Nuclear Magnetic Resonance System Research Articles

Fast non-destructive measurement of intramuscular fat in Australian beef and lamb using nuclear magnetic resonance (NMR) technologies

Nuclear magnetic resonance (NMR) is an excellent technique for non-destructive analysis of meat because it has high accuracy, a linear response, and insignificant drift over time, which removes the need for recalibration. Furthermore, single-side NMR devices have open geometries that enable measurements of subsections of larger samples without taking sub-samples. Here we demonstrated long-term reproducibility in a benchtop device and the utility of a single-sided NMR device. We validated long-term reproducibility of NMR measurements of lamb intramuscular fat (IMF) in a commercial processor boning room years after the original model was created. It was hypothesised that the NMR IMF% model would retain precision and accuracy on independent validation. The root mean squared (RMS) error of prediction of lamb IMF was 0.79 %. The R2 between reference measurements, predicted IMF% was 0.74, the slope of the chemical IMF% vs NMR predictions was 0.989, and the bias was 0.53 % IMF. In the second example, we showed that IMF% measurements of high value beef striploins could be measured off a commercial processing belt and returned without damaging the product. It was hypothesised that a commercial prototype single-sided NMR system would predict IMF% in beef M. longissimus thoracis et lumborum. Here the RMS error of the correlation was 1.58 % IMF and R2 was 0.97. We believe the long-term stability, high accuracy, and nondestructive nature make unilateral NMR devices ideal for applications in the red meat industry where intramuscular fat contributes to product value.

Quantitative Blood Serum IVDr NMR Spectroscopy in Clinical Metabolomics of Cancer, Neurodegeneration, and Internal Medicine.

Despite more than two decades of metabolomics having joined the "omics" scenery, to date only a few novel blood metabolite biomarkers have found their way into the clinic. This is changing now by massive large-scale population metabolic phenotyping for both healthy and disease cohorts. Here, nuclear magnetic resonance (NMR) spectroscopy is a method of choice, as typical blood serum markers can be easily quantified and by knowledge of precise reference concentrations, more and more NMR-amenable biomarkers are established, moving NMR from research to clinical application. Besides customized approaches, to date two major commercial platforms have evolved based on either 600MHz (14.1 Tesla) or 500MHz (11.7 Tesla) high-field NMR systems. This chapter provides an introduction into the field of quantitative in vitro diagnostics research (IVDr) NMR at 600 MHzand its application within clinical research of cancer, neurodegeneration, and internal medicine.

Heat transfer-deformation characteristics and fracture damage analysis during LN2 freeze-thaw process in different rank coals

Exploring the heat transfer and deformation characteristics of coal bodies of different coal ranks during the freeze-thaw process is of significant importance for analyzing the fracture mechanism under the effect of liquid nitrogen (LN2). This experiment targets lignite, bituminite, and anthracite under both saturated and dry conditions. A real-time temperature-strain monitoring system was employed to observe the heat transfer and deformation characteristics of coal samples with different ranks throughout the freeze-thaw cycle. Additionally, a nuclear magnetic resonance system was utilized to examine the characteristics of pore damage before and after fracturing. The findings reveal: (1) During the freeze-thaw process, the absolute value of the temperature evolution rate for dry coal samples shows a negative correlation with coal rank, indicating a close link between temperature diffusion and intrinsic coal properties like oxygen content and porosity. (2) For saturated coal samples, the absolute value of the temperature change rate during freezing decreases as the coal rank increases, with the opposite trend observed during thawing. The phase change effect of water in fractures during freezing can enhance internal temperature diffusion in the coal body, while it acts as an inhibitor during thawing. (3) Based on the trend of strain fluctuations, the coal body deformation process during the freeze-thaw cycle can be segmented into seven stages, summarizing the general mechanisms of deformation failure. (4) Under saturated conditions, the amplitude of elastic deformation for each sample is negatively correlated with coal rank, with the sequence for dry coal samples being bituminite > anthracite > lignite. (5) The formation of a sealed space at the beginning of freezing is identified as a necessary condition for deformation during the freeze-thaw process, with the formation and strength of the sealed space depending on the temperature diffusion rate, moisture content, and inherent properties of the coal sample.

Control-enhanced non-Markovian quantum metrology

Quantum metrology promises unprecedented precision of parameter estimation, but it is often vulnerable to noise. While significant efforts have been devoted to improving the metrology performance in Markovian environments, practical control schemes specifically designed for non-Markovian noises are much less investigated. Here, we propose two control-enhanced quantum metrology schemes that are suitable for tackling general non-Markovian noises described by noise channels or noise spectra. We conduct experiments to verify the efficacy of these schemes on a nuclear magnetic resonance system. The experimental results involving multiqubit probes show that the parameter estimation precision can be greatly improved, significantly surpassing the standard quantum limit, with our schemes. At present, non-Markovian noises are widely encountered on diverse quantum devices, the proposed schemes are relevant for realistic metrology applications on these platforms.

An Investigation on the Pore Structure Characterization of Sandstone Using a Scanning Electron Microscope and an Online Nuclear Magnetic Resonance System

An Investigation on the Pore Structure Characterization of Sandstone Using a Scanning Electron Microscope and an Online Nuclear Magnetic Resonance System

Compact In Situ Electrochemical NMR with Wireless and Anti-interference Strategy in Multiscenario Applications.

The integration of electrochemistry with nuclear magnetic resonance (NMR) spectroscopy recently offers a powerful approach to understanding oxidative metabolism, detecting reactive intermediates, and predicting biological activities. This combination is particularly effective as electrochemical methods provide excellent mimics of metabolic processes, while NMR spectroscopy offers precise chemical analysis. NMR is already widely utilized in the quality control of pharmaceuticals, foods, and additives and in metabolomic studies. However, the introduction of additional and external connections into the magnet has posed challenges, leading to signal deterioration and limitations in routine measurements. Herein, we report an anti-interference compact in situ electrochemical NMR system (AICISENS). Through a wireless strategy, the compact design allows for the independent and stable operation of electrochemical NMR components with effective interference isolation. Thus, it opens an avenue toward easy integration into in situ platforms, applicable not only to laboratory settings but also to fieldwork. The operability, reliability, and versatility were validated with a series of biomimetic assessments, including measurements of microbial electrochemical systems, functional foods, and simulated drug metabolisms. The robust performance of AICISENS demonstrates its high potential as a powerful analytical tool across diverse applications.

Optimization of RF coil geometry for NMR/MRI applications using a genetic algorithm

A simulation method that employs a genetic algorithm (GA) for optimizing radio frequency (RF) coil geometry is developed to maximize signal intensity in nuclear magnetic resonance (NMR)/magnetic resonance imaging (MRI) applications. NMR/MRI has a wide range of applications, including medical imaging, and chemical and biological analysis to investigate the structure, dynamics, and interactions of molecules. However, NMR suffers from inherently low signal intensity, which depends on factors related to RF coil geometry. The investigation of coil geometry is crucial for improving signal intensity, leading to a reduction in the number of scans and a shorter total scan time. We have explored a better optimization method by modifying RF coil geometry to maximize signal intensity. The RF coil geometry comprises wire elements, each of which is a small vector representing the current flow, and GA chooses some of the prepared wire elements for optimization. The optimization of a substrate coil with a surface perpendicular to a static field was demonstrated for single-sided NMR system applications while considering various cylindrical sample diameters. A non-optimized and a GA-optimized substrate coil were compared through simulation and experiment to confirm the performance of the GA simulation. The maximum error between simulation and experiment was below 5%, with an average of less than 3%, confirming simulation reliability. The results indicated that the GA improved signal intensity by approximately 10% and reduced the necessary total scan time by around 20%. Finally, we explain the limitations and explore other potential applications of this GA-based simulation method.

Pore Water Conversion Characteristics during Methane Hydrate Formation: Insights from Low-Field Nuclear Magnetic Resonance (NMR) Measurements

Understanding the conversion characteristics of pore water is crucial for investigating the mechanism of hydrate accumulation; however, research in this area remains limited. This study conducted methane hydrate formation experiments in unconsolidated sands using an in-house low-field nuclear magnetic resonance (NMR) system. It focused on pore water conversion characteristics and influencing factors such as initial water saturation and sand particle sizes. Results show that methane hydrate formation enhances the homogeneity of the effective pore structure within sand samples. The conversion rate of pore water is significantly influenced by differences in heat and mass transfer capacity, decreasing as initial water saturation and sand size increase. Pore water cannot be fully converted into hydrates in unconsolidated sands. The final conversion ratio of pore water in water-poor sand samples nears 97%, while in water-rich sand samples, it is only 65.80%. Sand particle size variation has a negligible impact on the final conversion ratio of pore water, with ratios exceeding 94% across different particle sizes, differing by less than 3%.

Rapid Measurement of Magnetic Particle Concentrations in Wildland–Urban Interface Fire Ashes and Runoff Using Compact NMR

Wildfires are increasing in size, frequency, and intensity, releasing increased amounts of contaminants, including magnetic particles, into the surrounding environment. The aim of this paper is to develop a sensing method for the detection and quantification of magnetic particles (MPs) in fire ash and fire runoff using a compact Time-Domain Nuclear Magnetic Resonance (TD-NMR) system. The system is made up of custom NMR electronics with a compact and rugged permanent magnet array designed to enable future deployment as an in situ sensor. A signal-to-noise ratio of 25 dB was measured for a single scan, and sufficient data can be acquired in one minute. A linear relationship with an R <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> value of 0.9699 was established between transverse relaxation rates and MP concentrations in ash samples. This was validated by testing known dilutions of pure magnetite particles and showing that they fit within the same linear curve. The developed approach was then applied to detect MPs in surface water, where changes in the relaxation rates as high as 400% were observed before and after a wildfire event. MPs were removed from the surface water using a magnetic particle separator to confirm that observed changes were solely due to the presence of MPs. The compact NMR system can be used as a simple and rapid approach to track and quantify the concentrations of magnetic particles released from fire ashes and also from other sources such as discharges from coal ash and other combustion ashes.

PHYSICOCHEMICAL, PHYTOCHEMICAL, SPECTROSCOPIC (LCMS, AND H1-NMR) ANALYSIS OF EXTRACTS OF PLUMBAGO ZEYLANICA

Objective: This study aimed to find the physicochemical, phytochemical analysis, and spectroscopic analysis of solvent extracts of the roots of Plumbago zeylanica. Methods: The Soxhlet apparatus was employed to extract individual solvent extracts from the roots of P. zeylanica. In this study, solvent extracts made from the roots of P. zeylanica are tested for their physicochemical properties, phytochemical make-up, and spectroscopic properties. Spectroscopic investigations were conducted with the Bruker 400 MHz nuclear magnetic resonance (NMR) system, manufactured in Switzerland, as well as liquid chromatography mass spectroscopy (LC-MS), a mass spectrometer. Results: The physicochemical study of P. zeylanica roots revealed a moisture content of 10.51%, a total ash content of 2.06%, and an alcohol-soluble extract of 1.72%. In addition, many physical parameters such as color, taste, aroma, and nature were examined. The phytochemical analysis of P. zeylanica revealed the detection of significant phytonutrients, including tannins, carbohydrates, proteins, flavonoids, alkaloids, and sterols, in the root sample. The presence of tannins, carbohydrates, proteins, flavonoids, alkaloids, and sterols in extracts of P. zeylanica was established through spectroscopic analysis using H1-NMR and LCMS. Conclusion: The examination of solvent extracts obtained from the roots of P. zeylanica involved physicochemical, phytochemical, and spectroscopic techniques. This research revealed the presence of many biologically active metabolites, including alkaloids, amino acids, flavonoids, phenols, tannins, and terpenoids. The identification of these metabolites presents a promising prospect for substituting conventional chemical methods in the management of clinically pathogenic and phytopathogenic microorganisms.

Reliability Thermal Design, Simulation and Experimental Verification of Electronic Monitoring Unit for Magnetic Resonance System

The monitoring unit used in the nuclear magnetic resonance system, as an important unit of the system, faces a high thermal risk during its entire life cycle. This paper ensures the high efficiency and reliability of the thermal design of the product module from the two dimensions of structural design and device derating design. In order to reduce the risk of thermal design of electronic modules and comprehensively verify the effectiveness of thermal design of electronic modules, the design verification is carried out by combining simulation and experiment. In the simulation process, by establishing a thermal simulation model at the circuit board level, the crustal temperature of the core device is numerically calculated, and the index is compared with the thermal design index value and the test value, on the one hand, to verify the correctness of the simulation model. On the other hand, the validity of thermal design is verified. In the testing process, a thermal test platform for product modules is built, and the thermal characteristics test values of the core components of the module under extreme electrical conditions are obtained, and the corresponding conversion methods are used to predict the thermal performance and thermal design margin of the product at different altitudes. The results show that the electronic module can meet the thermal design requirements in terms of structural design and derating design of core components, and can ensure that the product module can work safely and reliably during the entire life cycle of the NMR system.

Experimental simulation of quantum superchannels

Simulating quantum physical processes has been one of the major motivations for quantum information science. Quantum channels, which are completely positive and trace preserving processes, are the standard mathematical language to describe quantum evolution, while in recent years quantum superchannels have emerged as the substantial extension. Superchannels capture effects of quantum memory and non-Markovianality more precisely, and have found broad applications in universal models, algorithm, metrology, discrimination tasks, as examples. Here, we report an experimental simulation of qubit superchannels in a nuclear magnetic resonance (NMR) system with high accuracy, based on a recently developed quantum algorithm for superchannel simulation. Our algorithm applies to arbitrary target superchannels, and our experiment shows the high quality of NMR simulators for near-term usage. Our approach can also be adapted to other experimental systems and demonstrates prospects for more applications of superchannels.

A reliable external calibration method for reaction monitoring with benchtop NMR.

Nuclear magnetic resonance (NMR) spectroscopy is a powerful analytical technique with the ability to acquire both quantitative and structurally insightful data for multiple components in a test sample. This makes NMR spectroscopy a desirable tool to understand, monitor, and optimize chemical transformations. While quantitative NMR (qNMR) approaches relying on internal standards are well-established, using an absolute external calibration scheme is beneficial for reaction monitoring as resonance overlap complications from an added reference material to the sample can be avoided. Particularly, this type of qNMR technique is of interest with benchtop NMR spectrometers as the likelihood of resonance overlap is only enhanced with the lower magnetic field strengths of the used permanent magnets. The included study describes a simple yet robust methodology to determine concentration conversion factors for NMR systems using single- and multi-analyte linear regression models. This approach is leveraged to investigate a pharmaceutically relevant amide coupling batch reaction. An on-line stopped-flow (i.e., interrupted-flow or paused-flow) benchtop NMR system was used to monitor both the 1,1'-carbonyldiimidazole (CDI) promoted acid activation and the amide coupling. The results highlight how quantitative measurements in benchtop NMR systems can provide valuable information and enable analysts to make decisions in real time.

A novel joint-less coil: promising unprecedented magnetic field stability to solve the persistent current mode issue in 2G-HTS magnet application

Closed coils fabricated using second generation high temperature superconducting (2G-HTS) coated conductors (CCs) are promising for superconducting magnets, which operating in persistent current mode (PCM) such as magnetic resonance imaging (MRI) and nuclear magnetic resonance (NMR) systems. However, the fabrication and application of superconducting joints for 2G-HTS CCs still pose a significant challenge. This paper reports a PCM joint-less 2G-HTS coil for capturing magnetic fields, which is called ‘Four Pancake Coil (FPC)’. A novel winding method was developed to form four pancake structure and effectively solved the closed-loop problem of 2G-HTS magnets. Meanwhile, the FPCs generated a 70.4 mT central magnetic field at 77 K and lasted for 57 d with a magnetic field drift rate of only 0.065 ppm h−1, which can satisfy the requirements of MRI magnets. In addition to the closed-loop characteristics of the FPC, the stacked magnet also provides expandability and ease of maintenance exchange. These advantages make it highly promising for the development of closed-loop 2G-HTS magnets.

Digital quantum simulation of NMR experiments.

Simulations of nuclear magnetic resonance (NMR) experiments can be an important tool for extracting information about molecular structure and optimizing experimental protocols but are often intractable on classical computers for large molecules such as proteins and for protocols such as zero-field NMR. We demonstrate the first quantum simulation of an NMR spectrum, computing the zero-field spectrum of the methyl group of acetonitrile using four qubits of a trapped-ion quantum computer. We reduce the sampling cost of the quantum simulation by an order of magnitude using compressed sensing techniques. We show how the intrinsic decoherence of NMR systems may enable the zero-field simulation of classically hard molecules on relatively near-term quantum hardware and discuss how the experimentally demonstrated quantum algorithm can be used to efficiently simulate scientifically and technologically relevant solid-state NMR experiments on more mature devices. Our work opens a practical application for quantum computation.

Reaction monitoring via benchtop nuclear magnetic resonance spectroscopy: A practical comparison of on-line stopped-flow and continuous-flow sampling methods.

The ability for nuclear magnetic resonance (NMR) spectroscopy to provide quantitative, structurally rich information makes this spectroscopic technique an attractive reaction monitoring tool. The practicality of NMR for this type of analysis has only increased in the recent years with the influx of commercially available benchtop NMR instruments and compatible flow systems. In this study, we aim to compare 19F NMR reaction profiles acquired under both on-line continuous-flow and stopped-flow sampling methods, with modern benchtop NMR instrumentation, and two reaction systems: a homogeneous imination reaction and a biphasic activation of a carboxylic acid to acyl fluoride. Reaction trends with higher data density can be acquired with on-line continuous-flow analyses, and this work highlights that representative reaction trends can be acquired without any correction when monitoring resonances with a shorter spin-lattice relaxation time (T1), and with the used flow conditions. On-line stopped-flow analyses resulted in representative reaction trends in all cases, including the monitoring of resonances with a long T1, without the need of any correction factors. The benefit of easier data analysis, however, comes with the cost of time, as the fresh reaction solution must be flowed into the NMR system, halted, and time must be provided for spins to become polarized in the instrument's external magnetic field prior to spectral measurement. Results for one of the reactions were additionally compared with the use of a high-field NMR.

Effect of gas hydrate formation and dissociation on porous media structure with clay particles

Natural gas hydrates are a potential future energy modality with the advantages of clean burning and large resource reserves and have attracted worldwide attention. Natural gas hydrates formation and dissociation impact the skeletal structure and mechanical properties of porous media sediments. In addition, there is a synergistic effect between the migration of fine clay particles in porous media and hydrate behavior. In this study, methane hydrate was examined in-situ using a low-field nuclear magnetic resonance system in the presence of two suspensions of clay particles with different stability. The results showed that clay particles impacted methane hydrate formation and dissociation and the pore structure of porous media. Hydrate nucleated preferentially in large pores, causing them to split into smaller pores; the presence of clay particles, especially illite, improved the water conversion rate. The results indicated that water content in large pores increased after hydrate dissociation but was discontinuous among different pores. When illite was present, the distribution was more continuous; when montmorillonite was present, the water distribution of the large pores was similar to that of the original state. This work increases our understanding of the kinetics, water migration, and pore structure alteration of methane hydrate formation and dissociation in sediments with clay particles and provides support for the safe and efficient development of natural gas hydrates.

Noncontact Evaluation of HTS Cylinder for Compact Cryogen-Free NMR

Herein, a compact cryogen-free nuclear magnetic resonance (NMR) system is developed using a stacked high-temperature superconducting (HTS) bulk system. To compensate for magnetic field uniformity, an HTS cylinder is installed inside the measurement space. The cylinder is wound with REBCO tapes placed on the surface of a copper cylinder. The uniformity of its critical current density is important for NMR signal detection. Such an operation requires an examination of the quality of the critical-current-density distribution of the cylinder. A noncontact measurement method is required for such an examination. When a magnetic field is applied, the superconductor exhibits a demagnetization effect. Moreover, if any defect exists in any part of the superconducting tape, that particular part would contain no demagnetization, thus disturbing the relevant magnetic field distribution. In this study, this phenomenon is investigated using DC and AC magnetic fields. The magnets and sensor are placed inside the HTS cylinder, and magnetic fields are applied to the HTS cylinder surface. The results confirm that the proposed method is effective and applicable for evaluating the critical-current distribution.

A Ramsey apparatus for proton spins in flowing water

We present an apparatus that applies Ramsey’s method of separated oscillatory fields to proton spins in water molecules. The setup consists of a water circuit, a spin polarizer, a magnetically shielded interaction region with various radio frequency elements, and a nuclear magnetic resonance system to measure the spin polarization. We show that this apparatus can be used for Rabi resonance measurements and to investigate magnetic and pseudomagnetic field effects in Ramsey-type precision measurements with a sensitivity below 100 pT.

In vivo quantitative MRI: T1 and T2 measurements of the human brain at 0.064 T

ObjectiveTo measure healthy brain {T}_{1} and {T}_{2} relaxation times at 0.064 T.Materials and methods{T}_{1} and {T}_{2} relaxation times were measured in vivo for 10 healthy volunteers using a 0.064 T magnetic resonance imaging (MRI) system and for 10 test samples on both the MRI and a separate 0.064 T nuclear magnetic resonance (NMR) system. In vivo {T}_{1} and {T}_{2} values are reported for white matter (WM), gray matter (GM), and cerebrospinal fluid (CSF) for automatic segmentation regions and manual regions of interest (ROIs).Results{T}_{1} sample measurements on the MRI system were within 10% of the NMR measurement for 9 samples, and one sample was within 11%. Eight {T}_{2} sample MRI measurements were within 25% of the NMR measurement, and the two longest {T}_{2} samples had more than 25% variation. Automatic segmentations generally resulted in larger {T}_{1} and {T}_{2} estimates than manual ROIs.Discussion{T}_{1} and {T}_{2} times for brain tissue were measured at 0.064 T. Test samples demonstrated accuracy in WM and GM ranges of values but underestimated long {T}_{2} in the CSF range. This work contributes to measuring quantitative MRI properties of the human body at a range of field strengths.