Tuesday, February 12, 2008


The Journal of Chemical Physics -- 7 February 2008

This edition of JCP features an excellent selection of "overview" articles on a variety of topics in NMR. Please have a close look. A list of authors and titles is presented below:


Introduction to Special Topic: New Developments in Magnetic Resonance
Robert Tycko
J. Chem. Phys. 128, 052101 (2008) (2 pages)

Ab initio calculations of NMR chemical shifts
Leah B. Casabianca and Angel C. de Dios
J. Chem. Phys. 128, 052201 (2008) (10 pages)

High-resolution liquid- and solid-state nuclear magnetic resonance of nanoliter sample volumes using microcoil detectors
A. P. M. Kentgens, J. Bart, P. J. M. van Bentum, A. Brinkmann, E. R. H. van Eck, J. G. E. Gardeniers, J. W. G. Janssen, P. Knijn, S. Vasa, and M. H. W. Verkuijlen
J. Chem. Phys. 128, 052202 (2008) (17 pages)

Optically pumped nuclear magnetic resonance of semiconductors
Sophia E. Hayes, Stacy Mui, and Kannan Ramaswamy
J. Chem. Phys. 128, 052203 (2008) (16 pages)

Conformational distributions of unfolded polypeptides from novel NMR techniques
Sebastian Meier, Martin Blackledge, and Stephan Grzesiek
J. Chem. Phys. 128, 052204 (2008) (14 pages)

Symmetry in the design of NMR multiple-pulse sequences
Malcolm H. Levitt
J. Chem. Phys. 128, 052205 (2008) (25 pages)

Spins as qubits: Quantum information processing by nuclear magnetic resonance
Dieter Suter and T. S. Mahesh
J. Chem. Phys. 128, 052206 (2008) (14 pages)

Multidimensional solid state NMR of anisotropic interactions in peptides and proteins
Benjamin J. Wylie and Chad M. Rienstra
J. Chem. Phys. 128, 052207 (2008) (16 pages)

Advances in mechanical detection of magnetic resonance
Seppe Kuehn, Steven A. Hickman, and John A. Marohn
J. Chem. Phys. 128, 052208 (2008) (19 pages)

Spatial encoding strategies for ultrafast multidimensional nuclear magnetic resonance
Yoav Shrot and Lucio Frydman
J. Chem. Phys. 128, 052209 (2008) (14 pages)

Progress in 13C and 1H solid-state nuclear magnetic resonance for paramagnetic systems under very fast magic angle spinning
Nalinda P. Wickramasinghe, Medhat A. Shaibat, Christopher R. Jones, Leah B. Casabianca, Angel C. de Dios, John S. Harwood, and Yoshitaka Ishii
J. Chem. Phys. 128, 052210 (2008) (15 pages)

Dynamic nuclear polarization at high magnetic fields
Thorsten Maly, Galia T. Debelouchina, Vikram S. Bajaj, Kan-Nian Hu, Chan-Gyu Joo, Melody L. Mak–Jurkauskas, Jagadishwar R. Sirigiri, Patrick C. A. van der Wel, Judith Herzfeld, Richard J. Temkin, and Robert G. Griffin
J. Chem. Phys. 128, 052211 (2008) (19 pages)

Magnetic resonance in porous media: Recent progress
Yi-Qiao Song, H. Cho, Tim Hopper, Andrew E. Pomerantz, and Phillip Zhe Sun
J. Chem. Phys. 128, 052212 (2008) (12 pages)


Special Topic: New Developments in Magnetic Resonance

Two-photon Lee-Goldburg nuclear magnetic resonance: Simultaneous homonuclear decoupling and signal acquisition
Carl A. Michal, Simon P. Hastings, and Lik Hang Lee
J. Chem. Phys. 128, 052301 (2008) (8 pages)

High-frequency dynamic nuclear polarization using biradicals: A multifrequency EPR lineshape analysis
Kan-Nian Hu, Changsik Song, Hsiao-hua Yu, Timothy M. Swager, and Robert G. Griffin
J. Chem. Phys. 128, 052302 (2008) (17 pages)

Physical insights from a penetration depth model of optically pumped NMR
Stacy Mui, Kannan Ramaswamy, and Sophia E. Hayes
J. Chem. Phys. 128, 052303 (2008) (7 pages)

Observable effects of mechanical stress induced by sample spinning in solid state nuclear magnetic resonance
M. Jochum, U. Werner-Zwanziger, and J. W. Zwanziger
J. Chem. Phys. 128, 052304 (2008) (7 pages)

Entangled electron and nuclear spin states in 15N@C60: Density matrix tomography
Werner Scherer and Michael Mehring
J. Chem. Phys. 128, 052305 (2008) (11 pages)

Electron paramagnetic resonance investigation of metalloendofullerene derived carbon nanotube peapods
P. Jakes, A. Gembus, K.-P. Dinse, and K. Hata
J. Chem. Phys. 128, 052306 (2008) (5 pages)

NMR study of liquid to solid transition in a glass forming metallic system
Lilong Li and Yue Wu
J. Chem. Phys. 128, 052307 (2008) (4 pages)

Two-dimensional homonuclear chemical shift correlation established by the cross-relaxation driven spin diffusion in solids
Jiadi Xu, Jochem Struppe, and Ayyalusamy Ramamoorthy
J. Chem. Phys. 128, 052308 (2008) (11 pages)

Supercycled homonuclear dipolar decoupling in solid-state NMR: Toward cleaner 1H spectrum and higher spinning rates
Michal Leskes, P. K. Madhu, and Shimon Vega
J. Chem. Phys. 128, 052309 (2008) (11 pages)

High field 207Pb spin-lattice relaxation in solid lead nitrate and lead molybdate
Peter J. de Castro, Christopher A. Maher, Robert L. Vold, and Gina L. Hoatson
J. Chem. Phys. 128, 052310 (2008) (6 pages)

Spatially resolved 195Pt NMR of carbon-supported PtRu electrocatalysts: Local electronic properties, elemental composition, and catalytic activity
Bingchen Du, Aaron L. Danberry, In-Su Park, Yung-Eun Sung, and YuYe Tong
J. Chem. Phys. 128, 052311 (2008) (7 pages)

Shiftless nuclear magnetic resonance spectroscopy
Chin H. Wu and Stanley J. Opella
J. Chem. Phys. 128, 052312 (2008) (5 pages)

Non-negative matrix factorization of two-dimensional NMR spectra: Application to complex mixture analysis
David A. Snyder, Fengli Zhang, Steven L. Robinette, Lei Bruschweiler-Li, and Rafael Brüschweiler
J. Chem. Phys. 128, 052313 (2008) (4 pages)

Determination of methyl 13C–15N dipolar couplings in peptides and proteins by three-dimensional and four-dimensional magic-angle spinning solid-state NMR spectroscopy
Jonathan J. Helmus, Philippe S. Nadaud, Nicole Höfer, and Christopher P. Jaroniec
J. Chem. Phys. 128, 052314 (2008) (16 pages)

Comparison of different methods for calculating the paramagnetic relaxation enhancement of nuclear spins as a function of the magnetic field
Elie Belorizky, Pascal H. Fries, Lothar Helm, Jozef Kowalewski, Danuta Kruk, Robert R. Sharp, and Per-Olof Westlund
J. Chem. Phys. 128, 052315 (2008) (17 pages)

Measurement of 15N-T1 relaxation rates in a perdeuterated protein by magic angle spinning solid-state nuclear magnetic resonance spectroscopy
Veniamin Chevelkov, Anne Diehl, and Bernd Reif
J. Chem. Phys. 128, 052316 (2008) (5 pages)

51V solid-state NMR and density functional theory studies of vanadium environments in V(V)O2 dipicolinic acid complexes
Stephanie E. Bolte, Kristopher J. Ooms, Tatyana Polenova, Bharat Baruah, Debbie C. Crans, and Jason J. Smee
J. Chem. Phys. 128, 052317 (2008) (11 pages)

Solid-state nuclear magnetic resonance in the rotating tilted frame
Nicole M. Trease and Philip J. Grandinetti
J. Chem. Phys. 128, 052318 (2008) (12 pages)

13C–13C and 15N–13C correlation spectroscopy of membrane-associated and uniformly labeled human immunodeficiency virus and influenza fusion peptides: Amino acid-type assignments and evidence for multiple conformations
Michele L. Bodner, Charles M. Gabrys, Jochem O. Struppe, and David P. Weliky
J. Chem. Phys. 128, 052319 (2008) (11 pages)

A triple resonance hyperfine sublevel correlation experiment for assignment of electron-nuclear double resonance lines
Alexey Potapov, Boris Epel, and Daniella Goldfarb
J. Chem. Phys. 128, 052320 (2008) (10 pages)

Radio frequency-driven recoupling at high magic-angle spinning frequencies: Homonuclear recoupling sans heteronuclear decoupling
Marvin J. Bayro, Ramesh Ramachandran, Marc A. Caporini, Matthew T. Eddy, and Robert G. Griffin
J. Chem. Phys. 128, 052321 (2008) (11 pages)

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