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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Effects of strain and quantum confinement in optically pumped nuclear magnetic resonance in GaAs: Interpretation guided by spin-dependent band structure calculations

A combined experimental-theoretical study of optically pumped NMR (OPNMR) has been performed in a GaAs/Al 0.1 Ga 0.9 As quantum well film with thermally induced biaxial strain. The photon energy dependence of the Ga-71 OPNMR signal was recorded at magnetic fields of 4.9 and 9.4 T at a temperature of 4.8-5.4 K. The data were compared to the nuclear spin polarization calculated from differential absorption to spin-up and spin-down states of the conduction band using a modified Pidgeon Brown model. Reasonable agreement between theory and experiment is obtained, facilitating assignment of features in the OPNMR energy dependence to specific interband transitions. Despite the approximations made in the quantum-mechanical model and the inexact correspondence between the experimental and calculated observables, the results provide insight into how effects of strain and quantum confinement are manifested in OPNMR signals

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Detection of magnetic resonance signals using a magnetoresistive sensor

A method and apparatus are described wherein a micro sample of a fluidic material may be assayed without sample contamination using NMR techniques, in combination with magnetoresistive sensors. The fluidic material to be assayed is first subject to pre-polarization, in one embodiment, by passage through a magnetic field. The magnetization of the fluidic material is then subject to an encoding process, in one embodiment an rf-induced inversion by passage through an adiabatic fast-passage module. Thereafter, the changes in magnetization are detected by a pair of solid-state magnetoresistive sensors arranged in gradiometer mode. Miniaturization is afforded by the close spacing of the various modules.

47 OTHER INSTRUMENTATION↗
DOE OSTI2014

SU-E-T-136: Dosimetric Robustness of a Magnetic Resonance Imaging Guided Radiation Therapy (MR-IGRT) System

Purpose: To test the radiation delivery robustness of the first MR-IGRT system using a commercial cylindrical diode array detector (ArcCHECK) and an ionization thimble chamber (Exradin A18). Methods: The MR-IGRT system is composed of three evenly spaced Co-60 sources on a rotating gantry located between two magnet halves. The collimator for each source consists of 30 doubly-focused leaf pairs that allow the system to deliver both conformal and intensity modulated (IMRT) treatment plans. The system's delivery robustness was tested over a span of 6 months from September 2013 through February 2014. This was achieved by repeatedly delivering 10 patient plans. These plans consisted of 2 conformal prostates, 2 IMRT prostates, 2 IMRT head and neck, 2 IMRT breast, 1 IMRT pancreas, and 1 IMRT bladder. The plans were generated with the system's treatment planning software. Once the plans were generated, quality assurance plans were created on a digital ArcCHECK dataset. The ArcCHECK used for testing was specially designed to be MR-compatible by moving the power supply outside of the magnetic field. The A18 ionization chamber was placed in a custom plastic plug insert in the center of the ArcCHECK. Gamma analysis was used with the ArcCHECK for relative dose evaluating both 3%/3mm and 2%/2mm. Absolute point dose was compared between ion chamber measurement and treatment plan. Results: The ArcCHECK passing rate remained constant over the 6 month period. The average passing rate for 3%/3mm and 2%/2mm analysis was 98.6% ± 0.7 and 88.8% ± 2.9, respectively. The ion chamber measurements showed little variation with an average percent difference between planned dose verses measured dose of 0.9% ± 0.7. Conclusion: Minimal differences were noted in the delivery of the 10 patient plans. Over a period that included acceptance testing, commissioning, and clinical deliveries, the MR-IGRT system remained consistent in radiation delivery.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Cu nuclear magnetic resonance study of charge and spin stripe order in La 1.875 Ba 0.125 CuO 4

In this paper, we present a Cu nuclear magnetic/quadrupole resonance study of the charge stripe ordered phase of LBCO, with detection of previously unobserved (“wiped-out”) signal. We show that spin-spin and spin-lattice relaxation rates are strongly enhanced in the charge ordered phase, explaining the apparent signal decrease in earlier investigations. The enhancement is caused by magnetic, rather than charge fluctuations, conclusively confirming the long-suspected assumption that spin fluctuations are responsible for the wipeout effect. Observation of the full Cu signal enables insight into the spin and charge dynamics of the stripe-ordered phase, and measurements in external magnetic fields provide information on the nature and suppression of spin fluctuations associated with charge order. Lastly, we find glassy spin dynamics, in agreement with previous work, and incommensurate static charge order with charge modulation amplitude similar to other cuprate compounds, suggesting that the amplitude of charge stripes is universal in the cuprates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Simulation study of fast ion losses associated with the rotating n = 1 resonant magnetic perturbations in KSTAR

In this work we describe a simulation framework for testing the fast ion loss mechanism associated with the experimentally observed beam ion losses when an externally applied toroidally rotating perturbed magnetic field is used to control edge localized modes in the KSTAR tokamak. The simulations reproduce the key qualitative features of neutral beam injection (NBI) ion detection by a fast ion loss detector. The NBI ion losses in the simulation mainly occur for passing particles due to orbit stochastization, which is caused by orbit resonance with the 3D field perturbations. The relative toroidal angle of NBI ion deposition to the orbit island determines the radial path of the particles between confinement or loss. The fast ion loss quantity depends on the toroidal angle rotation of the 3D field with respect to the beam deposition position. The averaged transport of toroidal canonical angular momentum reveals that linear and nonlinear resonance of the NBI ions within the 3D field are the main factors determining fast ion transport and loss.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Delivering Robust Proton-Only Sensing of Hyperpolarized [1,2- 13 C 2 ]-Pyruvate Using Broad-Spectral-Range Nuclear Magnetic Resonance Pulse Sequences

Hyperpolarized [1- 13 C]pyruvate is the leading hyperpolarized injectable contrast agent and is currently under evaluation in clinical trials for molecular imaging of metabolic diseases, including cardiovascular disease and cancer. One aspect limiting broad scalability of the technique is that hyperpolarized 13 C MRI requires specialized 13 C hardware and software that are not generally available on clinical MRI scanners, which employ proton-only detection. Here, we present an approach that uses pulse sequences to transfer 13 C hyperpolarization to methyl protons for detection of the 13 C– 13 C pyruvate singlet, employing proton-only excitation and detection only. The new pulse sequences are robust to the B 1 and B 0 magnetic field inhomogeneities. The work focuses on singlet-to-magnetization (S2M) and rotor-synchronized (R) pulses, both relying on trains of hard pulses with broad spectral width coverage designed to effectively transform hyperpolarized 13 C 2 -singlet hyperpolarization to 1 H polarization on the CH 3 group of [1,2- 13 C 2 ]pyruvate. Finally, this approach may enable a broader adoption of hyperpolarized MRI as a molecular imaging technique.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Magnetic Resonance Imaging (MRI) of skeletal muscles in astronauts after 9 days of space flight

Skylab data indicated that prolonged exposure of human subjects to microgravity environment causes significant muscle atrophy accompanied by reduced muscle strength and fatigue resistance. The objective of this study was to determine decrements in muscle size, if any, in the soleus and gastrocnemius muscles of male and female astronauts after 9 days of space flight. Methods: Eight astronauts, one female and seven male, between the ages of 31 and 59 years 59-84 kg in body weight were examined by MRI 2-3 times preflight within 16 days before launch, and 2 days, (n=6) and seven days (n=3) after landing. The right leg muscles (gastroc-soleus) were imaged with a lower extremity coil in magnets operating at 1.0 or 1.5 Tsela. The imaging protocol consisted of spin echo with a Tr of 0.70 - 1.5 sec. Thirty to forty 3-5 mm thick slices were acquired in 256 x 128 or 256 x 256 matrices. Acquisition time lasted 20-40 minutes. Multiple slices were measured by computerized planimetry. Results: Compared to the preflight, the cross-sectoral areas (CSA) of the soleus, gastrocnemius, and the leg, at 2 days after landing were reduced (at least p less than 0.05) 8.9 percent, 13.2 percent, and 9.5 percent respectively. The soleus and the leg of three astronauts evaluated at 7 days postflight did not show full recovery compared to the preflight values. Conclusions: It is concluded that l9-days of space flight may cause significant decreases in CSA of the leg muscles. The factors responsible for this loss need further determination.

Jaweed, M.↗
DOE OSTI2015

Laser surface modification of medical grade alloys for reduced heating in a magnetic resonance imaging environment

Nanoscale surface modification of medical grade metallic alloys was conducted using a neodymium-doped yttrium aluminum garnet laser-based dopant diffusion technique. The objective of this approach was to minimize the induction heating by reducing the absorbed radio frequency field. Such an approach is advantageous in that the dopant is diffused into the alloy and is not susceptible to detachment or spallation as would an externally applied coating, and is expected to not deteriorate the mechanical and electrical properties of the base alloy or device. Experiments were conducted using a controlled environment laser system with the ability to control laser properties (i.e., laser power, spot size, and irradiation time) and dopant characteristics (i.e., temperature, concentration, and pressure). The reflective and transmissive properties of both the doped and untreated samples were measured in a radio frequency (63.86 MHz) magnetic field using a system comprising a high power signal generator, a localized magnetic field source and sensor, and a signal analyzer. The results indicate an increase in the reflectivity of the laser-treated samples compared to untreated samples. The effect of reflectivity on the heating of the alloys is investigated through a mathematical model incorporating Maxwell’s equations and heat conduction.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Correlating Protein Dynamics and Catalytic Activity of a Model Hydrogenase Using Paramagnetic and Biological Nuclear Magnetic Resonance Spectroscopy

Rational catalyst design remains a significant challenge, with electronic structure, steric, and electrostatic effects known to contribute to activity. Recently, dynamics has been recognized as another factor that impacts catalysis, though identifying and predicting these effects has remained out of reach. Nickel-substituted rubredoxin (NiRd), a protein-based mimic of a hydrogenase enzyme, serves as a model catalytic system in which dynamics can be systematically investigated with respect to activity. While over 30 secondary-sphere mutants of NiRd have been shown to be catalytically active, no significant correlation was observed between the rates and catalytic overpotential or electronic structure, prompting questions about the protein-derived factors that modulate activity. Here, in this work, NMR spectroscopy was used to investigate the roles of substrate accessibility, protein dynamics, and protein stability in controlling catalysis. Significant paramagnetic effects from the nickel center (S = 1) isolate the methylene proton resonances of the metal-coordinating cysteine residues. The sensitivity of resonance positions and linewidths to local environment offers an opportunity to study dynamical molecular changes around the metal center with high resolution. Machine learning algorithms were employed to identify correlations between the catalytic activity and the paramagnetic NMR spectra. These analyses revealed spectroscopic features of specific cysteine protons that report on catalytic overpotential and increased turnover rates, which are further supported by the results obtained using high-field NMR techniques. Collectively, these studies indicate the potential for multifrequency NMR techniques to resolve key contributors to catalytic activity and highlight the importance of local and outer-sphere dynamics.

Protein Engineering↗
DOE OSTI2017

Molecular Level Structure and Dynamics of Electrolytes Using 17O Nuclear Magnetic Resonance Spectroscopy

Electrolytes help harness the energy from electrochemical processes by serving as solvents and transport media for redox-active ions. Molecular-level interactions between ionic solutes and solvent molecules – commonly referred to as solvation phenomena – give rise to many functional properties of electrolytes such as ionic conductivity, viscosity, and stability. It is critical to understand the evolution of solvation phenomena as a function of competing counterions and solvent mixtures to predict and design the optimal electrolyte for a target application. Probing oxygen environments is of great interest as oxygens are located at strategic molecular sites in battery solvents and are directly involved in inter- and intramolecular solvation interactions. NMR signals from 17O nuclei in battery electrolytes offer nondestructive bulk measurements of isotropic shielding, electric field gradient tensors, and transverse and longitudinal relaxation rates, which are excellent means for probing structure, bonding, and dynamics of both solute and solvent molecules. This article describes the use of 17O NMR spectroscopy in probing the solvation structures of various electrolyte systems ranging from transition metal ions in aqueous solution to lithium cations in organic solvent mixtures.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2025

Nuclear Magnetic Resonance ‐based fragment screen of the E3 ligase Fem‐1 homolog B

Abstract Targeted protein degradation using PROTACs (PROteolysis TArgeting Chimeras) has emerged as a transformative therapeutic strategy, largely relying on a small number of E3 ubiquitin ligases such as CRBN and VHL. However, resistance, toxicity, and poor oral bioavailability limit the utility of PROTACs and highlight the need to expand the E3 ligase toolbox. Fem‐1 homolog B (FEM1B) is a lesser‐known E3 ligase that offers a promising alternative due to its broad expression and ability to recognize diverse degron motifs. Here, we describe the development of a stable construct of FEM1B, the results of a protein‐observed NMR‐based fragment screen using this construct, and the X‐ray structures of some of the fragment hits when bound to the protein. From these results, new PROTACs utilizing FEM1B as the E3 ligase may be discovered, providing an alternative E3 ligase for targeted protein degradation.

Katinas, Jade M. [Department of Biochemistry Vande↗
DOE OSTI2019

Optimal lexicon of gadoxetic acid-enhanced magnetic resonance imaging for the diagnosis of hepatocellular carcinoma modified from LI-RADS

Purpose: To define the optimal lexicon of major imaging findings on gadoxetic acid-enhanced MRIs to diagnose HCC to improve diagnostic performance of the LI-RADS. Methods: Two hundred forty-one hepatic lesions (149 HCC, six other malignancies, 86 benign lesions) in 177 treatment-naïve patients at risk of HCC who underwent gadoxetic acid-MRIs from January 2013 to December 2015 were retrospectively reviewed using either histopathological or follow-up imaging findings as a standard reference. Two board-certified radiologists independently evaluated the imaging features and categorized the nodules based on the original and the following modified definitions in LI-RADS: (1) washout appearance in the portal venous phase (PVP) only versus that in the PVP or transitional phase, and (2) enhancing capsule only versus enhancing or non-enhancing capsule. Diagnostic performance and inter-observer agreement of LR-5 were assessed and compared between the algorithms using generalized estimation equation. Results: The sensitivity [79.2% (95% confidence interval 71.9, 85.0)] and accuracy [84.6% (79.5, 88.7)] of LR-5 were significantly higher for modified lexicon compared with original LI-RADS [60.4% (52.3, 67.9) and 73.9% (67.9, 79.0); P < 0.001 in all cases]. There was no significant difference in specificity [93.5% (86.2, 97.0) and 95.7% (89.0, 98.4); P = 0.153]. Subgroups of lesions < or ≥ 2 cm showed similar tendencies. Inter-observer agreement for capsule appearance was fair to moderate, whereas that for other imaging findings was good to excellent. Conclusions: Compared to original LI-RADS, LI-RADS with modified lexicon showed higher sensitivity for the diagnosis of HCC using gadoxetic acid-MRI, with similar specificity.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2017

Intracranial Aneurysms Treated by Flow-Diverting Stents: Long-Term Follow-Up with Contrast-Enhanced Magnetic Resonance Angiography

PurposeLong-term data on aneurysm treatment with flow-diverting stents are still sparse, and follow-up protocols differ widely between institutions. We present long-term results, with a focus on the usefulness of contrast-enhanced MR angiography (ceMRA).Materials and MethodsInterventions and follow-up imaging of patients with aneurysms treated by flow-diverting stents (“Pipeline,” “Silk” and “FRED” models) without additional coiling were analyzed. All MRI scans included dedicated two-phase ceMRA. Aneurysm occlusion rates, size of the aneurysmal sac and complications were evaluated on MRI and digital subtraction angiography (DSA), where available. The ability of ceMRA to depict aneurysm occlusion and stent patency was graded on a three-point scale.ResultsTwenty-five patients with 102 MRI scans were included. The median duration of follow-up was 830 days. Aneurysm occlusion rates were 52% at 3 months (10 of 19 patients), 72% at 6 months (18/25) and 84% overall (21/25). Shrinkage of the aneurysmal sac was found in 19 patients (76%) and in 12 cases to <50% of the original size (48%). CeMRA assessability of aneurysmal occlusion was graded as good in all cases. When compared to DSA (18 cases), ceMRA had a sensitivity of 100% and specificity of 91% regarding aneurysm remnant detection. Assessability of the stent lumen varied and was limited in most cases.ConclusionsFlow-diverter treatment achieves high occlusion rates and can cause major aneurysm shrinkage. CeMRA is highly valuable regarding imaging of the aneurysmal sac. There are limitations regarding the assessability of the stent lumen on ceMRA. Level of Evidence: Level 4, Case Series.

62 RADIOLOGY AND NUCLEAR MEDICINE↗