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Distant dipolar field

Le Zhang, Michael Antonacci, Alex Burant, Karl M Koshlap, Rosa Tamara Branca
A remote detection scheme utilizing the distant dipolar field interaction between two different spin species was proposed by Granwehr et al. [J. Magn. Reson. 176(2), 125 (2005)]. In that sequence (1)H spins were detected indirectly via their dipolar field interaction with (129)Xe spins, which served as the sensing spins. Here we propose a modification of the proposed detection scheme that takes advantage of the longer T1 relaxation time of xenon to create a long lasting dipolar field with which the fast relaxing (1)H spins are allowed to interact many times during a single acquisition...
November 21, 2016: Journal of Chemical Physics
Pinar Senay Özbay, Geoffrey Warnock, Cristina Rossi, Felix Kuhn, Burak Akin, Klaas Paul Pruessmann, Daniel Nanz
Dynamic changes of brain-tissue magnetic susceptibility provide the basis for functional MR imaging (fMRI) via T2*-weighted signal-intensity modulations. Promising initial work on a detection of neuronal activity via quantitative susceptibility mapping (fQSM) has been published but consistently reported on ill-understood positive and negative activation patterns (Balla et al., 2014; Chen and Calhoun, 2015a). We set out to (i) demonstrate that fQSM can exploit established fMRI data acquisition and processing methods and to (ii) better describe aspects of the apparent activation patterns using fMRI and PET as standards of reference...
August 15, 2016: NeuroImage
Sami Emre Küçük, Timur Biktagirov, Deniz Sezer
A computational analysis of the Overhauser effect is reported for the proton, methyl carbon, and carbonyl carbon nuclei of liquid acetone doped with the nitroxide radical TEMPOL. A practical methodology for calculating the dynamic nuclear polarization (DNP) coupling factors by accounting for both dipole-dipole and Fermi-contact interactions is presented. The contribution to the dipolar spectral density function of nuclear spins that are not too far from TEMPOL is computed through classical molecular dynamics (MD) simulations, whereas the contribution of distant spins is included analytically...
October 14, 2015: Physical Chemistry Chemical Physics: PCCP
Zhiyong Zhang, Yuqing Huang, Pieter E S Smith, Kaiyu Wang, Shuhui Cai, Zhong Chen
Heteronuclear NMR spectroscopy is an extremely powerful tool for determining the structures of organic molecules and is of particular significance in the structural analysis of proteins. In order to leverage the method's potential for structural investigations, obtaining high-resolution NMR spectra is essential and this is generally accomplished by using very homogeneous magnetic fields. However, there are several situations where magnetic field distortions and thus line broadening is unavoidable, for example, the samples under investigation may be inherently heterogeneous, and the magnet's homogeneity may be poor...
May 2014: Journal of Magnetic Resonance
Yuqing Huang, Zhiyong Zhang, Shuhui Cai, Zhong Chen
BACKGROUND: Two-dimensional (2D) nuclear magnetic resonance (NMR) spectroscopy is a powerful and non-invasive tool for the analysis of molecular structures, conformations, and dynamics. However, the inhomogeneity of magnetic fields experienced by samples will destroy spectral information and hinder spectral analysis. In this study, a new pulse sequence is proposed based on the modulation of distant dipolar field to recover high-resolution 2D spin-echo correlated spectroscopy (SECSY) from inhomogeneous fields...
2014: PloS One
Chung Ki Wong
In this paper, the utilization of the distant dipolar field (DDF) signal to extract the properties of susceptibility structures over a subvoxel length scale is investigated. Numerical simulations are performed to study a system of randomly distributed blood vessels with a susceptibility offset inside a voxel. It is shown that the DDF signal of the system as a function of the strength of the correlation gradient field manifests a peak that depends on the volume ratio, size, and susceptibility offset of the blood vessels...
July 2013: Magnetic Resonance Imaging
Guiping Shen, Congbo Cai, Zhong Chen, Shuhui Cai
In the COSY Revamped with Asymmetric Z-gradient Echo Detection (CRAZED) experiments, magnetization is modulated by the distant dipolar field (DDF) generated by coherence selection gradient (CSG) commonly in sinusoidal wave-form and results in detectable intermolecular multiple-quantum coherence (iMQC) signal. IMQCs have some attractive features, but their intrinsic weak signal intensity prevents their widespread applications. In this paper, a new phase cycling scheme was applied to obtain intermolecular double-quantum coherence (iDQC) signal...
May 2013: Magnetic Resonance Imaging
Deniz Sezer
Dynamic nuclear polarization (DNP) employs paramagnetic species to increase the NMR signal of nuclear spins. In liquids, the efficiency of the effect depends on the strength of the interaction between the electron and nuclear spins and the time scales on which this interaction is modulated by the physical motion of the spin-bearing molecules. An approach to quantitatively predict the contribution of molecular motions to the DNP enhancement using molecular dynamics (MD) simulations is developed and illustrated for the nitroxide radical TEMPOL in liquid toluene...
January 14, 2013: Physical Chemistry Chemical Physics: PCCP
Y Morris Chen, R T Branca, W S Warren
For more than three decades, the classical or mean-field picture describing the distant dipolar field has been almost always simplified to an effective field proportional to the local longitudinal magnetization, differing only by a scale factor of 1.5 for homomolecular (identical resonance frequency) and heteromolecular interactions. We re-examine the underlying assumptions, and show both theoretically and experimentally that the mathematical framework needs to be modified for modern applications such as imaging...
May 28, 2012: Journal of Chemical Physics
Congbo Cai, Yulan Lin, Shuhui Cai, Huijun Sun, Jianhui Zhong, Zhong Chen
Intermolecular multiple-quantum coherences (iMQCs) originated from distant dipolar field (DDF) possess some appealing unique properties for magnetic resonance imaging (MRI). DDF is usually induced with continuous wave (i.e., sine- or square-wave) magnetization modulation in the whole sample. In this article, a spatially localized and enhanced DDF was optimally tailored in a thin slice with an adiabatic inversion pulse. Evidence was provided to show that careful tailoring of the spatially localized DDF can generate highly efficient iMQC signals, with more than two-fold enhancement compared to the conventional sine-wave magnetization modulation method, and 1...
March 7, 2012: Journal of Chemical Physics
Matthias Dümpelmann, Tonio Ball, Andreas Schulze-Bonhage
Source localization based on invasive recordings by subdural strip and grid electrodes is a topic of increasing interest. This simulation study addresses the question, which factors are relevant for reliable source reconstruction based on sLORETA. MRI and electrode positions of a patient undergoing invasive presurgical epilepsy diagnostics were the basis of sLORETA simulations. A boundary element head model derived from the MRI was used for the simulation of electrical potentials and source reconstruction. Focal dipolar sources distributed on a regular three-dimensional lattice and spatiotemporal distributed patches served as input for simulation...
May 2012: Human Brain Mapping
Congbo Cai, Fenglian Gao, Shuhui Cai, Jianhui Zhong, Zhong Chen
Intermolecular multiple quantum coherences generated by distant dipolar field (DDF) have some attractive properties, but the intrinsic weak signal intensity prevents their widespread applications. Recently, Branca et al. (J Chem Phys 2008;129:054502) suggested that square wave DDF was more efficient than conventional sinusoidal DDF because it could simultaneously produce intermolecular multiple quantum coherences signal with various major orders. In this article, instead of a series of adiabatic inversion pulses proposed previously, a more efficient composite adiabatic inversion pulse was applied to create square wave DDF...
October 2010: Magnetic Resonance in Medicine: Official Journal of the Society of Magnetic Resonance in Medicine
Yuqing Huang, Xi Chen, Shuhui Cai, Congbo Cai, Zhong Chen
A new pulse sequence is proposed based on intermolecular zero-quantum coherences (iZQCs) to obtain high-resolution two-dimensional (2D) correlation spectroscopy (COSY) in inhomogeneous fields via three-dimensional (3D) acquisition. This sequence extends the high-resolution iZQC approaches from one dimension to two dimensions. Since the iZQC evolution periods in the new sequence are insensitive to the field inhomogeneities, high-resolution COSY spectra can be recovered from inhomogeneous fields by projecting the 3D data onto the indirectly acquired 2D plane...
April 7, 2010: Journal of Chemical Physics
Chung Ki Wong
A perturbation method based on the integral form of the Bloch equation is used to calculate the distant dipolar field (DDF) signal formed by the correlation spectroscopy revamped by asymmetric z-gradient echo detection (CRAZED) sequence in the presence of a susceptibility-induced field. The properties of the DDF signal are analyzed through the series expansion of the magnetization, and the first order DDF result is applied to study the use of the DDF effect to probe sub-voxel field distributions. Numerical calculations are carried out with the sub-voxel field distributions modeled by rectangular tubes of uniform frequency shifts (the block model) and cylinders of a finite susceptibility difference (the blood vessel model) using the parameters for brain at 9...
March 2010: Journal of Magnetic Resonance
Wen Zhang, Congbo Cai, Shuhui Cai, Xi Chen, Zhong Chen
Intermolecular multiple-quantum coherences (iMQCs) can be utilized to retrieve high-resolution NMR spectra in inhomogeneous magnetic fields. The application of selective pulses in pulse sequences can greatly simplify 2D iMQC spectra. However, so far high-resolution iMQC methods are mainly used in relatively small field inhomogeneities. In this paper, we took the IDEAL-II sequence as an example to study their applicability in moderate inhomogeneous magnetic fields. The experimental and simulation results show that high-resolution NMR spectra can be obtained in moderate inhomogeneous fields if the excitation range of selective pulse is properly set...
December 2009: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Alexander A Nevzorov
Establishing correlations among distant (>3A) spins remains an outstanding problem for both spectral assignment and elucidation of interhelical contacts in solid-state NMR of oriented membrane proteins. Here we present a pulse sequence which incorporates the previously established mismatched Hartmann-Hahn mixing of dilute spins via the proton bath together with high-resolution local field spectroscopy. In addition to providing structural information, the use of dipolar couplings in the indirect dimension helps eliminate the spectral crowdedness compared to the standard homonuclear correlation techniques...
November 2009: Journal of Magnetic Resonance
Wilson Barros, Daniel F Gochberg, John C Gore
The description of the nuclear magnetic resonance magnetization dynamics in the presence of long-range dipolar interactions, which is based upon approximate solutions of Bloch-Torrey equations including the effect of a distant dipolar field, has been revisited. New experiments show that approximate analytic solutions have a broader regime of validity as well as dependencies on pulse-sequence parameters that seem to have been overlooked. In order to explain these experimental results, we developed a new method consisting of calculating the magnetization via an iterative formalism where both diffusion and distant dipolar field contributions are treated as integral operators incorporated into the Bloch-Torrey equations...
May 7, 2009: Journal of Chemical Physics
Liviu F Chibotaru, Liviu Ungur, Christophe Aronica, Hani Elmoll, Guillaume Pilet, Dominique Luneau
A mixed-valence Co(II)/Co(III) heptanuclear wheel [Co(II)3Co(III)4(L)6(MeO)6] (LH2 = 1,1,1-trifluoro-7-hydroxy-4-methyl-5-aza-hept-3-en-2-one) has been synthesized and its crystal structure determined using single-crystal X-ray diffraction. The valence state of each cobalt ion was established by bond valence sum calculations. Studies of the temperature dependence of the magnetic susceptibility and the field dependence of the magnetization evidence ferromagnetic interactions within the compound. In order to understand the magnetic properties of this Co7 wheel, we performed ab initio calculations for each cobalt fragment at the CASSCF/CASPT2 level, including spin-orbit coupling effects within the SO-RASSI approach...
September 17, 2008: Journal of the American Chemical Society
Wen Ling, Uzi Eliav, Gil Navon, Alexej Jerschow
A number of contrast enhancement effects based on the use of intermolecular multiple-quantum coherences, or distant dipolar field effects are known. This phenomenon is characterized by the dependence on the mth power of the initial magnetization (where m is the coherence order used). In this paper, we describe the contrast enhancement based on chemical exchange saturation transfer and NOE, which is achieved by the use of intermolecular double-quantum coherences (iDQC). The method was validated using clinically relevant systems based on glycosaminoglycans and a sample of cartilage tissue, showing that the CEST contrast, as well as, NOE are enhanced by iDQC...
September 2008: Journal of Magnetic Resonance
Paul P Zänker, Jörg Schmiedeskamp, Hans W Spiess, Rodolfo H Acosta
Distant dipolar fields among nuclear spins on macroscopic scales in the gas phase are reported for the first time. Their observation via interatomic multiple quantum coherences requires high nuclear spin polarization corresponding to spin temperatures of a few mK, which is generated in laser-polarized 3He, and proper control of the gas diffusion through a heavier buffer gas. This combination of physics at low and ambient temperatures opens up new ways of studying the relative translational diffusion of atoms and of gas diffusion in structures with a large range of length scales...
May 30, 2008: Physical Review Letters
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