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Journal of Magnetic Resonance

Oleg V Petrov, Siegfried Stapf
This work addresses the problem of a compact and easily comparable representation of multi-exponential relaxation data. It is often convenient to describe such data in a few parameters, all being of physical significance and easy to interpret, and in such a way that enables a model-free comparison between different groups of samples. Logarithmic moments (LMs) of the relaxation time constitute a set of parameters which are related to the characteristic relaxation time on the log-scale, the width and the asymmetry of an underlying distribution of exponentials...
April 13, 2017: Journal of Magnetic Resonance
Andraž Krajnc, Bart Bueken, Dirk De Vos, Gregor Mali
Nuclear magnetic resonance spectroscopy combined with modeling represents a powerful tool for the structural analysis of heterogeneous materials. In this contribution we describe an upgraded method, particularly suited for the structural analysis of mixed-linker metal-organic framework materials, which is based on the measurement and modeling of proton spin diffusion among constituents. We tested the method on a UiO-66-type metal-organic material, in which the organic building units were 1,4-benzenedicarboxylate and trans-1,4-cyclohexanedicarboxylate anions distributed within the framework in an unknown manner...
April 12, 2017: Journal of Magnetic Resonance
Marianne Cleve, Martin Krämer, Alexander Gussew, Jürgen R Reichenbach
Phase and frequency corrections of magnetic resonance spectroscopic data are of major importance to obtain reliable and unambiguous metabolite estimates as validated in recent research for single-shot scans with the same spectral fingerprint. However, when using the J-difference editing technique (1)H MEGA-PRESS, misalignment between mean edited (ON‾) and non-edited (OFF‾) spectra that may remain even after correction of the corresponding individual single-shot scans results in subtraction artefacts compromising reliable GABA quantitation...
April 7, 2017: Journal of Magnetic Resonance
Chang-Hoon Choi, Suk-Min Hong, YongHyun Ha, N Jon Shah
A double-tuned (1)H/(19)F coil using PIN-diode switches was developed and its performance evaluated. The is a key difference from the previous developments being that this design used a PIN-diode switch in series with an additionally inserted inductor in parallel to one of the capacitors on the loop. The probe was adjusted to (19)F when the reverse bias voltage was applied (PIN-diode OFF), whilst it was switched to (1)H when forward current was flowing (PIN-diode ON). S-parameters and Q-factors of single- and double-tuned coils were examined and compared with/without a phantom on the bench...
April 7, 2017: Journal of Magnetic Resonance
Sebastian Vellmer, Daniel Edelhoff, Dieter Suter, Ivan I Maximov
Diffusion MRI is an efficient and widely used technique for the investigation of tissue structure and organisation in vivo. Multiple phenomenological and biophysical diffusion models are intensively exploited for the analysis of the diffusion experiments. However, the verification of the applied diffusion models remains challenging. In order to provide a "gold standard" and to assess the accuracy of the derived parameters and the limitations of the diffusion models, anisotropic diffusion phantoms with well known architecture are demanded...
April 5, 2017: Journal of Magnetic Resonance
Jeffrey C Hoch
Non-Fourier methods of spectrum analysis are gaining traction in NMR spectroscopy, driven by their utility for processing nonuniformly sampled data. These methods afford new opportunities for optimizing experiment time, resolution, and sensitivity of multidimensional NMR experiments, but they also pose significant challenges not encountered with the discrete Fourier transform. A brief history of non-Fourier methods in NMR serves to place different approaches in context. Non-Fourier methods reflect broader trends in the growing importance of computation in NMR, and offer insights for future software development...
March 27, 2017: Journal of Magnetic Resonance
Gabriele Stevanato, James Eills, Christian Bengs, Giuseppe Pileio
We have recently demonstrated, in the context of para-hydrogen induced polarization (PHIP), the conversion of hyperpolarized proton singlet order into heteronuclear magnetisation can be efficiently achieved via a new sequence named S2hM (Singlet to heteronuclear Magnetisation). In this paper we give a detailed theoretical description, supported by an experimental illustration, of S2hM. Theory and experiments on thermally polarized samples demonstrate the proposed method is robust to frequency offset mismatches and radiofrequency field inhomogeneities...
March 6, 2017: Journal of Magnetic Resonance
Victor D Schepkin, Andreas Neubauer, Armin M Nagel, Thomas F Budinger
Potassium and sodium specific binding in vivo were explored at 21.1T by triple quantum (TQ) magnetic resonance (MR) signals without filtration to achieve high sensitivities and precise quantifications. The pulse sequence used time proportional phase increments (TPPI). During simultaneous phase-time increments, it provided total single quantum (SQ) and TQ MR signals in the second dimension at single and triple quantum frequencies, respectively. The detection of both TQ and SQ signals was performed at identical experimental conditions and the resulting TQ signal equals 60±3% of the SQ signal when all ions experience sufficient time for binding...
March 6, 2017: Journal of Magnetic Resonance
Michael C D Tayler, Dimitrios Sakellariou
We present designs for compact, inexpensive and strong dipole permanent magnets aimed primarily at magnetic resonance applications where prepolarization and detection occur at different locations. Low-homogeneity magnets with a 7.5mm bore size and field up to nearly 2T are constructed using low-cost starting materials, standard workshop tools and only few hours of labor - an achievable project for a student or postdoc with spare time. As an application example we show how our magnet was used to polarize the nuclear spins in approximately 1mL of pure [(13)C]-methanol prior to detection of its high-resolution NMR spectrum at zero field (measurement field below 10(-10)T), where signals appear at multiples of the carbon-hydrogen spin-spin coupling frequency (1)JCH=140...
March 6, 2017: Journal of Magnetic Resonance
Sungsool Wi, Chul Kim, Robert Schurko, Lucio Frydman
The use of frequency-swept radiofrequency (rf) pulses for enhancing signals in the magic-angle spinning (MAS) spectra of half-integer quadrupolar nuclides was explored. The broadband adiabatic inversion cross-polarization magic-angle spinning (BRAIN-CPMAS) method, involving an adiabatic inversion pulse on the S-channel and a simultaneous rectangular spin-lock pulse on the I-channel ((1)H), was applied to I(1/2)→S(3/2) systems. Optimal BRAIN-CPMAS matching conditions were found to involve low rf pulse strengths for both the I- and S-spin channels...
March 2, 2017: Journal of Magnetic Resonance
Aleksandra Michalik-Onichimowska, Simon Kern, Jens Riedel, Ulrich Panne, Rudibert King, Michael Maiwald
Driven mostly by the search for chemical syntheses under biocompatible conditions, so called "click" chemistry rapidly became a growing field of research. The resulting simple one-pot reactions are so far only scarcely accompanied by an adequate optimization via comparably straightforward and robust analysis techniques possessing short set-up times. Here, we report on a fast and reliable calibration-free online NMR monitoring approach for technical mixtures. It combines a versatile fluidic system, continuous-flow measurement of (1)H spectra with a time interval of 20s per spectrum, and a robust, fully automated algorithm to interpret the obtained data...
March 1, 2017: Journal of Magnetic Resonance
Jayasubba Reddy Yarava, Sachin Rama Chaudhari, Aaron J Rossini, Anne Lesage, Lyndon Emsley
We show how DNP enhanced solid-state NMR spectra can be dramatically simplified by suppression of solvent signals. This is achieved by (i) exploiting the paramagnetic relaxation enhancement of solvent signals relative to materials substrates, or (ii) by using short cross-polarization contact times to transfer hyperpolarization to only directly bonded carbon-13 nuclei in frozen solutions. The methods are evaluated for organic microcrystals, surfaces and frozen solutions. We show how this allows for the acquisition of high-resolution DNP enhanced proton-proton correlation experiments to measure inter-nuclear proximities in an organic solid...
March 1, 2017: Journal of Magnetic Resonance
Daniel Nunes, Tomás L Cruz, Sune N Jespersen, Noam Shemesh
White Matter (WM) microstructures, such as axonal density and average diameter, are crucial to the normal function of the Central Nervous System (CNS) as they are closely related with axonal conduction velocities. Conversely, disruptions of these microstructural features may result in severe neurological deficits, suggesting that their noninvasive mapping could be an important step towards diagnosing and following pathophysiology. Whereas diffusion based MRI methods have been proposed to map these features, they typically entail the application of powerful gradients, which are rarely available in the clinic, or extremely long acquisition schemes to extract information from parameter-intensive models...
February 28, 2017: Journal of Magnetic Resonance
Gaurav Verma, Sanjeev Chawla, Rajakumar Nagarajan, Zohaib Iqbal, M Albert Thomas, Harish Poptani
Two-dimensional localized correlated spectroscopy (2D L-COSY) offers greater spectral dispersion than conventional one-dimensional (1D) MRS techniques, yet long acquisition times and limited post-processing support have slowed its clinical adoption. Improving acquisition efficiency and developing versatile post-processing techniques can bolster the clinical viability of 2D MRS. The purpose of this study was to implement a non-uniformly weighted sampling (NUWS) scheme for faster acquisition of 2D-MRS. A NUWS 2D L-COSY sequence was developed for 7T whole-body MRI...
February 22, 2017: Journal of Magnetic Resonance
W Th Wenckebach
Dynamic Nuclear Polarization (DNP) via the mechanism of thermal mixing has proven itself most powerful for the orientation of nuclear spins in polarized targets and hyperpolarization for magnetic resonance imaging (MRI). Unfortunately, theoretical descriptions of this mechanism have been limited to using-at least partially-the high temperature approximation, in which Boltzmann factors are expanded linearly. However, the high nuclear spin polarization required and obtained for these applications does not justify such approximations...
February 20, 2017: Journal of Magnetic Resonance
Navin Khaneja
In this paper, we propose a new method for design of composite pulses that are robust to rf-amplitude (rf-inhomogeneity). We call this, the method of Fourier synthesis. The method is general enough to design excitation, inversion, refocusing or arbitary flip angle pulses that are robust to rf-amplitude. The method can be tailored to have amplitude selective excitation. We experimentally show rf-compensation over a order of magnitude (20db) variation in rf-amplitude. The method is expected to find use in invivo NMR studies using surface coils, where there is large dispersion in rf-amplitude over the sample...
February 15, 2017: Journal of Magnetic Resonance
Derek Marsh
Abragam's double-commutator spin operator method is used to analyse: 1) electron coherence transfer by intermolecular dipolar interaction between spin-label radicals, and 2) longitudinal and transverse electron spin relaxation by rotational modulation of the Zeeman and nitrogen-hyperfine anisotropies of isolated nitroxide spin labels. Results compatible with earlier treatments by Redfield theory are obtained without specifically evaluating matrix elements. Extension to single-transition operators for isolated nitroxides predicts electron coherence transfer by pseudosecular electron-nuclear dipolar interaction, in the absence of intermolecular dipolar coupling...
February 15, 2017: Journal of Magnetic Resonance
Laetitia Rouger, Maxime Yon, Vincent Sarou-Kanian, Franck Fayon, Jean-Nicolas Dumez, Patrick Giraudeau
We show that two widely used 2D solid-state NMR (ssNMR) pulse sequences can be implemented in an ultrafast (UF) manner, and yield 2D spectra of elastomers in a single scan, under magic-angle spinning. UF 2D ssNMR provides an acceleration of one to several orders of magnitude for classic experiments.
February 9, 2017: Journal of Magnetic Resonance
Dan Xiao, Bruce J Balcom
The π Echo Planar Imaging (PEPI) method has recently been modified to permit proton density imaging of fluids in porous media with moderate T2 and short T2(∗) signal components. In many applications, it is desirable to discriminate multiple T2 components within each image voxel. T2 selective imaging is explored in this paper through adiabatic inversion as a magnetization preparation with PEPI readout. When prior information of the sample relaxation times is known, responses of different species to broadband adiabatic inversion pulses can be predicted by Bloch equation simulation...
February 8, 2017: Journal of Magnetic Resonance
Patrick Judeinstein, Filippo Ferdeghini, Rodrigo Oliveira-Silva, Jean-Marc Zanotti, Dimitrios Sakellariou
Many single-sided permanent magnet NMR systems have been proposed over the years allowing for 1D proton-density profiling, diffusion measurements and relaxometry. In this manuscript we make use of a recently published unilateral magnet for low-field NMR exhibiting an extremely uniform magnetic field gradient with moderate strength and cylindrical symmetry, allowing for a well-defined sweet spot. Combined with a goniometer, our system is used to characterize precisely the uniformity of its gradient and to achieve micrometric precision 1D profiling, as well as spatially localized relaxometry and diffusometry on thick (∼150μm) membrane samples...
February 8, 2017: Journal of Magnetic Resonance
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