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At least 1,477 records · Page 82

75 As NMR Studies of Magnetic Properties of the Magnetic Superconductor CaK(Fe 0.967 Ni 0.033 ) 4 As 4

We have carried out 75 As nuclear magnetic resonance (NMR) measurements to investigate a new antiferromagnetic (AFM) state, the so-called hedgehog spin-vortex crystal (SVC) in CaK(Fe 0.9 67 Ni 0.0 33 ) 4 As 4 . Here, the hedgehog SVC order is clearly demonstrated by the direct observation of internal magnetic induction along the c axis at the As1 site (close to K) and a zero net internal magnetic induction at the As2 site (close to Ca) below an AFM ordering temperature of T N ~ 45 K. In the superconducting (SC) state, the NMR signal intensity decreases suddenly just below T c ~ 20 K due to Meissner effect, evidencing the coexistence of the hedgehog SVC AFM and SC states from a microscopic point of view.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Characterization and inhibition of norovirus proteases of genogroups I and II using a fluorescence resonance energy transfer assay

Noroviruses are the major cause of food- or water-borne gastroenteritis outbreaks in humans. The norovirus protease that cleaves a large viral polyprotein to nonstructural proteins is essential for virus replication and an attractive target for antiviral drug development. Noroviruses show high genetic diversity with at least five genogroups, GI-GV, of which GI and GII are responsible for the majority of norovirus infections in humans. We cloned and expressed proteases of Norwalk virus (GI) and MD145 virus (GII) and characterized the enzymatic activities with fluorescence resonance energy transfer substrates. We demonstrated that the GI and GII proteases cleaved the substrates derived from the naturally occurring cleavage site in the open reading frame (ORF) 1 of G1 norovirus with similar efficiency, and that enzymatic activity of both proteases was inhibited by commercial protease inhibitors including chymostatin. The interaction of chymostatin to Norwalk virus protease was validated by nuclear magnetic resonance (NMR) spectroscopy.

60 APPLIED LIFE SCIENCES↗

SU-E-I-64: Transverse Relaxation Time in Methylene Protons of Non-Alcoholic Fatty Liver Disease Rats

Purpose: The aim of this study was to evaluate transverse relaxation time of methylene resonance compared to other lipid resonances. Methods: The examinations were performed using a 3.0 T scanner with a point — resolved spectroscopy (PRESS) sequence. Lipid relaxation time in a lipid phantom filled with canola oil was estimated considering repetition time (TR) as 6000 msec and echo time (TE) as 40 — 550 msec. For in vivo proton magnetic resonance spectroscopy ({sup 1}H — MRS), eight male Sprague — Dawley rats were given free access to a normal - chow (NC) and eight other male Sprague-Dawley rats were given free access to a high — fat (HF) diet. Both groups drank water ad libitum. T{sub 2} measurements in the rats’ livers were conducted at a fixed TR of 6000 msec and TE of 40 – 220 msec. Exponential curve fitting quality was calculated through the coefficients of determination (R{sup 2}). Results: A chemical analysis of phantom and liver was not performed but a T{sub 2} decay curve was acquired. The T{sub 2} relaxation time of methylene resonance was estimated as follows: NC rats, 37.07 ± 4.32 msec; HF rats, 31.43 ± 1.81 msec (p < 0.05). The extrapolated M0 values were higher in HF rats than in NC rats (p < 0.005). Conclusion: This study of {sup 1}H-MRS led to sufficient spectral resolution and signal — to — noise ratio differences to characterize all observable resonances for yielding T{sub 2} relaxation times of methylene resonance. {sup 1}H — MRS relaxation times may be useful for quantitative characterization of various liver diseases, including fatty liver disease. This study was supported by grant (2012-007883 and 2014R1A2A1A10050270) from the Mid-career Researcher Program through the NRF funded by Ministry of Science. In addition, this study was supported by the Industrial R&D of MOTIE/KEIT (10048997, Development of the core technology for integrated therapy devices based on real-time MRI-guided tumor tracking)

60 APPLIED LIFE SCIENCES↗

Study of Optical Properties of Polymeric Materials Subjected to Degradation

Results of a study on polyethylene, polyvinyl chloride, latex and polypropylene films by photocolorimetry are described. The polymeric films were subjected to destructive environmental factors as ozone, ultra-violet irradiation and γ-radiation. It is shown that these factors can lead to a reduction or an increase of transparency. This fact is due to the mechanisms of crosslinking, crystallization and destruction of macromolecules. Correlation between the photocolorimetry data and distributions of relaxation times of a nuclear magnetic resonance of protons in different sites of the polymeric network received earlier is established.

36 MATERIALS SCIENCE↗

Addressing a single spin in diamond with a macroscopic dielectric microwave cavity

We present a technique for addressing single nitrogen-vacancy (NV) center spins in diamond over macroscopic distances using a tunable dielectric microwave cavity. We demonstrate optically detected magnetic resonance (ODMR) for a single negatively charged NV center (NV{sup –}) in a nanodiamond (ND) located directly under the macroscopic microwave cavity. By moving the cavity relative to the ND, we record the ODMR signal as a function of position, mapping out the distribution of the cavity magnetic field along one axis. In addition, we argue that our system could be used to determine the orientation of the NV{sup –} major axis in a straightforward manner.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Itinerant G-type antiferromagnet SrCr 2 As 2 studied by magnetization, heat capacity, electrical resistivity, and NMR measurements

Here, the physical properties of itinerant antiferromagnetic (AFM) SrCr 2 As 2 with body-centered tetragonal ThCr 2 Si 2 structure were investigated in single crystalline and polycrystalline forms by electrical resistivity ρ, heat capacity C p , magnetic susceptibility χ versus temperature T, and magnetization M versus applied magnetic field H isotherm measurements as well as 75 As and 53 Cr nuclear magnetic resonance (NMR) measurements in the wide temperature range T = 1.6–900 K. From the χ(T) and 75 As NMR measurements, the G-type AFM state below T N = 615(15) K has been determined, consistent with the previous neutron-diffraction measurements. Direct evidence of magnetic ordering of the Cr spins was shown by the observation of the 53 Cr NMR spectrum under H = 0. From the χ( T) measurements on single-crystal SrCr 2 As 2 under the two different magnetic field directions H|| ab and H || c in the AFM state, the Cr ordered moments are shown to align along the c axis in the G-type AFM state. The metallic state is directly evidenced by the ρ, C p , and NMR measurements, and the density of states at the Fermi energy $\mathscr{D}$(E F ) in the AFM state is estimated to be 7.53 states/eV f.u. for both spin directions which is almost twice the bare $\mathscr{D}$(E F ) estimated from first-principles calculations, suggesting an enhancement of the conduction-carrier mass by a factor of two in the AFM state. The $\mathscr{D}$(E F ) is found to be nearly constant below at least 100 K and is independent of H. The ρ(T) is found to show T-linear behavior above T N and exhibits positive curvature below T N where significant loss of spin-disorder scattering upon magnetic ordering is observed. The resistivity anisotropy of the compound remains moderate ρ c /ρ a ~ 9 through most of the magnetically ordered phase but shows a rapid increase below 50 K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Chemical and magnetic structure of uranium/gadolinium multilayers studied by transmission

We present a multitechnique approach to study the detailed chemical and magnetic structure of uranium/gadolinium multilayers. At low temperature the saturation magnetization is found to be {approx}60% of that of bulk gadolinium. We address this problem, which is found in many other multilayers and suggest a model that may have wider applications. Transmission electron microscopy images indicate a microstructure, consistent with a columnar growth of Gd with crystallites of the order 20 {yields} 100{angstrom}. Off-specular neutron scattering is most strongly visible at saturation field, indicating that Gd moments are not aligned with the applied field. X-ray resonant magnetic scattering provides proof of coupled in-plane length scales for both the structural and the magnetic roughness. A detailed x-ray scattering study of both the specular and off-specular reflectivities has been used to investigate the in-plane structure of the multilayers. We calculate the roughness and transverse correlation cut-off length, {zeta}{sub x} = 120 {+-} 30{angstrom}, and present a simple model to determine an average column size of 27 {+-} 6{angstrom} and a reduction in the magnetic saturation of {approx}40%.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Nanoscale materials for hyperthermal theranostics

Recently, the use of nanoscale materials has attracted considerable attention with the aim of designing personalized therapeutic approaches that can enhance both spatial and temporal control over drug release, permeability, and uptake. Potential benefits to patients include the reduction of overall drug dosages, enabling the parallel delivery of different pharmaceuticals, and the possibility of enabling additional functionalities such as hyperthermia or deep-tissue imaging (LIF, PET, etc.) that complement and extend the efficacy of traditional chemotherapy and surgery. Our mini review is focused on an emerging class of nanometer-scale materials that can be used both to heat malignant tissue to reduce angiogenesis and DNA-repair while simultaneously offering complementary imaging capabilities based on radioemission, optical fluorescence, magnetic resonance, and photoacoustic methods.

60 APPLIED LIFE SCIENCES↗

Non-perturbative calculation of molecular magnetic properties within current-density functional theory

We present a novel implementation of Kohn–Sham density-functional theory utilizing London atomic orbitals as basis functions. External magnetic fields are treated non-perturbatively, which enable the study of both magnetic response properties and the effects of strong fields, using either standard density functionals or current-density functionals—the implementation is the first fully self-consistent implementation of the latter for molecules. Pilot applications are presented for the finite-field calculation of molecular magnetizabilities, hypermagnetizabilities, and nuclear magnetic resonance shielding constants, focusing on the impact of current-density functionals on the accuracy of the results. Existing current-density functionals based on the gauge-invariant vorticity are tested and found to be sensitive to numerical details of their implementation. Furthermore, when appropriately regularized, the resulting magnetic properties show no improvement over standard density-functional results. An advantage of the present implementation is the ability to apply density-functional theory to molecules in very strong magnetic fields, where the perturbative approach breaks down. Comparison with high accuracy full-configuration-interaction results show that the inadequacies of current-density approximations are exacerbated with increasing magnetic field strength. Standard density-functionals remain well behaved but fail to deliver high accuracy. The need for improved current-dependent density-functionals, and how they may be tested using the presented implementation, is discussed in light of our findings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Neutron resonance spin flippers: Static coils manufactured by electrical discharge machining

Radiofrequency spin flippers (RFSF) are key elements of Neutron Resonance Spin Echo (NRSE) spectrometers, which allow performing controlled manipulations of the beam polarization. We report on the design and test of a new type of RFSF which originality lies in the new manufacturing technique for the static coil. The largely automated procedure ensures reproducible construction as well as an excellent homogeneity of the neutron magnetic resonance condition over the coil volume. Two salient features of this concept are the large neutron window and the closure of the coil by a μ-metal yoke which prevents field leakage outside of the coil volume. These properties are essential for working with large beams and enable new applications with coils tilted with respect to the beam axis such as neutron Larmor diffraction or the study of dispersive excitations by inelastic NRSE.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

On the analysis and comparison of conformer-specific essential dynamics upon ligand binding to a protein

The native state of a protein consists of an equilibrium of conformational states on an energy landscape rather than existing as a single static state. The co-existence of conformers with different ligand-affinities in a dynamical equilibrium is the basis for the conformational selection model for ligand binding. In this context, the development of theoretical methods that allow us to analyze not only the structural changes but also changes in the fluctuation patterns between conformers will contribute to elucidate the differential properties acquired upon ligand binding. Molecular dynamics simulations can provide the required information to explore these features. Its use in combination with subsequent essential dynamics analysis allows separating large concerted conformational rearrangements from irrelevant fluctuations. We present a novel procedure to define the size and composition of essential dynamics subspaces associated with ligand-bound and ligand-free conformations. These definitions allow us to compare essential dynamics subspaces between different conformers. Our procedure attempts to emphasize the main similarities and differences between the different essential dynamics in an unbiased way. Essential dynamics subspaces associated to conformational transitions can also be analyzed. As a test case, we study the glutaminase interacting protein (GIP), composed of a single PDZ domain. Both GIP ligand-free state and glutaminase L peptide-bound states are analyzed. Our findings concerning the relative changes in the flexibility pattern upon binding are in good agreement with experimental Nuclear Magnetic Resonance data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Possible coexistence of antiferromagnetic and ferromagnetic spin fluctuations in the spin-triplet superconductor UTe 2 revealed by 125 Te NMR under pressure

We report a spin-triplet superconducting state mediated by ferromagnetic (FM) spin fluctuations has been suggested to occur in the newly discovered heavy-fermion superconductor UTe 2 . However, the recent neutron scattering measurements revealed the presence of antiferromagnetic (AFM) spin fluctuations in UTe 2 . Here, we report the 125 Te nuclear magnetic resonance studies of a single-crystal UTe 2 , suggesting the coexistence of FM and AFM spin fluctuations in UTe 2 . Owing to the two different Te sites in the compound, we conclude that the FM spin fluctuations are dominant within ladders and the AFM spin fluctuations originate from the interladder magnetic coupling. Although AFM spin fluctuations exist in the system, the FM spin fluctuations in the ladders may play an important role in the appearance of the spin-triplet superconducting state of UTe 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Analysis of antifoam agent degradation products in an evaporator

A wetting agent used to control foaming in the Chemical Processing Cell at the Defense Waste Processing Facility degrades to form compounds that could volatilize to form vapor exceeding the lower flammability limit. Three identified components of concern were hexamethyl disiloxane, trimethyl silanol, and propanal. Analytical methods were developed and implemented on a real waste sample to monitor degradation products. In this work, using standards, an extraction method with dichloromethane and analysis by gas chromatography-mass spectrometry and hydrogen nuclear magnetic resonance was developed. Both methods had detection limits less than 1 mg/L for the analytes.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Review of cardiovascular imaging in the journal of nuclear cardiology in 2016: Part 2 of 2—myocardial perfusion imaging

In 2016, the Journal of Nuclear Cardiology published many high-quality articles. Similar to previous years, we will summarize here a selection of the articles that were published in the Journal in 2016 to provide a concise review of the main advancements that have recently occurred in the field. In the first article of this two-part series we focused on publications dealing with positron emission tomography, computed tomography, and magnetic resonance. This review will place emphasis on myocardial perfusion imaging using single-photon emission-computed tomography summarizing advances in the field including in diagnosis, prognosis, and appropriate use.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Comprehensive Magnetic Study of Nanostructured Mesoporous Manganese Oxide Materials and Implications for Catalytic Behavior

Magnetic behavior of nanostructured mesoporous manganese oxide materials, designated UCT-1 and UCT-18, were studied using a combination of superconducting quantum interference device (SQUID) magnetometry and 55 Mn zero-field spin–echo nuclear magnetic resonance (NMR). Curie–Weiss fits to the magnetic susceptibility for the UCT-1 and UCT-18 samples calcined at 550 °C yielded paramagnetic moment values consistent with spin-only Mn 3+ ions in the α-Mn 2 O 3 phase ( S = 2, 4.90 μ B ). However, the magnetization and NMR results reported here clearly identify a small amount of the Mn 3 O 4 second phase (ferrimagnetic with T C ≈ 43 K) that does not appear in X-ray diffraction (XRD). We report the study resulted in the observation of fascinating magnetic behavior: (1) exchange bias, which occurs in cases where a ferromagnetic (or ferrimagnetic) phase forms a boundary with an antiferromagnetic phase and (2) a magnetic contribution attributed to uncompensated spins on the surfaces of the α-Mn 2 O 3 nanoparticles. The presence of Mn 3 O 4 and the interplay of Mn 3+ and Mn 2+ impact the catalytic properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Asymmetric magnetic proximity effect in a Pd/Co/Pd trilayer system

In spintronic devices consisting of ferromagnetic/nonmagnetic systems, the ferromagnet-induced magnetic moment in the adjacent nonmagnetic material significantly influences the spin transport properties. In this study, such magnetic proximity effect in a Pd/Co/Pd trilayer system is investigated by x-ray magnetic circular dichroism and x-ray resonant magnetic reflectivity, which enables magnetic characterizations with element and depth resolution. We observe that the total Pd magnetic moments induced at the top Co/Pd interface are significantly larger than the Pd moments at the bottom Pd/Co interface, whereas transmission electron microscopy and reflectivity analysis indicate the two interfaces are nearly identical structurally. Furthermore, such asymmetry in magnetic proximity effects could be important for understanding spin transport characteristics in ferromagnetic/nonmagnetic systems and its potential application to spin devices.

36 MATERIALS SCIENCE↗

A review of high magnetic moment thin films for microscale and nanotechnology applications

Here, the creation of large magnetic fields is a necessary component in many technologies, ranging from magnetic resonance imaging, electric motors and generators, and magnetic hard disk drives in information storage. This is typically done by inserting a ferromagnetic pole piece with a large magnetisation density M S in a solenoid. In addition to large M S , it is usually required or desired that the ferromagnet is magnetically soft and has a Curie temperature well above the operating temperature of the device. A variety of ferromagnetic materials are currently in use, ranging from FeCo alloys in, for example, hard disk drives, to rare earth metals operating at cryogenic temperatures in superconducting solenoids. These latter can exceed the limit on M S for transition metal alloys given by the Slater-Pauling curve. This article reviews different materials and concepts in use or proposed for technological applications that require a large M S , with an emphasis on nanoscale material systems, such as thin and ultra-thin films. Attention is also paid to other requirements or properties, such as the Curie temperature and magnetic softness. In a final summary, we evaluate the actual applicability of the discussed materials for use as pole tips in electromagnets, in particular, in nanoscale magnetic hard disk drive read-write heads; the technological advancement of the latter has been a very strong driving force in the development of the field of nanomagnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Depth-dependent magnetism in epitaxial MnSb thin films: effects of surface passivation and cleaning

Depth-dependent magnetism in MnSb(0001) epitaxial films has been studied by combining experimental methods with different surface specificities: polarized neutron reflectivity, x-ray magnetic circular dichroism (XMCD), x-ray resonant magnetic scattering and spin-polarized low energy electron microscopy (SPLEEM). A native oxide {approx}4.5 nm thick covers air-exposed samples which increases the film's coercivity. HCl etching efficiently removes this oxide and in situ surface treatment of etched samples enables surface magnetic contrast to be observed in SPLEEM. A thin Sb capping layer prevents oxidation and preserves ferromagnetism throughout the MnSb film. The interpretation of Mn L{sub 3,2} edge XMCD data is discussed.

36 MATERIALS SCIENCE↗