The relative signs of phosphorus-proton nuclear magnetic resonance coupling constants
Phosphorous-proton nuclear magnetic resonance coupling constants - sign determination
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Phosphorous-proton nuclear magnetic resonance coupling constants - sign determination
Relative signs and magnitudes of proton nuclear magnetic resonance coupling constants in phosphorus compounds
We are developing laser-polarized noble gas nuclear magnetic resonance (NMR) as a novel biomedical imaging tool for ground-based and eventually space-based application. This emerging multidisciplinary technology enables high-resolution gas-space magnetic resonance imaging (MRI) (e.g., of lung ventilation) as well as studies of tissue perfusion. In addition, laser-polarized noble gases (He-3 and Xe-129) do not require a large magnetic field for sensitive detection, opening the door to practical MRI at very low magnetic fields with an open, lightweight, and low-power device. We are pursuing two specific aims in this research. The first aim is to develop a low-field (< 0.01 T) instrument for noble gas MRI of humans, and the second aim is to develop functional MRI of the lung using laser-polarized Xe-129 and related techniques.
The Natural Products Magnetic Resonance Database or NP-MRD (https://np-mrd.org) is a comprehensive, freely accessible, web-based resource for the deposition, distribution, extraction and retrieval of nuclear magnetic resonance (NMR) data on natural products. The NP-MRD was initially established to support compound de-replication and data dissemination for the natural products community. However, that community has now grown to include many users from the metabolomics, microbiomics, foodomics and nutrition science fields. Indeed, since its launch in 2021, the NP-MRD has expanded enormously in size, scope and popularity. The current version of NP-MRD now contains nearly 7X more compounds (281,859 vs. 40,908) and 7X more NMR spectra (5.1 million vs. 817,000) than the first release. More specifically, an additional 4.6 million predicted spectra and another 11,000 spectra simulated from experimental chemical shifts were deposited into the database. Likewise, the number of NMR raw spectral data depositions has grown from a 165 spectra per year to more than 10,000 per year. As a result of this expansion, the number of monthly webpage views has grown from 55 to 20,000 and the number of monthly visitors has increased from 7 to 2500. To address this growth and to better support the expanding needs of its diverse community of users, many additional improvements to the NP-MRD have been made. These include significant enhancements to the data submission process, important improvements to the visualization and display of NMR spectra, notable updates to the database’s spectral search utilities and useful additions to support better NMR spectral analysis/prediction. Significant efforts have also been undertaken to remediate and update many of NP-MRD’s database entries. This manuscript describes these database improvements and expansion efforts, along with how they have been implemented and what future upgrades to the NP-MRD are planned.
We demonstrate a minimally invasive nuclear magnetic resonance (NMR) technique that enables determination of the surface-area-to-volume ratio (S/V) of soft porous materials from measurements of the diffusive exchange of laser-polarized 129Xe between gas in the pore space and 129Xe dissolved in the solid phase. We apply this NMR technique to porous polymer samples and find approximate agreement with destructive stereological measurements of S/V obtained with optical confocal microscopy. Potential applications of laser-polarized xenon interphase exchange NMR include measurements of in vivo lung function in humans and characterization of gas chromatography columns.
For decades, Nuclear Magnetic Resonance (NMR) spectroscopy has been utilized as a powerful tool in various scientific disciplines, most prominently in chemistry, to determine molecular structures or monitor reactions. While well established in various fields, NMR applications in astrobiology are still unclear. This work aims to explore the potential of NMR in astrobiology, highlighting strengths but also weaknesses. We illustrate capabilities of NMR with two applications: (1) recently developed methods for position-specific carbon isotope analysis of complex organics; and (2) well-established tools for performing quantitative compositional analysis of complex organic mixtures. By utilizing samples relevant to astrobiology, specifically the amino acid valine and analogue mixtures of organics, we showcase that molecules retain a source dependent and distinct intramolecular carbon isotope fingerprint. We demonstrate that compositional sample analysis provides an independent and complementary line of evidence pointing towards the origin of a molecule or mixture. Together, these NMR tools have the potential to support life detection efforts, and aid in distinguishing between biotic and abiotic samples. Finally, we discuss sensitivity, detection limits, the portability of NMR, and propose how integration with mass-spectrometry techniques will be imperative to enable more targeted and comprehensive analyses relevant to astrobiology, including in-situ analysis but also sample return missions.
STUDY DESIGN: Axial load-dependent changes in the lumbar spine of supine healthy volunteers were examined using a compression device compatible with magnetic resonance imaging. OBJECTIVE: To test two hypotheses: Axial loading of 50% body weight from shoulder to feet in supine posture 1) simulates the upright lumbar spine alignment and 2) decreases disc height significantly. SUMMARY OF BACKGROUND DATA: Axial compression on the lumbar spine has significantly narrowed the lumbar dural sac in patients with sciatica, neurogenic claudication or both. METHODS: Using a device compatible with magnetic resonance imaging, the lumbar spine of eight young volunteers, ages 22 to 36 years, was axially compressed with a force equivalent to 50% of body weight, approximating the normal load on the lumbar spine in upright posture. Sagittal lumbar magnetic resonance imaging was performed to measure intervertebral angle and disc height before and during compression. RESULTS: Each intervertebral angle before and during compression was as follows: T12-L1 (-0.8 degrees +/- 2.5 degrees and -1.5 degrees +/- 2.6 degrees ), L1-L2 (0.7 degrees +/- 1.4 degrees and 3.3 degrees +/- 2.9 degrees ), L2-L3 (4.7 degrees +/- 3.5 degrees and 7.3 degrees +/- 6 degrees ), L3-L4 (7.9 degrees +/- 2.4 degrees and 11.1 degrees +/- 4.6 degrees ), L4-L5 (14.3 degrees +/- 3.3 degrees and 14.9 degrees +/- 1.7 degrees ), L5-S1 (25.8 degrees +/- 5.2 degrees and 20.8 degrees +/- 6 degrees ), and L1-S1 (53.4 degrees +/- 11.9 degrees and 57.3 degrees +/- 16.7 degrees ). Negative values reflect kyphosis, and positive values reflect lordosis. A significant difference between values before and during compression was obtained at L3-L4 and L5-S1. There was a significant decrease in disc height only at L4-L5 during compression. CONCLUSIONS: The axial force of 50% body weight in supine posture simulates the upright lumbar spine morphologically. No change in intervertebral angle occurred at L4-L5. However, disc height at L4-L5 decreased significantly during compression.
Utilizing a helical magnet profile to enhance axion-photon conversion showed great promise in laboratory searches for high axion masses. We extend the mechanism, known as the axion-magnetic resonance (AMR), from laser experiments to axion helioscopes and demonstrate its potential in covering QCD axion parameter space. Specifically, we apply AMR to the CAST experiment legacy, make projections for the upcoming IAXO experiment, and assess its implications for both axion-like particles and QCD axions. We observe considerable improvement in the experiment’s sensitivity reach in all cases.
The far-infrared laser magnetic resonance spectra associated with both fine-structure transitions in (N-14)+ in its ground P-3 state have been recorded. This is the first laboratory observation of the J = 1 left arrow 0 transition and its frequency has been determined two orders of magnitude more accurately than previously. The remeasurement of the J = 2 left arrow 1 spectrum revealed a small error in the previous laboratory measurements. The fine-structure splittings (free of hyperfine interactions) determined in this work are (delta)E(sub 10) = 1461.13190 (61) GHz, (delta)E(sub 21) = 2459.38006 (37) GHz. Zero-field transition frequencies which include the effects of hyperfine structure have also been calculated. Refined values for the hyperfine constants and the g(sub J) factors have been obtained.
We pursued advanced technology development of laser-polarized noble gas nuclear magnetic resonance (NMR) as a novel biomedical imaging tool for ground-based and eventually space-based application. This new multidisciplinary technology enables high-resolution gas-space magnetic resonance imaging (MRI)-e.g., of lung ventilation-as well as studies of tissue perfusion. In addition, laser-polarized noble gases (3He and 129Xe) do not require a large magnetic field for sensitive detection, opening the door to practical MRI at very low magnetic fields with an open, lightweight, and low-power device. We pursued two technology development specific aims: (1) development of low-field (less than 0.01 T) noble gas MRI of humans; and (2) development of functional MRI of the lung using laser-polarized noble gas and related techniques.
Electron magnetic resonance measurements have been made at 9 GHz and at temperatures from 1.2 to 400 K and 35 GHz (300 K) on samples of fines and breccias from Apollo 11-16. Unsorted Apollo 16 fines (less than 1 mm) have Delta H (average) = 580 G and specific intensities that have the same range as fines from the other Apollo collections. The magnetic properties of the 'characteristic' resonance are not in accord with those of iron particles. On the bases of the properties of the 'characteristic' resonance as a function of temperature and Apollo site, laboratory heat treatments on synthetic materials and lunar crystalline rocks and a comparison with the 'characteristic' resonance of the resonance spectra of breccia specimens for which iron particle sizes have been determined from other measurements, it is suggested that some fraction (about 20%) of the 'characteristic' resonance is due to sub-micron particles of ferric oxide phases.
We are developing technology for laser-polarized noble gas nuclear magnetic resonance (NMR), with the aim of enabling it as a novel biomedical imaging tool for ground-based and eventually space-based application. This emerging multidisciplinary technology enables high-resolution gas-space magnetic resonance imaging (MRI)-e.g., of lung ventilation, perfusion, and gas-exchange. In addition, laser-polarized noble gases (3He and 1BXe) do not require a large magnetic field for sensitive NMR detection, opening the door to practical MRI with novel, open-access magnet designs at very low magnetic fields (and hence in confined spaces). We are pursuing two specific aims in this technology development program. The first aim is to develop an open-access, low-field (less than 0.01 T) instrument for MRI studies of human gas inhalation as a function of subject orientation, and the second aim is to develop functional imaging of the lung using laser-polarized He-3 and Xe-129.
For the purpose of in-situ planeatry exploration, such as chemical characterization of Martian surface materials by miniature instruments, we have developed miniature Magnetic Resonance Spectrometers (MRS) namely, Nuclear Magnetic Resonance (NMR) and Electron Paramagnetic Resonance (EPR) spectrometers at JPL.
A hypothesis is tested that exercise-induced magnetic resonance (MR) contrast shifts would relate to electromyography (EMG) amplitude if both measures reflect muscle use during exercise. Both magnetic resonance images (MRI) and EMG data were obtained for separate eccentric (ECC) and cocentric (CON) exercise of increasing intensity for seven subjects 30-32 yr old. CON and ECC actions caused increased integrated EMG (IEMG) and T2 values which were strongly related with relative resistance. The rate of increase and absolute value of both T2 and IEMG were found to be greater for CON than for ECC actions. For both actions IEMG and T2 were correlated. Data obtained suggest that surface IEMG accurately reflects the contractile behavior of muscle and exercise-induced increases in MRI T2 values reflect certain processes that scale with muscle use.
The application of resonant magnetic perturbations (RMPs) induces striated heat fluxes on the divertor plate in tokamaks. These striated heat fluxes were previously considered strike point splitting by the intersection between the divertor and predicted magnetic lobe structures. Recently, the existence of stationary 3D filaments has been observed for the first time in National Spherical Torus Experiment (NSTX) plasmas with toroidal mode number n = 3 RMPs. Magnetic field line tracing of these filaments from the midplane to the divertor is consistent with the quantity and the radial and toroidal location of striated heat fluxes observed on the divertor. This study suggests that divertor striated heat flux patterns are linked to these stationary filaments rather than to strike point splitting or magnetic lobe structures for NSTX. This finding will help guide future efforts to understand the heat flux striations in NSTX with RMPs in order to control and reduce the divertor peak heat flux.
Apollo 11 lunar samples spectral analysis, discussing Fe and Mn electron paramagnetic resonance and Al 27 nuclear magnetic resonance spectra
Continuous-wave Nuclear Magnetic Resonance (CW-NMR) operated in constant-current mode has served as a foundational technique for polarization measurement in solid-state dynamically polarized targets within nuclear and high-energy physics experiments for several decades, and it remains an essential tool. Conventional Q-meter-based phase-sensitive detection is critical for precise real-time determination of target polarization during scattering runs. However, the accuracy and reliability of these measurements are frequently compromised by elevated noise levels, baseline drift, and systematic uncertainties arising from signal isolation and fitting, ultimately degrading the overall experimental figure of merit. In this work, we report the first successful application of neural network architectures to continuous-wave NMR polarization metrology. By leveraging advanced machine learning techniques for signal extraction and denoising, we achieve a substantial reduction of fitting uncertainties under a variety of realistic simulated and experimental conditions. These improvements translate directly into more robust real-time (online) polarization monitoring and higher precision in subsequent offline analysis. By reducing analysis-induced uncertainty, the resulting methodology can improve the effective figure of merit for scattering experiments employing dynamically polarized targets and provides a new toolset for NMR-based polarimetry in high-energy and nuclear physics.
The purpose of this research is to examine the value of magnetic resonance imaging (MRI) as a means of conducting kinematic studies of the hand for the purpose of EVA capability enhancement. After imaging the subject hand using a magnetic resonance scanner, the resulting 2D slices were reconstructed into a 3D model of the proximal phalanx of the left hand. Using the coordinates of several landmark positions, one is then able to decompose the motion of the rigid body. MRI offers highly accurate measurements due to its tomographic nature without the problems associated with other imaging modalities for in vivo studies.