@article {255, title = {Comrehensive sampling with prior information in remotely detected MRI of microfluidic devices}, journal = {Journal of Magnetic Resonance}, year = {2011}, pages = {13-20}, author = {Teisseyre, T. and Paulsen, J.L. and Bajaj, V.S. and Halpern-Manners, N. and Pines, A.} } @article {352, title = {Creating isotropic dipolar spectra for a pair of dipole coupled spins in high-field}, journal = {Chemical Physics Letters}, volume = {363}, year = {2002}, note = {Chem Phys Lett595CVTimes Cited:3Cited References Count:20}, month = {Sep 9}, pages = {372-380}, abstract = {

In the absence of a strong magnetic field, the dipolar interaction between two nuclear spins is independent of orientation leading to sharp lines. However, in high magnetic fields the Zeeman interaction breaks the symmetry of space and spin producing an anisotropic dipolar spectra. In the following Letter, a method that yields isotropic dipolar spectra for a pair of dipole-coupled spins is presented. This is accomplished through a suitable choice of coherence pathways and average Hamiltonians. We present a theoretical explanation as well as an experimental verification for this novel methodology. (C) 2002 Elsevier Science B.V. All rights reserved.

}, keywords = {angle}, isbn = {0009-2614}, doi = {Doi 10.1016/S0009-2614(02)01188-0}, url = {://WOS:000178090000027}, author = {Walls, J. D. and Blanton, W. B. and Havlin, R. H. and Pines, A.} } @article {366, title = {Characterization of the effects of nonspecific xenon-protein interactions on Xe-129 chemical shifts in aqueous solution: Further development of xenon as a biomolecular probe}, journal = {Journal of Magnetic Resonance}, volume = {152}, year = {2001}, note = {J Magn Reson472QDTimes Cited:37Cited References Count:34}, month = {Sep}, pages = {79-86}, abstract = {

The sensitivity of Xe-129 chemical shifts to weak nonspecific xenon-protein interactions has suggested the use of xenon to probe biomolecular structure and interactions. The realization of this potential necessitates a further understanding of how different macromolecular properties influence the Xe-129 chemical shift in aqueous solution. Toward this goal, we have acquired Xe-129 NMR spectra of xenon dissolved in amino acid, peptide, and protein solutions under both native and denaturing conditions. In general, these cosolutes induce Xe-129 chemical shifts that are downfield relative to the shift in water, as they deshield the xenon nucleus through weak, diffusion-mediated interactions. Correlations between the extent of deshielding and molecular properties including chemical identity, structure, and charge are reported. Xenon deshielding was found to depend linearly on protein size under denaturing solution conditions; the denaturant itself has a characteristic effect on the Xe-129 chemical shift that likely results from a change in the xenon solvation shell structure. In native protein solutions, contributions to the overall Xe-129 chemical shift arise from the presence of weak xenon binding either in cavities or at the protein surface. Potential applications of xenon as a probe of biological systems including the detection of conformational changes and the possible quantification of buried surface area at protein-protein interfaces are discussed. (C) 2001 Academic Press.

}, keywords = {gas}, isbn = {1090-7807}, doi = {Doi 10.1006/Jmre.2001.2389}, url = {://WOS:000170995700009}, author = {Rubin, S. M. and Spence, M. M. and Pines, A. and Wemmer, D. E.} } @article {377, title = {ChemQuizzes for Introductory Chemistry Instruction}, year = {2000}, publisher = {Norton Publishing}, type = {CD}, address = {New York}, author = {Laws, D. and Pines, A.} } @article {417, title = {Cross-polarization efficiency in INS systems using adiabatic RF sweeps}, journal = {Journal of Chemical Physics}, volume = {107}, year = {1997}, note = {J Chem PhysYj464Times Cited:13Cited References Count:33}, month = {Dec 1}, pages = {8742-8751}, abstract = {

The theory describing nuclear magnetic resonance cross-polarization using adiabatic sweeps of the rf spin-lock fields through the Hartmann-Hahn matching condition is extended to small homonuclear coupled systems of the type INS. In particular, the connection is made between such experiments and the associated theoretical limits on polarization transfer-the \&$\#$39;\&$\#$39;unitary bounds\&$\#$39;\&$\#$39; - demonstrating that these techniques can achieve the maximum transfer of polarization from the I spins to the S spins, subject to the constraint of angular momentum conservation imposed by spin-locking, Factors such as permutation symmetry of the spins, imperfect adiabaticity of individual crossings and fast sample spinning are shown to have no fundamental impact on the validity on these results. (C) 1997 American Institute of Physics.

}, keywords = {bounds}, isbn = {0021-9606}, doi = {Doi 10.1063/1.475167}, url = {://WOS:A1997YJ46400002}, author = {Hodgkinson, P. and Pines, A.} } @article {421, title = {Cross-polarization from quadrupolar nuclei to silicon using low-radio-frequency amplitudes during magic-angle spinning}, journal = {Journal of Physical Chemistry B}, volume = {101}, year = {1997}, note = {J Phys Chem BWu630Times Cited:51Cited References Count:50}, month = {Apr 17}, pages = {3240-3249}, abstract = {

The dynamics of cross-polarization from the central transition of a quadrupolar nucleus (Al-27 or Na-23) to a spin-1/2 nucleus (Si-29) during magic-angle spinning and using low-radio-frequency Geld strengths are analyzed for the mineral low albite. Under these conditions additional complications in the spin-lock behavior of the quadrupolar nucleus and in the cross-polarization process were found experimentally and are examined in detail. A step-by-step procedure for optimizing cross-polarization from the central transition of a quadrupolar nucleus to a spin-1/2 nucleus is described. Significant enhancement of Si-29 NMR sensitivity and several applications are demonstrated.

}, keywords = {locking}, isbn = {1089-5647}, doi = {Doi 10.1021/Jp9623711}, url = {://WOS:A1997WU63000031}, author = {DePaul, S. M. and Ernst, M. and Shore, J. S. and Stebbins, J. F. and Pines, A.} } @article {449, title = {C-13 Chemical-Shift Tensor Correlation Via Spin-Diffusion in Solid Tropolone Using Switched-Angle Spinning Spectroscopy}, journal = {Journal of Chemical Physics}, volume = {103}, year = {1995}, note = {J Chem PhysTh657Times Cited:7Cited References Count:42}, month = {Dec 8}, pages = {9844-9854}, abstract = {

In switched-angle spinning spectroscopy (SAS) a sample is spun about different angles, beta, relative to the magnetic field, during various periods of the experiment. In the present work, SAS is combined with two-dimensional exchange spectroscopy in order to correlate carbon-13 chemical shift tensors of the carbonyl (1) and hydroxyl (2) carbons of tropolone. Experiments were performed on a sample enriched to 25 at. \% in each of these sites (at different molecules). At this level of enrichment the dominant exchange mechanism between the two sites involves spin diffusion, The experiment consists of a preparation period during which the sample spins at the magic angle and the magnetization of one of the sites is quenched by means of a selective pulse sequence. During the rest of the experiment the sample spins with its axis away from the magic angle except for a short period just before the detection where the axis is switched to the magic angle in order to select the magnetization to be detected. Experiments were performed for all four possible combinations of the initial and final magnetizations, thus providing chemical shift correlations between carbons 1,1\&$\#$39;,2, and 2\&$\#$39; in the two magnetically inequivalent (but symmetry related) molecules in the unit cell. Combining these results with the known crystal structure of tropolone (neglecting a small tilt between the perpendicular to the molecular plane and the crystallographic c-axis) provides information on the orientation and magnitude of the chemical shift tensors of the two types of carbons, The principal values (in ppm) are sigma(xx)(1)=65, sigma(yy)(1)=33, sigma(zz)(1)=-98, sigma(xx)(2)=77, sigma(yy)(2)=17, and sigma(zz)(2)=-94. Assuming sigma(zz) to be perpendicular to the molecular plane, the orientations of the sigma(yy) s\&$\#$39; are 12 degrees off the C-1=0 bond (toward the hydroxyl carbon) for carbon 1 and 10 degrees off the C-3=C-2 bond (away from the carbonyl carbon) for carbon 2. (C) 1995 American Institute of Physics.

}, keywords = {spectra}, isbn = {0021-9606}, doi = {Doi 10.1063/1.469951}, url = {://WOS:A1995TH65700040}, author = {Larsen, R. G. and Lee, Y. K. and He, B. and Yang, J. O. and Luz, Z. and Zimmermann, H. and Pines, A.} } @article {446, title = {Coherent Isotropic Averaging in Zero-Field Nuclear-Magnetic-Resonance .2. Cubic Sequences and Time-Reversal of Spin Couplings}, journal = {Journal of Chemical Physics}, volume = {103}, year = {1995}, note = {J Chem PhysRu109Times Cited:8Cited References Count:35}, month = {Sep 8}, pages = {3982-3997}, abstract = {

We present a special case of the theory of coherent isotropic averaging in zero-field NMR, given in part I of this work. In a zero external field, combinations of the magnetic-field pulses restricted to pi/2 rotations along the three coordinate axes can selectively average internal spin Hamiltonians while preserving the intrinsic invariance of the spectrum with respect to the sample orientation. Compared with the general case, the limits of the allowed scaling factors of first- and second-rank interactions are slightly reduced. For instance, time reversal is possible for second-rank tensors with a -1/5 scaling factor, instead of -1/4 in general. Finite pulse compensations are analyzed and experimental illustrations are given for two optimum time-reversal sequences. The cubic sequences, though less efficient than the icosahedral sequences, are technically more feasible and may be used in zero-field experiments such as decoupling (by rank or nuclear species), time reversal or multipolar experiments (the zero-field equivalent of multiple-quantum NMR). (C) 1995 American Institute of Physics.

}, keywords = {nqr}, isbn = {0021-9606}, doi = {Doi 10.1063/1.469585}, url = {://WOS:A1995RU10900012}, author = {Llor, A. and Olejniczak, Z. and Pines, A.} } @article {447, title = {Coherent Isotropic Averaging in Zero-Field Nuclear-Magnetic-Resonance .1. General-Theory and Icosahedral Sequences}, journal = {Journal of Chemical Physics}, volume = {103}, year = {1995}, note = {J Chem PhysRu109Times Cited:9Cited References Count:59}, month = {Sep 8}, pages = {3966-3981}, abstract = {

We present a general theory of coherent isotropic averaging in nuclear magnetic resonance (NMR). In a zero external field, magnetic-field pulses can selectively average the internal spin Hamiltonians, while preserving the intrinsic invariance of the spectrum with respect to the sample orientation. The theory predicts the limits of the scaling factors for tenser interactions of different ranks. Time reversal is found to be possible for first- and second-rank tensors with scaling factors of -1/3 and -1/4, respectively. Explicit sequences, based on icosahedral symmetry, are given for a number of optimal scaling factors. To illustrate the theory, an experiment is also presented in the special case of rank-selective decoupling. As in high-field NMR, applications can be expected from the introduction of coherent averaging schemes for zero-held techniques: for example, decouplings (by rank or nuclear species), time reversal, and multipolar experiments (zero-field analog of multiple-quantum NMR). (C) 1995 American Institute of Physics.

}, keywords = {couplings}, isbn = {0021-9606}, doi = {Doi 10.1063/1.469584}, url = {://WOS:A1995RU10900011}, author = {Llor, A. and Olejniczak, Z. and Pines, A.} } @article {465, title = {Cross Polarization and Dynamic-Angle Spinning of O-17 in L-Alanine}, journal = {Bulletin of Magnetic Resonance}, volume = {16}, year = {1994}, pages = {68-72}, author = {Gann, S.L. and Baltisberger, J.H. and Wooten, E.W. and Zimmerman, H. and Pines, A.} } @article {469, title = {Cross-Polarization Dynamic-Angle Spinning Nuclear-Magnetic-Resonance of Quadrupolar Nuclei}, journal = {Molecular Physics}, volume = {81}, year = {1994}, note = {Mol PhysNe628Times Cited:21Cited References Count:29}, month = {Apr 10}, pages = {1109-1124}, abstract = {

The use of variable-angle spinning (VAS) with cross-polarization (CP) for quadrupolar nuclei has been evaluated both experimentally and theoretically. It is known that under normal spinning speeds the best VAS angle for performing CP is 0-degrees (parallel to the magnetic field). We show that, with the use of dynamic-angle spinning (DAS) probes, CP may be done at 0-degrees and detection in a one-dimensional VAS experiment may be performed at any angle in a zero-polarized VAS (ZPVAS) experiment. Finally, the combination of CP with k = 5 DAS (where the sample is spun first at 0-degrees followed by 63.43-degrees) provides both the highest resolution and the greatest sensitivity under normal conditions.

}, keywords = {probe}, isbn = {0026-8976}, doi = {Doi 10.1080/00268979400100741}, url = {://WOS:A1994NE62800007}, author = {Baltisberger, J. H. and Gann, S. L. and Grandinetti, P. J. and Pines, A.} } @article {482, title = {Cross Polarization from Laser-Polarized Solid Xenon to (Co2)-C-13 by Low-Field Thermal Mixing}, journal = {Chemical Physics Letters}, volume = {205}, year = {1993}, note = {Chem Phys LettKv519Times Cited:61Cited References Count:11}, month = {Apr 9}, pages = {168-170}, abstract = {

The first observation of nuclear spin polarization enhancement in a molecular species by coupling to laser-polarized xenon is reported. The spins of (CO2)-C-13 were cooled by inclusion into the xenon solid followed by thermal mixing in magnetic fields comparable to the heteronuclear dipolar interactions. High-field NMR detection yielded enhancement factors of up to 200. Moreover, a change in the sense of the helicity of the optical pumping light results in a sign reversal of the spin temperature and hence an inversion of the C-13 NMR signal.

}, keywords = {nmr}, isbn = {0009-2614}, doi = {Doi 10.1016/0009-2614(93)89223-5}, url = {://WOS:A1993KV51900008}, author = {Bowers, C. R. and Long, H. W. and Pietrass, T. and Gaede, H. C. and Pines, A.} } @article {496, title = {Correlation of Isotropic and Anisotropic Chemical-Shifts in Solids by 2-Dimensional Variable-Angle-Spinning Nmr}, journal = {Israel Journal of Chemistry}, volume = {32}, year = {1992}, note = {Israel J ChemKt517Times Cited:29Cited References Count:19}, pages = {161-164}, abstract = {

We describe a new solid-state nuclear magnetic resonance (NMR) technique for correlating anisotropic and isotropic chemical shifts in powdered samples. Two-dimensional (2D) NMR spectra are obtained by processing signals acquired in independent experiments for different angles between the sample spinning axis and the Zeeman magnetic field. This 2D NMR approach can therefore resolve individual static anisotropic lineshapes according to their isotropic chemical shift frequencies, without use of sudden mechanical motions or multiple-pulse irradiation schemes. Applications of the technique are illustrated with an analysis of the chemical shift anisotropy for the eight distinct C-13 sites in tyrosine.

}, keywords = {magic-angle}, isbn = {0021-2148}, url = {://WOS:A1992KT51700005}, author = {Frydman, L. and Chingas, G. C. and Lee, Y. K. and Grandinetti, P. J. and Eastman, M. A. and Barrall, G. A. and Pines, A.} } @article {503, title = {C-13 Nmr in Solids - a Citation-Classic Commentary on Proton-Enhanced Nmr of Dilute Spins in Solids by Pines,A., Gibby,M.G., and Waugh,J.S.}, journal = {Current Contents/Physical Chemical \& Earth Sciences}, year = {1991}, note = {Cc/Phys Chem EarthFy134Times Cited:0Cited References Count:2}, month = {Aug 12}, pages = {10-10}, isbn = {0163-2574}, url = {://WOS:A1991FY13400001}, author = {Pines, A.} } @inbook {555, title = {Calcination-dependence ofplatinum cluster formation in NaY zeolite: A xenon-129 NMR study}, booktitle = {Structure and Reactivity of Surfaces}, year = {1989}, pages = {269-278}, publisher = {Elsevier Science Publishers}, organization = {Elsevier Science Publishers}, address = {Amsterdam}, author = {Chmelka, B.F. and de Menorval, L.C. and Csencsits, R. and Ryoo, R. and Liu, S.B. and Radke, C.J. and Petersen, E.E. and Pines, A.}, editor = {C. Morterra, A. Zecchina, and G. Costa} } @article {598, title = {Composite Pulses in Zero-Field Nmr}, journal = {Journal of Magnetic Resonance}, volume = {70}, year = {1986}, note = {J Magn ResonF4381Times Cited:8Cited References Count:33}, month = {Dec}, pages = {518-522}, isbn = {0022-2364}, doi = {Doi 10.1016/0022-2364(86)90147-2}, url = {://WOS:A1986F438100023}, author = {Thayer, A. M. and Pines, A.} } @article {619, title = {Composite Pulses without Phase-Distortion}, journal = {Journal of Magnetic Resonance}, volume = {61}, year = {1985}, note = {J Magn ResonAbv11Times Cited:124Cited References Count:37}, pages = {90-101}, isbn = {1090-7807}, doi = {Doi 10.1016/0022-2364(85)90270-7}, url = {://WOS:A1985ABV1100009}, author = {Tycko, R. and Cho, H. M. and Schneider, E. and Pines, A.} } @article {633, title = {Computer-Simulations of Multiple-Quantum Nmr Experiments .1. Nonselective Excitation}, journal = {Journal of Magnetic Resonance}, volume = {60}, year = {1984}, note = {J Magn ResonTw096Times Cited:58Cited References Count:50}, pages = {205-235}, isbn = {1090-7807}, doi = {Doi 10.1016/0022-2364(84)90327-5}, url = {://WOS:A1984TW09600005}, author = {Murdoch, J. B. and Warren, W. S. and Weitekamp, D. P. and Pines, A.} } @article {628, title = {Computer-Simulations of Multiple-Quantum Nmr Experiments .2. Selective Excitation}, journal = {Journal of Magnetic Resonance}, volume = {60}, year = {1984}, note = {J Magn ResonTw096Times Cited:11Cited References Count:23}, pages = {236-256}, isbn = {1090-7807}, doi = {Doi 10.1016/0022-2364(84)90328-7}, url = {://WOS:A1984TW09600006}, author = {Warren, W. S. and Murdoch, J. B. and Pines, A.} } @article {651, title = {C-13 Chemical-Shifts in Solid Metal Sandwich Compounds}, journal = {Journal of the American Chemical Society}, volume = {103}, year = {1981}, note = {J Am Chem SocKy444Times Cited:40Cited References Count:8}, pages = {34-36}, isbn = {0002-7863}, doi = {Doi 10.1021/Ja00391a007}, url = {://WOS:A1981KY44400007}, author = {Wemmer, D. E. and Pines, A.} } @article {650, title = {C-13 Nmr-Studies of Coal and Coal Extracts}, journal = {Philosophical Transactions of the Royal Society a-Mathematical Physical and Engineering Sciences}, volume = {300}, year = {1981}, note = {Philos T R Soc ALj670Times Cited:50Cited References Count:25}, pages = {15-41}, isbn = {1364-503X}, doi = {Doi 10.1098/Rsta.1981.0045}, url = {://WOS:A1981LJ67000002}, author = {Wemmer, D. E. and Pines, A. and Whitehurst, D. D.} } @article {689, title = {C-13 Chemical Shielding in Oxalic-Acid, Oxalic-Acid Dihydrate, and Diammonium Oxalate}, journal = {Journal of Chemical Physics}, volume = {63}, year = {1975}, note = {J Chem PhysAk998Times Cited:49Cited References Count:20}, pages = {1267-1271}, isbn = {0021-9606}, doi = {Doi 10.1063/1.431418}, url = {://WOS:A1975AK99800034}, author = {Griffin, R. G. and Pines, A. and Pausak, S. and Waugh, J. S.} } @article {691, title = {C-13 Chemical Shielding Tensors in Ammonium Hydrogen Malonate}, journal = {Journal of Chemical Physics}, volume = {62}, year = {1975}, note = {J Chem PhysAf060Times Cited:23Cited References Count:14}, pages = {4923-4926}, isbn = {0021-9606}, doi = {Doi 10.1063/1.430406}, url = {://WOS:A1975AF06000046}, author = {Chang, J. J. and Griffin, R. G. and Pines, A.} } @article {703, title = {C-13 and N-15 chemical shielding anisotropy in acetonitrile}, journal = {Chemical Physics Letters}, year = {1974}, pages = {78}, author = {Kaplan, S. and Pines, A. and Griffin, R.G. and Waugh, J.S.} } @article {697, title = {C-13 Nuclear Magnetic-Resonance in Solid Ammonium-Tartrate}, journal = {Journal of Chemical Physics}, volume = {61}, year = {1974}, note = {J Chem PhysT7994Times Cited:76Cited References Count:35}, pages = {1021-1030}, isbn = {0021-9606}, doi = {Doi 10.1063/1.1681970}, url = {://WOS:A1974T799400040}, author = {Pines, A. and Chang, J. J. and Griffin, R. G.} } @article {693, title = {C-13 Proton Nmr Cross-Polarization Times in Solid Adamantane}, journal = {Journal of Chemical Physics}, volume = {61}, year = {1974}, note = {J Chem PhysT7994Times Cited:44Cited References Count:16}, pages = {1255-1256}, isbn = {0021-9606}, doi = {Doi 10.1063/1.1682009}, url = {://WOS:A1974T799400079}, author = {Pines, A. and Shattuck, T. W.} } @article {704, title = {Chemical Shielding Anisotropy of C-13 and N-15 in Acetonitrile}, journal = {Chemical Physics Letters}, volume = {25}, year = {1974}, note = {Chem Phys LettS5222Times Cited:46Cited References Count:8}, pages = {78-79}, isbn = {0009-2614}, doi = {Doi 10.1016/0009-2614(74)80336-2}, url = {://WOS:A1974S522200017}, author = {Kaplan, S. and Pines, A. and Griffin, R. G. and Waugh, J. S.} } @article {705, title = {Chemical Shielding Tensor of C-13 in a Carboxyl Group}, journal = {Journal of Chemical Physics}, volume = {60}, year = {1974}, note = {J Chem PhysS6878Times Cited:22Cited References Count:10}, pages = {2561-2562}, isbn = {0021-9606}, doi = {Doi 10.1063/1.1681401}, url = {://WOS:A1974S687800054}, author = {Chang, J. J. and Griffin, R. G. and Pines, A.} } @article {695, title = {Chemical Shielding Tensors of C-13 in Oxalates}, journal = {Bulletin of the American Physical Society}, volume = {19}, year = {1974}, note = {B Am Phys SocS5575Times Cited:0Cited References Count:1}, pages = {486-487}, isbn = {0003-0503}, url = {://WOS:A1974S557500422}, author = {Pines, A. and Griffin, R. G. and Waugh, J. S.} } @article {700, title = {Chemical Shielding Tensors of C-13 in Solid Dimethyl Oxalate}, journal = {Journal of Chemical Physics}, volume = {60}, year = {1974}, note = {J Chem PhysT5858Times Cited:29Cited References Count:9}, pages = {5130-5131}, isbn = {0021-9606}, doi = {Doi 10.1063/1.1681041}, url = {://WOS:A1974T585800081}, author = {Pines, A. and Abramson, E.} } @article {710, title = {C-13 Chemical Shielding Tensors in Single-Crystal Durene}, journal = {Journal of Chemical Physics}, volume = {59}, year = {1973}, note = {J Chem PhysQ3293Times Cited:124Cited References Count:22}, pages = {591-595}, isbn = {0021-9606}, doi = {Doi 10.1063/1.1680062}, url = {://WOS:A1973Q329300002}, author = {Pausak, S. and Pines, A. and Waugh, J. S.} } @article {724, title = {C-13 Chemical Shielding Anisotropy in Solids - Cs2 and Caco3}, journal = {Journal of Chemical Physics}, volume = {54}, year = {1971}, note = {J Chem PhysJ6303Times Cited:30Cited References Count:17}, pages = {5438-\&}, isbn = {0021-9606}, doi = {Doi 10.1063/1.1674855}, url = {://WOS:A1971J630300070}, author = {Pines, A. and Rhim, W. K. and Waugh, J. S.} }