27Al NMR study in UNiAl

The ternary compound UNiAl exhibiting an antiferromagnetic order below T_N = 19.3 K has been studied in the paramagnetic state using the ²⁷Al NMR technique and different magnetically oriented samples. The quadrupole coupling constant e²qQ/h = 1.56 MHz is temperature independent. The dominant, longitudinal component of the Knight shift with respect to the hexagonal c axis, K, is positive and increases upon lowering the temperature down to 50 K. Much smaller in magnitude, the transverse component, K_±, is also positive and only slightly temperature dependent. The plots of the Knight shift vs magnetic susceptibility K(χ) and K_±(χ_±) form the same line, which implies that the transferred hyperfine field of 9.2 kOe/μB for ²⁷Al nuclei should be considered isotropic.     

Nuclear magnetic resonance relaxometry of the normal heart: Relationship between collagen content and relaxation times of the four chambers

The use of nuclear magnetic resonance (NMR) relaxation time measurements for characterization of abnormal cardiac tissue depends upon knowledge of variations of relaxation times of normal myocardium and determinants of these variations. We calculated in vitro NMR T₁ and T₂ relaxation times of canine myocardium from the four cardiac chambers, and determined hydroxyproline concentration (as a measure of collagen) and percent water content of the samples. We found both water content and T₁ relaxation time of the right ventricle to be significantly greater than the left atrium (p < 0.05). T₂ relaxation time of the left ventricle was found to be shorter than each of the other three chambers (p < 0.05). There were significant correlations between the spin-lattice relaxation time and both percent water content (r = 0.58) and hydroxyproline concentration (r = 0.45). A significant correlation was also found between T₂ relaxation time and hydroxyproline concentration (r = 0.49). When T₁ and T₂ were adjusted for water and hydroxyproline content, there was no longer any evidence for significant interchamber differences for either T₁ or T₂. These data suggest that differences in NMR relaxation times exist among the four chambers of the normal canine heart. Furthermore, a major determinant of myocardial spin-lattice relaxation time is tissue water content while both collagen content and percent water content significantly contribute to variability in cardiac chamber T₂ relaxation times.     

27Al NMR study in ZrNiAl

We have studied the microscopic properties of the hexagonal ZrNiAl, a model compound for a wide family of intermetallic compounds crystallizing in this type of structure, by using ²⁷Al NMR spectroscopy. We have investigated the lineshape of static and MAS NMR spectra as a function of magnetic field strength (4.7–9.4 T) and temperature (5–300 K). Our data indicate that the ²⁷Al NMR spectra result from a combined effect of quadrupole and anisotropic shift interactions. The ²⁷Al nuclei are in an environment characterized by the quadrupole coupling constant e²qQ/h of 3.3 MHz, asymmetry parameter η_Q of 0.42, isotropic shift δ_iso of 393 ppm, shift anisotropy δ_anis = δ_zz − (δ_xx + δ_yy)/2 of 150 ppm, and asymmetry factor η_S of 0.5. They are found to be temperature independent. The spin–lattice relaxation rate measured at 7.05 T is proportional to the temperature with T₁T = 135 s K. The mechanisms responsible for observed values of δ_iso, δ_anis, T₁T, and the enhanced Korringa constant are discussed.     

27Al and 65Cu NMR study in UCu5Al.

We have studied the microscopic properties of the tetragonal UCu₅Al Kondo compound by ²⁷Al and ^63,65Cu NMR in the paramagnetic state. NMR and susceptibility measurements performed on the powdered sample, but oriented along the applied field, showed χ>χ. Plots of K(T) against χ(T) at temperatures T≥100 K yield the transferred hyperfine fields of +5.9 kOe/μ_B for ²⁷Al nuclei, and +5.3 and −7.0 kOe/μ_B for ⁶⁵Cu nuclei in crystallographically inequivalent Cu(2) and Cu(1) sites, respectively. The Knight shift vs. susceptibility plots for T<100 K exhibit a deviation from the linear behaviour (absolute values of shifts become smaller than expected). We attribute this finding to the crystalline electric field effect in similar way as it was reported for several Ce-based compounds. The random distribution of the Al and Cu(2) atoms in the crystal lattice we consider as a reason of an unusual broadening of the NMR spectra, particularly at low temperatures.     

Membrane fluidity profiles as deduced by saturation-recovery EPR measurements of spin-lattice relaxation times of spin labels

There are no easily obtainable EPR spectral parameters for lipid spin labels that describe profiles of membrane fluidity. The order parameter, which is most often used as a measure of membrane fluidity, describes the amplitude of wobbling motion of alkyl chains relative to the membrane normal and does not contain explicitly time or velocity. Thus, this parameter can be considered as nondynamic. The spin-lattice relaxation rate () obtained from saturation-recovery EPR measurements of lipid spin labels in deoxygenated samples depends primarily on the rotational correlation time of the nitroxide moiety within the lipid bilayer. Thus, can be used as a convenient quantitative measure of membrane fluidity that reflects local membrane dynamics. profiles obtained for 1-palmitoyl-2-(n-doxylstearoyl)phosphatidylcholine (n-PC) spin labels in dimyristoylphosphatidylcholine (DMPC) membranes with and without 50 mol% cholesterol are presented in parallel with profiles of the rotational diffusion coefficient, R_⊥, obtained from simulation of EPR spectra using Freed’s model. These profiles are compared with profiles of the order parameter obtained directly from EPR spectra and with profiles of the order parameter obtained from simulation of EPR spectra. It is shown that and R_⊥ profiles reveal changes in membrane fluidity that depend on the motional properties of the lipid alkyl chain. We find that cholesterol has a rigidifying effect only to the depth occupied by the rigid steroid ring structure and a fluidizing effect at deeper locations. These effects cannot be differentiated by profiles of the order parameter. All profiles in this study were obtained at X-band (9.5 GHz).     

Electronic structure of hydrogen and muonium in Al,Mg and Cu

The electronic structure of hydrogen and muonium in simple metals is investigated. The spherical solid model potential is used for the discrete lattice and the Blatt correction for lattice dilation. The proton and muon are kept at the octahedral sites in the fcc and hcp lattices and self-consistent non-linear screening calculations are carried out. The scattering phase shifts, electronic charge density, effective impurity potential, self-energy, charge transfer, residual resistivity and Knight shift are calculated. The spherical solid potential changes the scattering character of impurity. The phase shifts are found slowly converging. The scattering is more prominent in Al than in Mg and Cu. The virtual bound states of proton and muon are favoured in all the three metals. The calculated value of residual resistivity for CuH is in good agreement with the experimental value. The results for Knight shift forμ ⁺ in Cu and Mg are in reasonable agreement with the experimental values while those forμ ⁺ in Al are lower than the experimental value. The analytical expressions for effective impurity potential and electronic charge density are suggested.     

A combined 14N/27Al nuclear magnetic resonance and powder X-ray diffraction study of impurity phases in beta-sialon ceramics

Beta-sialons are ceramic phases occurring in the SiO(2)-Si(3)N(4)-AlN-Al(2)O(3) system. A series of samples with differing compositions has been investigated by magic-angle spinning nuclear magnetic resonance (NMR) spectroscopy and powder X-ray diffraction (XRD). Although the constituent nitrogen nuclei occupy positions of low symmetry in the beta-sialon structure, 14N NMR spectra could be recorded for the samples examined. The origin of the 14N signal could be traced to the presence of an aluminium nitride (AlN) impurity phase with the help of 27Al NMR and XRD results. Similarly, the existence of Al(2)O(3) grains could be readily detected for a number of samples. Thus, the combination of 14N and 27Al NMR is shown to be an especially effective tool in identifying and characterizing impurity phases in sialon ceramics, complementing the results obtained from standard XRD analysis.     

59Co nuclear magnetic resonance study in GdCo2Si2 compound

The spin echo NMR spectra of⁵⁹Co for GdCo₂Si₂ are reported. A weak negative hyperfine field on Co nuclei was found in magnetically ordered state of the compound. The splitting of resonance lines in external magnetic field indicates on antiferromagnetic structure of Gd moments lying in thea-a plane with energetic minima in [100] and [110] directions as in GdFe₂Si₂ and GdNi₂Si₂.     

Al nuclear magnetic resonance study of synthetic and natural corundum (α-Al2O3) Some experimental aspects of quantitative Al nuclear magnetic resonance spectroscopy

The ²⁷Al nuclear magnetic resonance (NMR) response of a series of natural and synthetic corundum (α-Al₂O₃) samples is studied quantitatively by short-pulse excitation and frequency-stepped adiabatic half-passage (FSAHP). Using on- and off-resonance nutation NMR, it was established that the quadrupole coupling parameters of visible Al is identical in all samples. Remarkably, the relaxation behavior for the aluminum is very different in the various samples and has a marked effect on the quantitative response. In natural corundum samples the ²⁷Al spin-lattice relaxation is very efficient as these samples contain paramagnetic impurities. As a result, however, the full signal could not be recovered, which is attributed to relaxation broadening of spins in the vicinity of these impurities. In synthetic samples, containing no impurities, the full signal could be recovered, although the relaxation behaviour appeared to depend strongly on the preparation method. We observed differences in the spin-lattice relaxation by a factor 20; the longest T₁ was observed in a crushed single crystal. This implies that α-Al₂O₃ can only be used as a standard in quantitative analyses if it has been characterized thoroughly. Furthermore, the effective relaxation behaviour for different types of excitation is studied. Finally, a method to measure the spin-lattice relaxation of half-integer quadrupole nuclei is introduced, using a frequency-stepped adiabatic passage (FSAP) to invert the spin system.     

Magnetic resonance of brain tumors: considerations of imaging contrast on the basis of relaxation measurements

Proton spin-lattice and spin-spin relaxation times have been measured in surgically-removed normal CNS tissues and a variety of tumors of the brain. All measurements were made at 20 MHz and 37 degrees C. Between grey and white matter from autopsy human or canine specimens significant differences in T1 or T2 were observed, with greater differences seen in T1. Such discrimination was reduced in samples obtained from live brain-tumor patients due to lengthening in T1 and T2 of white matter near tumorous lesions. Edematous white matter showed T1 and T2 values higher than those of autopsy disease-free white matter. Compared to normal CNS tissues, most brain tumors examined in this study demonstrated elevated T1 and T2 values. Exceptions, however, did exist. No definitive correlation was indicated on a T1 or T2 basis which allowed a distinction to be made between benign and malignant states. Furthermore, considerable variation in relaxation times occurred from tumor to tumor of the same type, suggesting that within a tumor type there are important differences in physiology, biology, and/or pathologic state. Such variation caused partial overlap in relaxation times among certain tumor types and hence may limit the capability of magnetic resonance imaging (MR) alone for the diagnosis of specific disease. Nonetheless, this study predicts that on the basis of T1 or T2 differences most brain tumors are readily detectable by MR via saturation recovery or inversion recovery with appropriate selections of pulse-spacing parameters. In general, tumors can be discriminated against white matter better than grey matter and contrast between glioma and grey matter is usually superior to that between meningioma and grey matter. This work did not consider tissue-associated proton density which should be addressed together with T1 and T2 for a complete treatment of MR contrast.     

Structural characterisation of the silica and alumina Zener pinning phases in nanocrystalline CeO2 by 29Si and 27Al nuclear magnetic resonance

Nanocrystalline CeO₂ samples have been manufactured using sol-gel techniques, containing either 15 % silica or 10 % alumina by weight to restrict growth of the ceria nanocrystals during annealing by Zener pinning. ²⁹Si and ²⁷Al MAS NMR have been used to investigate the structure of these pinning phases over a range of annealing temperatures up to 1000 °C, and their effect on the CeO₂ morphology has been studied using electron microscopy. The silica pinning phase resulted in CeO₂ nanocrystals of average diameter 19 nm after annealing at 1000 °C, whereas the alumina pinned nanocrystals grew to 88 nm at the same temperature. The silica pinning phase was found to contain a significant amount of inherent disorder indicated by the presence of lower n Qⁿ species even after annealing at 1000 °C. The alumina phase was less successful at restricting the growth of the ceria nanocrystals, and tended to separate into larger agglomerations of amorphous alumina, which crystallised to a transition alumina phase at higher temperatures.     

Electron paramagnetic resonance study of impurities and point defects in oxide crystals

In this topic review the results of the X-band electron paramagnetic resonance (EPR) measurements of Mn, Co, Cr, Fe ions in YAlO₃ (YAP) crystals and Fe ions in LiNbO₃ (LNO) crystals and of chromium doped Bi₁₂GeO₂₀ (BGO) and Ca₄GdO(BO₃)₃ single crystals, are presented. It is well known that the oxide crystals (for example:YAP, LNO, BGO) are one of the most widely used host materials for different optoelectronic applications. The nature of point defect of impurities and produced in the oxide crystal after irradiation by bismuth ions and after irradiation by the ²³⁵U ions with energy 9.47 MeV/u and fluency 5?×?10¹¹?cm^?1 is discussed. The latter is important for applications of these oxide crystal as laser materials.     

Evaluation of muscle degeneration in inherited muscular dystrophy by nuclear magnetic resonance techniques

Nuclear magnetic resonance (NMR) techniques were applied to study the muscular dystrophy in chicks. The water proton spin-lattice relaxation times (T₁) of fast, slow, and mixed muscles and plasma were measured. The T₁ values of dystrophic pectoralis major and posterior latissimus dorsi (PLD) were significantly higher than those of the normal pectoralis and PLD muscles. The present results establish a direct relationship between the differences in T₁ values and the severity of muscle degeneration. Consistent with this conclusion, it was also found that the T₁ values of muscles unaffected in muscular dystrophy, namely, the gastrocnemius, and anterior latissimus dorsi (ALD), were not different between the normal and dystrophic chicks. Although the affected muscles of dystrophic chicks contained higher percent water and fat than those of normal chicks, the results show that the higher T₁ values is dystrophic muscles were not solely due to variations in their water content. The increase in the T₁ values is principally a result of altered interaction between cellular water and macromolecules in the diseased muscles. These data also point out the potential use of NMR imaging in evaluating muscle degeneration.     

Quantum computation based on magic-angle-spinning solid state nuclear magnetic resonance spectroscopy

Magic-angle spinning (MAS) solid state nuclear magnetic resonance (NMR) spectroscopy is shown to be a promising technique for implementing quantum computing. The theory underlying the principles of quantum computing with nuclear spin systems undergoing MAS is formulated in the framework of formalized quantum Floquet theory. The procedures for realizing state labeling, state transformation and coherence selection in Floquet space are given. It suggests that by this method, the largest number of qubits can easily surpass that achievable with other techniques. Unlike other modalities proposed for quantum computing, this method enables one to adjust the dimension of the working state space, meaning the number of qubits can be readily varied. The universality of quantum computing in Floquet space with solid state NMR is discussed and a demonstrative experimental implementation of Grover's search is given. Received 19 April 2001     

Probing local magnetic cluster development in (CuZr)93−xAl7Gdx bulk metallic glasses by Al NMR

We report magnetization properties of (CuZr)_93−xAl₇Gd_x bulk metallic glasses from temperature dependent ²⁷Al nuclear magnetic resonance spectroscopy and magnetic susceptibility measurements. Significant non-linear line broadening of ²⁷Al spectra commencing at high temperatures is attributed to the development of a local magnetic susceptibility distribution that prevails over a finite temperature range. Magnetization measurements confirm the linewidth enhancement due to strong frustrated magnetic short-range order. This study provides insight into the nature of magnetic development and frustration in paramagnetic systems.