Correction of spin diffusion during iterative automated NOE assignment

Indirect magnetization transfer increases the observed nuclear Overhauser enhancement (NOE) between two protons in many cases, leading to an underestimation of target distances. Wider distance bounds are necessary to account for this error. However, this leads to a loss of information and may reduce the quality of the structures generated from the inter-proton distances. Although several methods for spin diffusion correction have been published, they are often not employed to derive distance restraints. This prompted us to write a user-friendly and CPU-efficient method to correct for spin diffusion that is fully integrated in our program ambiguous restraints for iterative assignment (ARIA). ARIA thus allows automated iterative NOE assignment and structure calculation with spin diffusion corrected distances. The method relies on numerical integration of the coupled differential equations which govern relaxation by matrix squaring and sparse matrix techniques. We derive a correction factor for the distance restraints from calculated NOE volumes and inter-proton distances. To evaluate the impact of our spin diffusion correction, we tested the new calibration process extensively with data from the Pleckstrin homology (PH) domain of Mus musculus beta-spectrin. By comparing structures refined with and without spin diffusion correction, we show that spin diffusion corrected distance restraints give rise to structures of higher quality (notably fewer NOE violations and a more regular Ramachandran map). Furthermore, spin diffusion correction permits the use of tighter error bounds which improves the distinction between signal and noise in an automated NOE assignment scheme.     

Spin-lattice relaxation and a fast T1-map acquisition method in MRI with transient-state magnetization

The magnetization under the spin-lattice relaxation and the nuclear magnetic resonance radiofrequency (RF) pulses is calculated for a signal RF pulse train and for a sequence of multiple RF pulse-trains. It is assumed that the transverse magnetization is zero when each RF pulse is applied. The result expressions can be grouped into two terms: a decay term, which is proportional to the initial magnetization M0, and a recovery term, which has no M0 dependence but strongly depends on the spin-lattice relaxation and the equilibrium magnetization Meq. In magnetic resonance pulse sequences using magnetization in transient state, the recovery term produces artifacts and can seriously degrade the function of the preparation sequence for slice selection, contrast weighting, phase encoding, etc. This work shows that the detrimental effect can be removed by signal averaging in an eliminative fashion. A novel fast data acquisition method for constructing the spin-lattice relaxation (T1) map is introduced. The method has two features: (i) By using eliminative averaging, the curve to fit the T1 value is a decay exponential function rather than a recovery one as in conventional techniques; therefore, the measurement of Meq is not required and the result is less susceptible to the accuracy of the inversion RF pulse. (ii) The decay exponential curve is sampled by using a sequence of multiple pulse-trains. An image is reconstructed from each train and represents a sample point of the curve. Hence a single imaging sequence can yield multiple sample points needed for fitting the T1 value in contrast to conventional techniques that require repeating the imaging sequence for various delay values but obtain only one sample point from each repetition.     

Finite-difference approach for the high-precision analysis of rotating-frame diffusion images

A finite-difference approach has been developed for precisely determining diffusion coefficient and T₁ relaxation time in fluid samples analyzed by magnetization-grating rotating-frame imaging (MAGROFI) with either a surface coil or a toroid cavity detector (TCD). This approach avoids shortcomings of phenomenologically based approximations, such as neglect of sample geometries with singularities at the confines of the sample volume, and accounts for the diffusive edge enhancement observed in fluid imaging. Error limits are discussed. The new method has been applied to the determination of the self-diffusion coefficient for MAGROFI experiments using TCDs filled with acetone.     

Double peaks on ac magnetization in a superconducting Pb-porous glass nanocomposite

Studies of temperature dependences of ac magnetization were carried out for a superconducting lead-porous glass nanocomposite. Double peaks were found on the imaginary part of ac magnetization which were accompanied with double steps on the real part. The lower-temperature anomalies in ac magnetization differed noticeably when they were obtained upon cooling and warming. The double peaks were treated as two phase transitions in the vortex system: the liquid-solid transition which occurs close to the onset of superconductivity and solid-solid one which is triggered by superconductivity in confined lead islands.     

Magnetic circular dichroism of [Co/Pd] and [CoB/Pd] multilayered films

Magnetic circular dichroism (MCD) and X-ray absorption spectra (XAS) at the Co L_2,3-edge of [Co/Pd]₂₀ and [CoB/Pd]₂₀ multilayered films, which were fabricated at 260 °C with different magnetic layer thicknesses (δ), have been measured. The lineshapes of XAS–MCD show that the electronic state of Co 3d of the films hardly changes even when sputtered at higher temperatures. The expectation values of orbital and spin angular momentum (〈L_z〉 and 〈S_z〉) are estimated using the sum rule, and it is found that 〈L_z〉/〈S_z〉 in δ<0.5 nm is larger than that in δ>0.5 nm.     

MAGNETOMECHANICAL BEHAVIORS OF GIANT MAGNETOSTRICTIVE MATERIALS

The Laves phase alloy Tb-Dy-Fe, commercially known as Terfenol-D, exhibits the giant room-temperature magnetostriction at moderate field strength of a few kOe due to its combination of high magnetostriction and low magnetocrystalline anisotropic energy. Thus, this pseudobinary rare earth iron compound has found quite a number of applications such as in magnetomechanical transducers, actuators and adaptive vibration control systems. The simultaneous measurements of magnetostriction and magnetization at various fixed compressive pre-stresses applied in the axial direction for Tb0.3Dy0.7Fe1.95 samples are presented. The results show that the magnetostriction increases with increasing compressive stress until it reaches 1742 ×10^6 under 25 MPa, so does the coercive magnetic field. And the hysteresis loop area for magnetization and magnetostriction also increases with the increment of applied compressive stresses. But the maximum magnetic susceptibility χ（dM/dH） is obtained under zero stress field and the strain derivative dλ/dH increases to the highest amplitude of 0.039×10^-6 A^-1m at a stress level of 5 MPa. In the strain versus magnetization intensity curve, the initial fiat stage mainly consisting of a 180° domain wall motion becomes shorter with increasing stress. It means more initial domains are driven to the transversal direction under the compressive stress before magnetization, which is consistent with the improvement of the magnetostriction.     

Magnetization relaxation of uniaxial anisotropic ferromagnetic particles with linear reaction dynamics driven by DC/AC magnetic field

The response of uniaxial anisotropic ferromagnetic particles with linear reaction dynamics subjected to alternating current(AC) or direct current(DC) bias magnetic field is evaluated by the reaction–diffusion equation for the probability distribution function of the molecular concentration in the spherical coordinate system. The magnetization function and the probability distribution function of the magnetic particles in the reaction system are derived by using the Legendre polynomials and Laplace transform. We discuss the characteristics of magnetization and probability distribution of the magnetic particles with different anisotropic parameters driven by a DC and AC magnetic fields, respectively. It is shown that both the magnetization and the probability distribution decrease with time increasing due to the reaction process. The uniformity of the probability distribution and the amplitude of the magnetization are both affected by the anisotropic parameters.Meanwhile, the difference between the case with linear reaction dynamics and the non-reaction case is discussed.     

Magnetostriction and spin reorientation in ferromagnetic Laves phase Pr(Ga_xFe_(1-x))_(1.9) compounds

The magnetostriction, magnetization, and spin reorientation properties in Pr(Ga_xFe_(1-x))_(1.9) alloys have been investigated by high-precision x-ray diffraction(XRD) step scanning, magnetization, and Mo¨ssbauer spectra measurements. Ga substitution reduces the magnetostriction(λ_(||)) with magnetic field H ≥ 8 kOe(1 Oe = 1.33322×10~2 Pa), but it also increases the λ|| value when H ≤ 8 kOe at 5 K. Spin-reorientations(SR) are observed in all the alloys investigated, as determined by the step scanned XRD, Mo¨ssbauer spectra, and the abnormal temperature dependence of magnetization. An increase of the spin reorientation temperature(T_(SR)) due to Ga substitution is found in the phase diagram, which is different from the decrease one in many R(T_x Fe_(1-x))_(1.9)(T = Co, Al, Mn) alloys. The present work provides a method to control the easy magnetization direction(EMD) or T_(SR) for developing an anisotropic compensation system.     

Growth and micromagnetic simulation of magnetite nanoparticles

Magnetite nanoparticles with different sizes and different assemblies were synthesized via hydrothermal method.Micromagnetic simulation shows the magnetite nanocubes with different sizes have different energy states,which determines the assembly mode.Magnetite nanocubes with the side length of 30-60 nm tended to be dispersed while both nanochains and dispersed nanoparticles were found to grow for the nanocubes with the side length less than 30 nm,which can be explained in the fact that the above two assembl...     

Strongly in-plane magnetized FePt thin film on ultrathin Fe underlayer

The effect of ultrathin Fe underlayer on the strong in-plane magnetization of FePt magnetic thin film was investigated. This FePt thin film could be attained using the ultrathin Fe underlayer with 1 nm thickness. The in-plane coercivity of FePt film with 20 nm thickness grown on ultrathin Fe underlayer was high up to 7400 Oe. However, its out-of-plane coercivity was extremely low to 350 Oe compared to those of FePt thin films in other conventional studies. This result indicates that FePt thin film was strongly in-plane magnetized by ultrathin Fe underlayer. The strong ordering phase transformation kinetics and the high texturing to in-plane direction of the FePt thin film by ultrathin Fe underlayer were confirmed by Kinetics Monte Carlo (KMC) simulation and XRD measurement result, respectively. It is also supposed that they are associated with the reduction of an interface free energy between the film and the substrate with an introduction of ultrathin underlayer.