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Vol 49, No 2 (2018)

Original Paper

Tailored Nitroxide Radicals and Biradical Containing 13C Enriched Acetylene Groups: ENDOR and DFT Investigation

Kokorin A.I., Zaripov R.B., Gromov O.I., Hideg K., Kálai T.

Abstract

A specially synthesized nitroxide biradical R5-C≡13C-(p-C6H4)2-13C≡C-R5 (B4) and two radicals, R5-C≡13CH (RCC) and R5-C≡13C-C6H5 (RCCPh), where R5 is 1-oxyl-2,2,5,5-tetramethyl-pyrroline group, have been studied by X- and W-band electron paramagnetic resonance (EPR) spectroscopy, and by W-band electron-nuclear double resonance (ENDOR). Spin density distribution and hyperfine splitting (hfs) constants on 13C atoms were experimentally determined and also calculated using ORCA 3.0.3 program package. The biradical and radicals geometries were optimized on UKS/B3LYP/cc-pVDZ level. Hfs constants were calculated using density functional theory (DFT) with PBE0 functional and N07D, and were compared with the experimental value of the hfs constant on 13C atoms, measured from ENDOR spectra. It is concluded that at small values of the exchange integral as J ≤ a/2 ≈ 7–8 G, the current quantum chemical approaches do not allow determining precise values of the hfs constants on the 13C atoms in the bridge connecting two paramagnetic nitroxide rings of the biradical.

Applied Magnetic Resonance. 2018;49(2):137-149
pages 137-149 views

Encoding Textual Information in Magnetic Resonance Imaging

Anisimov N.V., Pavlova O.S.

Abstract

The data of magnetic resonance imaging (MRI) studies include not only grayscale images, but also textual information associated with them —personal data about the patient, parameters of scanning and data processing, etc. This information is stored separately from graphic images. Therefore, the possibility for its correction and loss cannot be excluded. In this paper, the method of generation of marker information on diagnostic images is described. The marker information, as a textual analogue, is entered on the image during an MRI scan and becomes an integral part of the diagnostic material along with the images of anatomical structures. The method is realized by using the selective radiofrequency presaturation of non-scanable slices oriented perpendicularly to the scanned slices. It leads to the formation of bands of reduced signal in the areas of intersections of these slices on images. In this case, the band thicknesses are equal to the thicknesses of non-scanable slices. Different combinations of these bands (marker lines) are formed directly on images and can contain information about MRI studies. This information is determined not only by positions and angle orientations of bands, but also by their thickness, total brightness and brightness distribution in the transverse direction of these bands. The examples of introducing and positioning the marker information in conventional MRI studies are presented.

Applied Magnetic Resonance. 2018;49(2):165-174
pages 165-174 views

FMR Studies of Ultra-Thin Epitaxial Pd0.92Fe0.08 Film

Esmaeili A., Vakhitov I.R., Yanilkin I.V., Gumarov A.I., Khaliulin B.M., Gabbasov B.F., Aliyev M.N., Yusupov R.V., Tagirov L.R.

Abstract

Magnetic anisotropies of 20 nm epitaxial film of palladium–iron alloy Pd0.92Fe0.08 grown on the (001) MgO substrate were studied. Ferromagnetic resonance (FMR) spectroscopy and vibrating sample magnetometry (VSM) were exploited to determine magnetic parameters of the film. It was found that the synthesized film reveals cubic anisotropy with tetragonal distortion. The simulated magnetic hysteresis loops, obtained utilizing the magnetic anisotropy constants taken from the FMR spectra analysis, agree well with those measured by VSM.

Applied Magnetic Resonance. 2018;49(2):175-183
pages 175-183 views

Optimizing Image Reconstruction in SENSE Using GPU

Qazi S.A., Nasir S., Saeed A., Omer H.

Abstract

Parallel magnetic resonance imaging (MRI) (pMRI) uses multiple receiver coils to reduce the MRI scan time. To accelerate the data acquisition process in MRI, less amount of data is acquired from the scanner which leads to artifacts in the reconstructed images. SENSitivity Encoding (SENSE) is a reconstruction algorithm in pMRI to remove aliasing artifacts from the undersampled multi coil data and recovers fully sampled images. The main limitation of SENSE is computing inverse of the encoding matrix. This work proposes the inversion of encoding matrix using Jacobi singular value decomposition (SVD) algorithm for image reconstruction on GPUs to accelerate the reconstruction process. The performance of Jacobi SVD is compared with Gauss–Jordan algorithm. The simulations are performed on two datasets (brain and cardiac) with acceleration factors 2, 4, 6 and 8. The results show that the graphics processing unit (GPU) provides a speed up to 21.6 times as compared to CPU reconstruction. Jacobi SVD algorithm performs better in terms of acceleration in reconstructions on GPUs as compared to Gauss–Jordan method. The proposed algorithm is suitable for any number of coils and acceleration factors for SENSE reconstruction on real time processing systems.

Applied Magnetic Resonance. 2018;49(2):151-164
pages 151-164 views

Assessment of Combined Therapy of Histochrome and Nebivalol as Angioprotectors on the Background of Experimental Hypertension by Magnetic Resonance Angiography

Agafonova I.G., Kotelnikov V.N., Geltser B.I., Kolosova N.G., Stonik V.A.

Abstract

The renovascular model of arterial hypertension (AH) was induced in Wistar and OXYS strains. The model of AH was verified by magnetic resonance angiography. It was shown that histochrome enhances the vasodilatory effect of selective beta1 blocker, nebivalol, against cerebral and renal arteries using a combined therapy in this model. Monotherapy with histochrome had no significant effect on blood pressure. The angioprotective effect of histochrome in the combined therapy was significantly more expressed in hypertensive OXYS rats compared to hypertensive Wistar rats as shown by magnetic resonance imaging (MRI) morphometry. These differences were more observable in the intrarenal part of renal arteries. The degree of regional discirculation of arteries was calculated by the Cerebro-Renal Vascular Index, which confirms the therapeutic advantage of combined therapy with histochrome and nebivalol in the background of AH. Thus, comparative MRI angiography and MRI morphometry of the cerebral and renal arteries in hypertensive Wistar and OXYS strain rats showed that histochrome expands the therapeutic potential of nebivalol due to angioprotective effects in the vascular region of the target organs.

Applied Magnetic Resonance. 2018;49(2):217-225
pages 217-225 views

Multiple Parallel Round Leg Design for Quadrature Birdcage Coil in Ultrahigh-Field MRI

Xu Y., Wen Q., Yang H., Zhong K.

Abstract

Copper foil has been widely employed in conventional radio frequency (RF) birdcage coils for magnetic resonance imaging (MRI). However, for ultrahigh-field (UHF) MRI, current density distribution on the copper foil is concentrated on the surface and the edge due to proximity effect. This increases the effective resistance and distorts the circumferential sinusoidal current distribution on the birdcage coils, resulting in low signal-to-noise ratio (SNR) and inhomogeneous distribution of RF magnetic (B1) field. In this context, multiple parallel round wires were proposed as legs of a birdcage coil to optimize current density distribution and to improve the SNR and the B1 field homogeneity. The design was compared with three conventional birdcage coils with different width flat strip surface legs for a 9.4 T (T) MRI system, e.g., narrow-leg birdcage coil (NL), medium-leg birdcage coil (ML), broad-leg birdcage coil (BL) and the multiple parallel round wire-leg birdcage coil (WL). Studies were carried out in in vitro saline phantom as well as in vivo mouse brain. WL showed higher coil quality factor Q and more homogeneous B1 field distribution compared to the other three conventional birdcage coils. Furthermore, WL showed 12, 10 and 13% SNR increase, respectively, compared to NL, ML and BL. It was proposed that conductor’s shape optimization could be an effective approach to improve RF coil performance for UHF MRI.

Applied Magnetic Resonance. 2018;49(2):209-216
pages 209-216 views

Theoretical Investigations of the Spin Hamiltonian Parameters for the Mononuclear Square Pyramidal [CuO5] Groups in Two Paddle Wheel Copper Complexes

Wu L., Wu S., Kuang M., Zhang L., Peng L.

Abstract

The spin Hamiltonian parameters (SHPs) (g factors and hyperfine structure constants) for the mononuclear square pyramidal [CuO5] groups in two paddle wheel copper complexes {Cu22–O2CCH3)4}(OCNH2CH3) and \({}_{\infty }^{3} [{\text{Cu}}_{ 2}^{\text{I}} {\text{Cu}}_{ 2}^{\text{II}} ( {\text{H}}_{ 2} {\text{O)}}_{ 2} {\text{L}}_{ 2} {\text{Cl}}_{ 2} ]\) are theoretically investigated from the perturbation calculations of these parameters for a rhombically elongated octahedral 3d9 group. The slightly larger anisotropy Δg (≈ g// − g) of complex 1 than complex 2 is attributed to the slightly bigger deviations of the polar angles related to the ideal value 90° and relative differences between the axial and basal Cu–O distances in the former. The axiality of the EPR signals for both systems can be illustrated as the fact that the perpendicular anisotropic contributions to X and Y components of the SHPs arising from the four basal ligands with slightly distinct bond lengths and bond angles may roughly cancel one another. The signs of hyperfine structure constants are also theoretically determined for both complexes.

Applied Magnetic Resonance. 2018;49(2):125-135
pages 125-135 views

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