@article {3531, title = {Rotaxane probes for the detection of hydrogen peroxide by 129Xe hyperCEST NMR}, journal = {Angewandte Chemie International Edition}, year = {2019}, doi = {10.1002/anie.201903045}, url = {https://onlinelibrary.wiley.com/doi/full/10.1002/anie.201903045}, author = {Klass, Sarah H and Truxal, Ashley E and Fiala, T A and Kelly, Joseph and Nguyen, Dang and Finbloom, Joel A and Wemmer, David E and Pines, Alexander and Francis, Matthew B} } @article {2981, title = {Wide dynamic range magnetic field cycler: Harnessing quantum control at low and high fields}, journal = {Review of Scientific Instruments }, volume = {90}, year = {2019}, month = {01/2019}, abstract = {

We describe the construction of a fast field cycling device capable of sweeping a 4-order-of-magnitude range of magnetic fields, from \∼1 mT to 7 T, in under 700 ms, and which is further extendable to a 1 nT-7 T range. Central to this system is a high-speed sample shuttling mechanism between a superconducting magnet and a magnetic shield, with the capability to access arbitrary fields in between with high resolution. Our instrument serves as a versatile platform to harness the inherent dichotomy of spin dynamics on offer at low and high fields\—in particular, the low anisotropy, fast spin manipulation, and rapid entanglement growth at low field as well as the long spin lifetimes, spin specific control, and efficient inductive measurement possible at high fields. Exploiting these complementary capabilities in a single device opens up applications in a host of problems in quantum control, sensing, and information storage, besides in nuclear hyperpolarization, relaxometry, and imaging. In particular, in this paper, we focus on the ability of the device to enable low-field hyperpolarization of 13C nuclei in diamond via optically pumped electronic spins associated with nitrogen vacancy defect centers.

}, doi = {https://doi.org/10.1063/1.5064685}, url = {https://aip.scitation.org/doi/10.1063/1.5064685}, author = {A. Ajoy and X. Lv and E. Druga and K. Liu and B. Safvati and A. Morabe and M. Fenton and R. Nazaryan and S. Patel and T. Sjolander and J. Reimer and D Sakellariou and C. Meriles and A. Pines} } @article {1867, title = {129Xe NMR Relaxation-Based Macromolecular Sensing}, journal = {JACS Communication}, volume = {138}, year = {2016}, month = {07/2016}, chapter = {9747}, author = {Muller Gomes and Phuong Dao and Keunghong Jeong and Clancy Slack and Christophoros Vassiliou and Matthew B. Francis and David Wemmer and Alexander Pines} } @article {2297, title = {Rotaxane probes for protease detection by 129Xe hyperCEST NMR}, journal = {Chemical Communications}, year = {2016}, month = {12/2016}, doi = {10.1039/C6CC09302G}, author = {Slack, CS and Finbloom, JA and Jeong, K and Bruns, CJ and Wemmer, DE and Pines, A and Francis, MB} } @article {1941, title = {Rotaxane-mediated suppression and activation of cucurbit[6]uril for molecular detection by 129Xe hyperCEST NMR}, journal = {ChemComm}, year = {2016}, author = {Joel A. Finbloom and Clancy C. Slack and Carson J. Bruns and Keunhong Jeong and David E. Wemmer and Alexander Pines and Matthew B. Francis} } @article {2074, title = {Targeted Molecular Imaging of Cancer Cells using MS2-Based 129Xe NMR}, journal = {Bioconjugate Chemistry}, volume = {27}, year = {2016}, month = {07/2016}, chapter = {1796}, doi = {10.1021/acs.bioconjchem.6b00275}, url = {http://pubs.acs.org/doi/abs/10.1021/acs.bioconjchem.6b00275}, author = {Keunhong Jeong and Chawita Netirojjanakul and Henrik K Munch and Jinny Sun and Joel A Finbloom and David E Wemmer and Alexander Pines and Matthew B Francis} } @article {1866, title = {Investigation of DOTA-Metal Chelation Effects on 129Xe Chemical Shift}, journal = {ChemPhysChem}, year = {2015}, author = {Keunhong Jeong and Clancy C. Slack and Christophoros C. Vassiliou and Phuong Dao and Muller D Gomes and Daniel J. Kennedy and Ashley E. Truxal and Lindsay J Sperling and Matthew B. Francis and David E. Wemmer and Alexander Pines} } @article {1451, title = {Molecular Sensing Using Hyperpolarized Xenon NMR Spectroscopy}, journal = {Israel Journal of Chemistry}, volume = {54}, year = {2014}, pages = {104-112}, doi = {10.1002/ijch.201300128}, author = {Palaniappan, K.K. and Francis, M.B. and Pines, A. and Wemmer, D.E.} } @article {243, title = {HyperCEST detection of a 129Xe-based contrast agent composed of cryptophane-A molecular cages on a bacteriophage scaffold}, journal = {Magnetic Resonance in Medicine}, volume = {69}, year = {2013}, pages = {1245-1252}, author = {Stevens, T.K. and Palaniappan, K.K. and Ramirez, R.M. and Francis, M.B. and Wemmer, D.E. and Pines, A.} } @article {1350, title = {Hyperpolarized xenon-based molecular sensors for label-free detection of analytes}, journal = {Journal of the American Chemical Society}, volume = {136}, year = {2013}, month = {12/2013}, pages = {164-168}, doi = {10.1021/ja406760r}, author = {Garimella, Praveena and Meldrum, Tyler and Witus, Leah Suzanne and Smith, Monica and Bajaj, Vikram and Wemmer, David E. and Francis, Matthew B. and Pines, Alexander} } @article {244, title = {Molecular imaging of cancer cells using a bacteriophage-based (129) xe NMR biosensor.}, journal = {Angewandte Chemie-International Edition}, volume = {52}, year = {2013}, pages = {4849-4853}, edition = {2013 Mar 28}, doi = {10.1002/anie.201300170}, author = {Palaniappan, K. K. and Ramirez, R.M. and Bajaj, V.S. and Wemmer, D.E. and Pines, A. and Francis, M.B.} } @article {263, title = {A Xenon-Based Molecular Sensor Assembled on an MS2 Viral Capsid Scaffold}, journal = {Journal of the American Chemical Society}, volume = {132}, year = {2010}, note = {J Am Chem Soc589OATimes Cited:20Cited References Count:23}, month = {May 5}, pages = {5936-+}, abstract = {

In MRI, anatomical structures are most often differentiated by variations in their bulk magnetic properties. Alternatively, exogenous contrast agents can be attached to chemical moieties that confer affinity to molecular targets; the distribution of such contrast agents can be imaged by magnetic resonance. Xenon-based molecular sensors are molecular imaging agents that rely on the reversible exchange of hyperpolarized xenon between the bulk and a specifically targeted host-guest complex. We have incorporated similar to 125 xenon sensor molecules in the interior of an MS2 viral capsid, conferring multivalency and other properties of the viral capsid to the sensor molecule. The resulting signal amplification facilitates the detection of sensor at 0.7 pM, the lowest to date for any molecular imaging agent used in magnetic resonance. This amplification promises the detection of chemical targets at much lower concentrations than would be possible without the capsid scaffold.

}, keywords = {nmr}, isbn = {0002-7863}, doi = {Doi 10.1021/Ja100319f}, url = {://WOS:000277158500007}, author = {Meldrum, T. and Seim, K. L. and Bajaj, V. S. and Palaniappan, K. K. and Wu, W. and Francis, M. B. and Wemmer, D. E. and Pines, A.} } @article {271, title = {{\textquoteright}Ex situ{\textquoteright} magnetic resonance volume imaging}, journal = {Chemical Physics Letters}, volume = {467}, year = {2009}, note = {Chem Phys Lett386VCTimes Cited:2Cited References Count:25}, month = {Jan 5}, pages = {398-401}, abstract = {

The portable NMR community has introduced advances that have allowed for a variety of studies. Imaging of static and moving objects has almost become standardized. The inherent static field gradients of portable systems have, however, limited such studies to imaging of slices perpendicular to the main gradient; full volume imaging in transportable, open systems has not been actively pursued. We present a true three-dimensional image of a phantom in an ex situ, electromagnet-based system. The basic concepts and designs put forth here extend in a straightforward fashion to higher fields and imaging of larger samples by ex situ methodologies. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {array}, isbn = {0009-2614}, doi = {Doi 10.1016/J.Cplett.2008.11.069}, url = {://WOS:000261909700037}, author = {Demas, V. and Franck, J. M. and Bouchard, L. S. and Sakellariou, D. and Meriles, C. A. and Martin, R. and Prado, P. J. and Bussandri, A. and Reimer, J. A. and Pines, A.} } @article {270, title = {Shimmed matching pulses: Simultaneous control of rf and static gradients for inhomogeneity correction}, journal = {Journal of Chemical Physics}, volume = {131}, year = {2009}, note = {J Chem Phys536HUTimes Cited:4Cited References Count:30}, month = {Dec 21}, abstract = {

Portable NMR systems generally suffer from poor field homogeneity and are therefore used more commonly for imaging and relaxation measurements rather than for spectroscopy. In recent years, various approaches have been proposed to increase the sample volume that is usable for spectroscopy. These include approaches based on manual shimming and those based on clever combinations of modulated radio frequency and gradient fields. However, this volume remains small and, therefore, of limited utility. We present improved pulses designed to correct for inhomogeneous dispersion across wide ranges of frequency offsets without eliminating chemical shift or spatial encoding. This method, based on the adiabatic double passage, combines the relatively larger corrections available from spatially matched rf gradients [C. Meriles , J. Magn. Reson. 164, 177 (2003)]. with the adjustable corrections available from time-modulated static field gradients [D. Topgaard , Proc. Natl. Acad. Sci. U.S.A. 101, 17576 (2004)]. We explain the origins of these corrections with a theoretical model that simplifies and expedites the design of the pulse waveforms. We also present a generalized method for evaluating and comparing pulses designed for inhomogeneity correction. Experiments validate this method and support simulations that offer new possibilities for significantly enhanced performance in portable environments.

}, keywords = {design}, isbn = {0021-9606}, doi = {Doi 10.1063/1.3243850}, url = {://WOS:000273036300030}, author = {Franck, J. M. and Demas, V. and Martin, R. W. and Bouchard, L. S. and Pines, A.} } @article {297, title = {Xenon biosensor amplification via dendrimer-cage supramolecular constructs}, journal = {Journal of the American Chemical Society}, volume = {128}, year = {2006}, note = {J Am Chem Soc043HFTimes Cited:37Cited References Count:21}, month = {May 17}, pages = {6334-6335}, keywords = {chemistry}, isbn = {0002-7863}, doi = {Doi 10.1021/Ja061735s}, url = {://WOS:000237590400033}, author = {Mynar, J. L. and Lowery, T. J. and Wemmer, D. E. and Pines, A. and Frechet, J. M. J.} } @article {320, title = {Xenon NMR as a probe for microporous and mesoporous solids, polymers, liquid crystals, solutions, flames, proteins, imaging}, journal = {Actualite Chimique}, year = {2005}, note = {Actual ChimiqueSuppl. 287952GHTimes Cited:3Cited References Count:89}, month = {Jun}, pages = {16-34}, abstract = {

We present in this paper some examples of the applications of the Nuclear Magnetic Resonance (NMR) of xenon used as a probe in the study of different chemical environments: determination of the porosity of micro-and mesoporous solids, evaluation of the concentrations and sizes of amorphous domains in solid polymers, characterization of liquid crystals, study of combustion processes at high temperature, determination of the structure and dynamics of organic systems and proteins in solution, assessment of cerebral blood flow.

}, keywords = {silica-gels}, isbn = {0151-9093}, url = {://WOS:000230991500005}, author = {Bartik, K. and Choquet, P. and Constantinesco, A. and Duhamel, G. and Fraissard, J. and Hyacinthe, J. N. and Jokisaari, J. and Locci, E. and Lowery, T. J. and Luhmer, M. and Meersmann, T. and Moudrakovski, I. L. and Pavlovskaya, G. E. and Pierce, K. L. and Pines, A. and Ripmeester, J. A. and Telkki, V. V. and Veeman, W. S.} } @article {452, title = {Solid-State O-17 Magic-Angle and Dynamic-Angle Spinning Nmr-Study of the Sio2 Polymorph Coesite}, journal = {Journal of Physical Chemistry}, volume = {99}, year = {1995}, note = {J Phys Chem-UsRn706Times Cited:95Cited References Count:41}, month = {Aug 10}, pages = {12341-12348}, abstract = {

Five distinctly resolved O-17 solid-state NMR resonances in room temperature coesite, an SiO2 polymorph, have been observed and assigned using dynamic-angle spinning (DAS) at 11.7 T along with magic-angle spinning (MAS) spectra at 9.4 and 11.7 T. The O-17 quadrupolar parameters for each of the five oxygen environments in coesite are correlated with the Si-O-Si bridging bond angles determined by diffraction experiments. The sign of e(2)qQ/h along with the orientation of the electric field gradient for oxygen in the Si-O-Si linkage were determined from a Townes-Dailey analysis of the data.

}, keywords = {oxygen}, isbn = {0022-3654}, doi = {Doi 10.1021/J100032a045}, url = {://WOS:A1995RN70600045}, author = {Grandinetti, P. J. and Baltisberger, J. H. and Farnan, I. and Stebbins, J. F. and Werner, U. and Pines, A.} } @article {461, title = {3-Dimensional Variable-Angle Nuclear-Magnetic-Resonance Exchange Spectroscopy without Rotor Axis Hopping}, journal = {Journal of Chemical Physics}, volume = {101}, year = {1994}, note = {J Chem PhysNy002Times Cited:12Cited References Count:48}, month = {Aug 1}, pages = {1852-1864}, abstract = {

Slow, large-amplitude chain motions play an important role in determining the macroscopic mechanical properties of polymers. Although such motions have been studied quantitatively by two-dimensional (2D) nuclear: magnetic resonance (NMR) exchange experiments, overlapping anisotropic patterns hamper spectral analysis, and limit applications. Variable angle correlation spectroscopy (VACSY) has proven useful in resolving such problems for rapidly spinning samples by separating anisotropic spectral patterns according to isotropic chemical shifts. In a previous study [J. Am. Chem. Sec. 115, 4825 (1993)], we described a three-dimensional (3D) NMR experiment that incorporates; the VACSY method and a hop of the rotor axis to correlate the isotropic chemical shifts to 2D anisotropic exchange patterns. The hop of the rotor axis, however, presents experimental difficulties and limits the range of motional rates that may be studied. We present in this paper a new 3D VACSY exchange experiment that obtains the same correlations without the need for the rotor axis hop. A series of 2D exchange spectra are recorded with the sample spinning at different rotation axis angles.\&$\#$39; Then using the scaling of the anisotropic frequency at the different angles, we construct the data onto a 3D matrix so that a Fourier transformation directly yields the desired correlations. The technique is applied to C-13 exchange NMR to study the slow molecular motion of ordered isotactic polypropylene.

}, keywords = {distributions}, isbn = {0021-9606}, doi = {Doi 10.1063/1.467696}, url = {://WOS:A1994NY00200011}, author = {Lee, Y. K. and Emsley, L. and Larsen, R. G. and Schmidt-Rohr, K. and Hong, M. and Frydman, L. and Chingas, G. C. and Pines, A.} } @article {480, title = {Variable-Angle 3-Dimensional Exchange Nuclear-Magnetic-Resonance Spectroscopy for the Study of Molecular-Motion in Complex Solids}, journal = {Journal of the American Chemical Society}, volume = {115}, year = {1993}, note = {J Am Chem SocLf062Times Cited:14Cited References Count:23}, month = {Jun 2}, pages = {4825-4829}, abstract = {

Although molecular motions are responsible for many of the macroscopic properties observed in solids, especially in polymers, methods for studying these processes in all but the simplest systems are scarce. In the present study we introduce a three-dimensional nuclear magnetic resonance experiment for characterizing ultraslow molecular motions in complex solid systems. The technique extracts dynamic information by resolving the two-dimensional exchange distributions that can be observed in spectra of static samples, according to the isotropic chemical shifts of individual molecular sites. These three-dimensional correlations are achieved by processing signals arising from a fast-spinning solid sample using two independent macroscopic axes of rotation as extraction parameters, an approach which becomes practical due to the simple scaling behavior of anisotropic chemical shifts with respect to the axis of sample rotation. The principles involved in this new spectroscopic technique are discussed, and the method is illustrated with an application to the analysis of motions in isotactic polypropylene.

}, keywords = {jumps}, isbn = {0002-7863}, doi = {Doi 10.1021/Ja00064a050}, url = {://WOS:A1993LF06200050}, author = {Frydman, L. and Lee, Y. K. and Emsley, L. and Chingas, G. 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 {495, title = {Pulsed Fourier-Transform Nqr of N-14 with a Dc Squid}, journal = {Physical Review Letters}, volume = {69}, year = {1992}, note = {Phys Rev LettJe754Times Cited:23Cited References Count:27}, month = {Jul 27}, pages = {684-687}, abstract = {

The zero-field free induction decay of solid ammonium perchlorate at 1.5 K has been directly detected with a dc superconducting quantum interference device. The Fourier-transform spectrum consists of three sharp lines at 17.4, 38.8, and 56.2 kHz arising from pure N-14 nucLear quadrupole resonance transitions. The absence of splittings and resonance transitions from dipolar-coupled proton spins is attributed to reorientation of the ammonium groups by quantum tunneling in combination with motional averaging in the three proton levels characterized by the irreducible representation T. The measured N-14 spin-spin relaxation time is 22+/-2 ms and the spin-lattice relaxation time is 63+/-6 ms.

}, keywords = {nh4clo4}, isbn = {0031-9007}, doi = {Doi 10.1103/Physrevlett.69.684}, url = {://WOS:A1992JE75400034}, author = {Hurlimann, M. D. and Pennington, C. H. and Fan, N. Q. and Clarke, J. and Pines, A. and Hahn, E. L.} } @article {498, title = {Quantification of the Disorder in Network-Modified Silicate-Glasses}, journal = {Nature}, volume = {358}, year = {1992}, note = {NatureJb341Times Cited:169Cited References Count:32}, month = {Jul 2}, pages = {31-35}, abstract = {

Local order in silicate glasses has been observed by many experimental techniques to be similar to that in crystalline materials. Details of the intermediate-range order are more elusive, but essential for understanding the lack of long-range symmetry in glasses and the effect of composition on glass structure. Two-dimensional O-17 dynamic-angle-spinning nuclear magnetic resonance experiments reveal intermediate-range order in the distribution of inter-tetrahedral (Si-O-Si) bond angles and a high degree of order in the disposition of oxygen atoms around the network-modifying cations.

}, keywords = {time}, isbn = {0028-0836}, doi = {Doi 10.1038/358031a0}, url = {://WOS:A1992JB34100043}, author = {Farnan, I. and Grandinetti, P. J. and Baltisberger, J. H. and Stebbins, J. F. and Werner, U. and Eastman, M. A. and Pines, A.} } @article {497, title = {Variable-Angle Correlation Spectroscopy in Solid-State Nuclear-Magnetic-Resonance}, journal = {Journal of Chemical Physics}, volume = {97}, year = {1992}, note = {J Chem PhysJr338Times Cited:90Cited References Count:28}, month = {Oct 1}, pages = {4800-4808}, abstract = {

We describe here a new solid-state nuclear-magnetic-resonance (NMR) experiment for correlating anisotropic and isotropic chemical shifts of inequivalent nuclei in powdered samples. Spectra are obtained by processing signals arising from a spinning sample, acquired in independent experiments as a function of the angle between the axis of macroscopic rotation and the external magnetic field. This is in contrast to previously proposed techniques, which were based on sudden mechanical flippings or multiple-pulse sequences. We show that the time evolution of variable-angle-spinning signals is determined by a distribution relating the isotropic frequencies of the spins with their corresponding chemical shift anisotropies. Fourier transformation of these data therefore affords a two-dimensional NMR spectrum, in which line shapes of isotropic and anisotropic interactions are correlated. Theoretical and experimental considerations involved in the extraction of this spectral information are discussed, and the technique is illustrated by an analysis of C-13 NMR anisotropy in glycine, cysteine, and p-anisic acid.

}, keywords = {axis}, isbn = {0021-9606}, doi = {Doi 10.1063/1.463860}, url = {://WOS:A1992JR33800022}, 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 {551, title = {Nuclear Magnetic-Resonance with Dc Squid Preamplifiers}, journal = {Ieee Transactions on Magnetics}, volume = {25}, year = {1989}, note = {Ieee T MagnT6706Times Cited:21Cited References Count:23}, month = {Mar}, pages = {1193-1199}, isbn = {0018-9464}, doi = {Doi 10.1109/20.92510}, url = {://WOS:A1989T670600113}, author = {Fan, N. Q. and Heaney, M. B. and Clarke, J. and Newitt, D. and Wald, L. L. and Hahn, E. L. and Bielecki, A. and Pines, A.} } @article {690, title = {Qualitative Analysis of Chemisorbed Molecular Species Via C-13 Nmr}, journal = {Surface Science}, volume = {47}, year = {1975}, note = {Surf SciV7219Times Cited:36Cited References Count:22}, pages = {661-665}, isbn = {0039-6028}, doi = {Doi 10.1016/0039-6028(75)90211-3}, url = {://WOS:A1975V721900023}, author = {Chang, J. J. and Pines, A. and Fripiat, J. J. and Resing, H. A.} }