two-photon Lee-Goldburg nuclear magnetic resonance: Simultaneous homonuclear decoupling and signal acquisition," J. Chem. Phys. 128 (2008) 052301. http://dx.doi.org/10.1063/1.2825593
C.A. Fyfe and J.S.J. Lee, "Solid-State NMR Determination of the Zeolite ZSM-5/ortho-Xylene Host-Guest Crystal Structure," Journal of Physical Chemistry C 112 (2008) 500-513. http://dx.doi.org/10.1021/jp074816z
C.A.
Fyfe, R.J. Darton, C. Schneider, F. Scheffler, "Solid-State NMR Investigation
of the Possible Existence of "Nanoblocks" in the Clear Solution
Synthesis of MFI Materials" Journal of Physical Chemistry C 112
(2008) 80-88. http://dx.doi.org/10.1021/jp7095955
2007
V. Domenici, A. Marini, C.A. Veracini, J. Zhang, R.Y. Dong, "Effect of the Magnetic Field on the Supramolecular Structure of Chiral Smectic C Phases: 2H NMR Studies", ChemPhysChem 8 (2007) 2575-2587. http://dx.doi.org/10.1002/cphc.200700307
R.Y. Dong, M. Geppi, A. Marini, V. Hamplova, M. Kaspar, C.A. Veracini, J. Zhang, "Orientational order of a liquid crystal with three chiral centers by a combined 13C NMR and DFT approach," Journal of Physical Chemistry B 111 (2007) 9787-9794. http://dx.doi.org/10.1021/jp0730693
R.Susilo, J.A. Ripmeester and P. Englezos, "Characterization of Gas Hydrates with PXRD, DSC, NMR, and Raman Spectroscopy," Chemical Engineering Science 62 (2007) 3930-3939. http://dx.doi.org/10.1016/j.ces.2007.03.045
J. Zhang, V. Domenici and R.Y. Dong, "13C NMR Study Of Orientational Ordering In Smectic A Phase Of Chiral Liquid Crystals" Chemical Physics Letters 441 (2007) 237-244. http://dx.doi.org/10.1016/j.cplett.2007.05.032
A.S.
Abd El Aziz, N.M Pereira, D.J. Winram, P. Sidhu, S. Kroeker, "Synthesis
and polymerization of a four-arm star with pendent cyclopentadienyliron moieties"
Journal Of Inorganic And Organometallic Polymers And Materials 17
(2007) 275-282.
http://dx.doi.org/10.1007/s10904-007-9097-4
Y.L
Pan, J.T.L. Cheng, J. Hale, J.H. Pan, R.E.W. Hancock, S.K. Straus, "Characterization
of the structure and membrane interaction of the antimicrobial peptides aurein
2.2 and 2.3 from Australian southern bell frogs" Biophysical Journal
92 (2007) 2854-2864.
http://www.biophysj.org/cgi/content/abstract/biophysj.106.097238v1
2006
C.A.
Fyfe and D.H. Brouwer, "Optimization,
Standardization, and Testing of a New NMR Method for the Determination of
Zeolite Host-Organic Guest Crystal Structures, " Journal
of the American Chemical Society 128 (2006) 11860-11871.
http://dx.doi.org/10.1021/ja060744y
C.A. Fyfe, D.H. Brouwer, "Determination of the location of naphthalene in the zeolite ZSM-5 host framework by solid-state 1H/29Si CP MAS NMR spectroscopy," Canadian Journal of Chemistry 84 (2006) 345-355.
D.H. Brouwer, J.M. Chezeau, C.A. Fyfe, "Solid state NMR investigation of the structure of AlPO4-14A," Microporous and Mesoporous Materials 88 (2006) 163-169. http://dx.doi.org/10.1016/j.micromeso.2005.08.035
J.D.
Mao, K.M. Holtman, J.T. Scott, J.F. Kadla, K. Schmidt-Rohr, "Differences
between lignin in unprocessed wood, milled wood, mutant wood, and extracted
lignin detected by 13C solid-state NMR," Journal of Agricultural and
Food Chemistry 54 (2006) 9677-9686.
http://dx.doi.org/10.1021/jf062199q
D.A.
Marvin, L.C. Welsh, M.F. Symmons, W.R.P. Scott, S.K. Straus, "Molecular
structure of fd (f1, M13) filamentous bacteriophage refined with respect to
X-ray fibre diffraction and solid-state NMR data supports specific models
of phage assembly at the bacterial membrane.", Journal of Molecular
Biology 355 (2006) 294-309. http://dx.doi.org/10.1016/j.jmb.2005.10.048