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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Gradient-based surface nuclear magnetic resonance for groundwater investigation

In medical magnetic resonance imaging, spatial localization (imaging) is based upon the application of controlled magnetic field gradients on top of the main magnetic field to spatially modulate the frequency and/or phase of the nuclear magnetic resonance (NMR) signal across the volume of investigation. In this work, we have applied similar physical principles to produce controlled magnetic field gradients during surface NMR-based groundwater investigations. In this approach, a gradient pulse of variable amplitude or duration is applied immediately after the excitation pulse to cause predictable phase encoding of the NMR signal as a function of depth. This approach is also applicable to emerging surface NMR detection methods that use a prepolarization field with fast nonadiabatic turn-off to generate detectable NMR signals from the shallow subsurface. In this case, the gradient pulse is applied after terminating the prepolarization field and provides a heretofore unavailable means of localizing the NMR response as a function of depth. The application of gradients can also be combined with tip-angle-based modulation to yield higher imaging resolution than can be achieved through either gradient- or tip-angle-based imaging alone. We implemented this new gradient-based capability into a surface NMR gradient generation accessory that is compatible with the GMR-Flex instrument and developed surface NMR-specific forward modeling and linear inverse models. We validated the accuracy of this novel gradient-based sNMR technology using computer simulations, experiments using a small pool filled with a discrete layer of bulk water, and field experiments at well-characterized groundwater test sites along Ebey Island, WA, and Larned, KS. The gradient-based sNMR imaging observations were compared with high-resolution direct push NMR results observed at these sites. The results of computer simulations and field experiments indicate improvements in both the detection (signal-to-noise ratio) and spatial resolution of shallow subsurface water content using gradient-based surface NMR, compared with traditional surface NMR imaging methods.

Geochemistry & Geophysics↗
DOE OSTI2023

High-Field Nuclear Magnetic Resonance (NMR) Spectroscopy

Nuclear magnetic resonance (NMR) is a non-destructive spectroscopic technique that provides detailed molecular structural information via the electronic environments of nuclei in materials. Higher magnetic field strengths enhance the resolution of NMR, enabling discernment of unique chemical environments that might not be possible at low fields. Herein, the application of high-field NMR to catalyst and electrochemical system characterization are detailed. A brief description of NMR and quadrupolar nuclei are presented where the effects of magnetic field are described. Examples of high-field NMR are provided with particular focus on employing NMR to elucidate the structure of oxides of aluminum and vanadium for catalyst applications. The role of high-field NMR to conduct challenging experiments for energy storage materials is also explored and numerous other nuclei which require high-field measurement are briefly summarized.

Catalyst, Spectroscopy, NMR, High-field, Quadrupol↗
NASA NTRS1972

Nuclear magnetic resonance properties of lunar samples.

Nuclear magnetic resonance spectra of Na-23, Al-27, and P-31 in fines samples 10084,60 and 14163,168 and in crystalline rock samples 12021,55 and 14321,166, have been recorded over a range of frequencies up to 20 MHz. A shift in the field at which maximum absorption occurs for all of the spectra relative to the field at which maximum absorption occurs for terrestrial analogues is attributed to a sample-dependent magnetic field at the Na, Al, and P sites opposing the laboratory field. The magnitude of these fields internal to the samples is sample dependent and varies from 5 to 10 G. These fields do not correlate with the iron content of the samples. However, the presence of single-domain particles of iron distributed throughout the plagioclase fraction that contains the principal fraction of Na and Al is inferred from electron magnetic resonance spectra shapes.

Kline, D.↗
DOE OSTI2025

Precipitation of gadolinium from magnetic resonance imaging contrast agents may be the Brass tacks of toxicity

The formation of gadolinium-rich nanoparticles in multiple tissues from intravenous magnetic resonance imaging contrast agents may be the initial step in rare earth metallosis. The mechanism of gadolinium-induced diseases is poorly understood, as is how these characteristic nanoparticles are formed. Gadolinium deposition has been observed with all magnetic resonance imaging contrast agent brands. Aside from endogenous metals and acidic conditions, little attention has been paid to the role of the biological milieu in the degradation of magnetic resonance imaging contrast agents into nanoparticles. Herein, we describe the decomposition of the commercial magnetic resonance imaging contrast agents Omniscan and Dotarem in the presence of oxalic acid, a well-known endogenous compound. Omniscan dechelated rapidly and preluded measurement by the means available, while Dotarem underwent a two-step decomposition process. The decomposition of both magnetic resonance imaging contrast agents by oxalic acid formed gadolinium oxalate (Gd 2 [C 2 O 4 ] 3 , Gd 2 Ox 3 ). Furthermore, both observed steps of the Dotarem reaction involved the associative addition of oxalic acid. Adding protein (bovine serum albumin) increased the rate of dechelation. Displacement reactions could occur at lysosomal pH. Through these studies, we have demonstrated that magnetic resonance imaging contrast agents can be dissociated by endogenous molecules, thus illustrating a metric by which gadolinium-based contrast agents (GBCAs) might be destabilized in vivo.

Gadodiamide↗
DOE OSTI2026

Impact of Resonant Magnetic Perturbations on the Toroidal Location of the Runaway Electron Final Loss Strike Point

It is demonstrated that the peak toroidal impact phase of the post-disruption runaway electrons (REs) can be varied shot-to-shot by means of applied static non-axisymmetric (3D) magnetic fields, or resonant magnetic perturbations (RMPs). In the experiments, high-current (500 kA), purged RE plateaus (i.e. low impurity post-disruption plasmas with current carried completely by REs) were terminated on the DIII-D tokamak center post (CP). The global toroidal impact peak of the REs appears to be dominantly set by the toroidal phase of a wall-locked tearing mode, typically (m/n) = (2/1), but sometimes (m/n) = (3/2). In the absence of external RMP, the locked mode reliably locks close to a preferred toroidal phase Φ ≃ 75◦ probably set by intrinsic error fields. With applied RMP, the locked mode and RE impact phase is pushed to a new location. When the tearing mode is (m/n) = (2/1), the phase is well controlled and tracks the applied RMP phase, but in the case of an (m/n) = (3/2) tearing mode, the new phase location is not well controlled. These results could have application in ITER and other fusion power plant (FPP) - sized tokamaks as a method for spreading disruption first wall damage from REs

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Roadmap on nanoscale magnetic resonance imaging

Abstract The field of nanoscale magnetic resonance imaging (NanoMRI) was started 30 years ago. It was motivated by the desire to image single molecules and molecular assemblies, such as proteins and virus particles, with near-atomic spatial resolution and on a length scale of 100 nm. Over the years, the NanoMRI field has also expanded to include the goal of useful high-resolution nuclear magnetic resonance (NMR) spectroscopy of molecules under ambient conditions, including samples up to the micron-scale. The realization of these goals requires the development of spin detection techniques that are many orders of magnitude more sensitive than conventional NMR and MRI, capable of detecting and controlling nanoscale ensembles of spins. Over the years, a number of different technical approaches to NanoMRI have emerged, each possessing a distinct set of capabilities for basic and applied areas of science. The goal of this roadmap article is to report the current state of the art in NanoMRI technologies, outline the areas where they are poised to have impact, identify the challenges that lie ahead, and propose methods to meet these challenges. This roadmap also shows how developments in NanoMRI techniques can lead to breakthroughs in emerging quantum science and technology applications.

Budakian, Raffi↗
DOE OSTI2020

Identification of preferred multimodal ligand‐binding regions on IgG1 F C using nuclear magnetic resonance and molecular dynamics simulations

Abstract In this study, the binding of multimodal chromatographic ligands to the IgG1 F C domain were studied using nuclear magnetic resonance and molecular dynamics simulations. Nuclear magnetic resonance experiments carried out with chromatographic ligands and a perdeuterated 15 N‐labeled F C domain indicated that while single‐mode ion exchange ligands interacted very weakly throughout the F C surface, multimodal ligands containing negatively charged and aromatic moieties interacted with specific clusters of residues with relatively high affinity, forming distinct binding regions on the F C . The multimodal ligand‐binding sites on the F C were concentrated in the hinge region and near the interface of the C H 2 and C H 3 domains. Furthermore, the multimodal binding sites were primarily composed of positively charged, polar, and aliphatic residues in these regions, with histidine residues exhibiting some of the strongest binding affinities with the multimodal ligand. Interestingly, comparison of protein surface property data with ligand interaction sites indicated that the patch analysis on F C corroborated molecular‐level binding information obtained from the nuclear magnetic resonance experiments. Finally, molecular dynamics simulation results were shown to be qualitatively consistent with the nuclear magnetic resonance results and to provide further insights into the binding mechanisms. An important contribution to multimodal ligand‐F C binding in these preferred regions was shown to be electrostatic interactions and π–π stacking of surface‐exposed histidines with the ligands. This combined biophysical and simulation approach has provided a deeper molecular‐level understanding of multimodal ligand–F C interactions and sets the stage for future analyses of even more complex biotherapeutics.

Gudhka, Ronak B.↗
NASA NTRS2010

Reducing Field Distortion in Magnetic Resonance Imaging

A concept for a magnetic resonance imaging (MRI) system that would utilize a relatively weak magnetic field provides for several design features that differ significantly from the corresponding features of conventional MRI systems. Notable among these features are a magnetic-field configuration that reduces (relative to the conventional configuration) distortion and blurring of the image, the use of a superconducting quantum interference device (SQUID) magnetometer as the detector, and an imaging procedure suited for the unconventional field configuration and sensor. In a typical application of MRI, a radio-frequency pulse is used to excite precession of the magnetic moments of protons in an applied magnetic field, and the decaying precession is detected for a short time following the pulse. The precession occurs at a resonance frequency proportional to the strengths of the magnetic field and the proton magnetic moment. The magnetic field is configured to vary with position in a known way; hence, by virtue of the aforesaid proportionality, the resonance frequency varies with position in a known way. In other words, position is encoded as resonance frequency. MRI using magnetic fields weaker than those of conventional MRI offers several advantages, including cheaper and smaller equipment, greater compatibility with metallic objects, and higher image quality because of low susceptibility distortion and enhanced spin-lattice-relaxation- time contrast. SQUID MRI is being developed into a practical MRI method for applied magnetic flux densities of the order of only 100 T

Eom, Byeong Ho↗
DOE OSTI2022

Operando nuclear magnetic resonance rotor insert

A magic angle sample spinning nuclear magnetic resonance system including a housing, a cryogenic fluid in the housing, a magnet in the housing, a probe in the housing, a magic angle sample spinning insert in the probe, a sample battery in the magic angle sample spinning insert, a photovoltaic cell in the magic angle sample spinning insert wherein the photovoltaic cell is connected to the sample battery, an optic fiber operatively connected to the photovoltaic cell, and a laser operatively connected to the optic fiber wherein the laser provides power to charge the sample battery during the magic angle sample spinning nuclear magnetic resonance.

Marple, Maxwell↗
DOE OSTI2025

Neural Network Analysis of Nuclear Magnetic Resonance and Infrared Spectra

Nuclear magnetic resonance (NMR) spectroscopy and infrared (IR) spectroscopy are powerful chemical characterization techniques with broad general usage. However, the manual evaluation of the resulting spectra is time-consuming and requires significant expertise, preventing insights from being used in real-time applications. With recent advances in computation and artificial intelligence (AI), new tools are available for automating spectral interpretation. In this work, machine learning (ML) algorithms using 1-dimensional convolutional neural networks (CNNs) were applied to identify common functional groups from spectral information. Raw spectra were collected virtually from the Human Metabolome Database (HMDB) and National Institute of Standards and Technology (NIST) Chemistry WebBook and processed into a suitable standard. Algorithm design was tailored to best fit the nature of the problem, with built-in flexibility to accommodate relevant parameters beyond the raw spectral input, specifically solvent identity and magnetic frequency for NMR. The predictive capability of the algorithm in identifying functional groups is displayed in several examples. This methodology has been compiled into a code repository and could easily be modified to adapt alternative data sources, including other spectrum types. To mitigate overfitting, a common problem in mathematical modeling where overfamiliarity with training data produces trends that are not representative of the general data, a novel metric was developed, referred to as Accufit. Accufit includes a parameter that penalizes substantial differences in the training accuracy and the accuracy of an independent validation set. Examples are presented showing the effectiveness of Accufit in maintaining the model’s predictive capability while controlling the overfitting when used as a custom metric for hyperparameter tuning.

Sturgill, James↗
DOE OSTI2021

Design and evaluation of an open-source, conformable skin-cooling system for body magnetic resonance guided focused ultrasound treatments

Magnetic resonance guided focused ultrasound (MRgFUS) treatment of tumors uses inter-sonication delays to allow heat to dissipate from the skin and other near-field tissues. Despite inter-sonication delays, treatment of tumors close to the skin risks skin burns. This work has designed and evaluated an open-source, conformable, skin-cooling system for body MRgFUS treatments to reduce skin burns and enable ablation closer to the skin. A MR-compatible skin cooling system is described that features a conformable skin-cooling pad assembly with feedback control allowing continuous flow and pressure maintenance during the procedure. System performance was evaluated with hydrophone, phantom and in vivo porcine studies. Sonications were performed 10 and 5 mm from the skin surface under both control and forced convective skin-cooling conditions. 3D MR temperature imaging was acquired in real time and the accumulated thermal dose volume was measured. Gross analysis of the skin post-sonication was further performed. Device conformability was demonstrated at several body locations. Hydrophone studies demonstrated no beam aberration, but a 5–12% reduction of the peak pressure due to the presence of the skin-cooling pad assembly in the acoustic near field. Phantom evaluation demonstrated there is no MR temperature imaging precision reduction or any other artifacts present due to the coolant flow during MRgFUS sonication. The porcine studies demonstrated skin burns were reduced in size or eliminated when compared to the control condition. An open-source design of an MRgFUS active skin cooling system demonstrates device conformability with a reduction of skin burns while ablating superficial tissues.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1972

Magnetic phases in lunar material and their electron magnetic resonance spectra - Apollo 14.

Electron magnetic resonance spectra of soil samples 14163,68, 14148,31, 14149,47, 14156,31, and 14003,60, and of fragmental rocks 14301,66, 14303,42, 14310,68, 14311,36, 14318,36, and 14321,166 have been recorded at 9 and 35 GHz at 300 K and at 9 GHz at 130 K. One spectral component, the characteristic ferromagnetic resonance, of all the soil samples is 50 to 1000 times more intense than any other component in the soils or in the spectra of the rocks. The intensity of this component in Apollo 11, Apollo 12, and Apollo 14 soils varies only within one order of magnitude. It varies with depth below lunar surface but is not correlated with depth. The intensity does not have any correlation with the fraction of glassy particles nor with the fraction of anorthositic particles.

Weeks, R. A.↗
NASA NTRS1992

A comparison of neural network and fuzzy clustering techniques in segmenting magnetic resonance images of the brain

Magnetic resonance (MR) brain section images are segmented and then synthetically colored to give visual representations of the original data with three approaches: the literal and approximate fuzzy c-means unsupervised clustering algorithms and a supervised computational neural network, a dynamic multilayered perception trained with the cascade correlation learning algorithm. Initial clinical results are presented on both normal volunteers and selected patients with brain tumors surrounded by edema. Supervised and unsupervised segmentation techniques provide broadly similar results. Unsupervised fuzzy algorithms were visually observed to show better segmentation when compared with raw image data for volunteer studies. However, for a more complex segmentation problem with tumor/edema or cerebrospinal fluid boundary, where the tissues have similar MR relaxation behavior, inconsistency in rating among experts was observed.

Hall, Lawrence O.↗
NASA NTRS1972

Wide-range nuclear magnetic resonance detector

Compact and easy to use solid state nuclear magnetic resonance detector is designed for measuring field strength to 20 teslas in cryogenically cooled magnets. Extremely low noise and high sensitivity make detector applicable to nearly all types of analytical nuclear magnetic resonance measurements and can be used in high temperature and radiation environments.

Sturman, J. C.↗