Karen Dos Santos , Gildas Bertho , Mathieu Baudin , Nicolas Giraud
{"title":"Glutamine: A key player in human metabolism as revealed by hyperpolarized magnetic resonance","authors":"Karen Dos Santos , Gildas Bertho , Mathieu Baudin , Nicolas Giraud","doi":"10.1016/j.pnmrs.2024.05.003","DOIUrl":"https://doi.org/10.1016/j.pnmrs.2024.05.003","url":null,"abstract":"<div><p>In recent years, there has been remarkable progress in the field of dissolution dynamic nuclear polarization (D-DNP). This method has shown significant potential for enhancing nuclear polarization by over 10,000 times, resulting in a substantial increase in sensitivity. The unprecedented signal enhancements achieved with D-DNP have opened new possibilities for <em>in vitro</em> analysis. This method enables the monitoring of structural and enzymatic kinetics with excellent time resolution at low concentrations. Furthermore, these advances can be straightforwardly translated to <em>in vivo</em> magnetic resonance imaging and magnetic resonance spectroscopy (MRI and MRS) experiments. D-DNP studies have used a range of <sup>13</sup>C labeled molecules to gain deeper insights into the cellular metabolic pathways and disease hallmarks. Over the last 15 years, D-DNP has been used to analyze glutamine, a key player in the cellular metabolism, involved in many diseases including cancer. Glutamine is the most abundant amino acid in blood plasma and the major carrier of nitrogen, and it is converted to glutamate inside the cell, where the latter is the most abundant amino acid. It has been shown that increased glutamine consumption by cells is a hallmark of tumor cancer metabolism. In this review, we first highlight the significance of glutamine in metabolism, providing an in-depth description of its use at the cellular level as well as its specific roles in various organs. Next, we present a comprehensive overview of the principles of D-DNP. Finally, we review the state of the art in D-DNP glutamine analysis and its application in oncology, neurology, and perfusion marker studies.</p></div>","PeriodicalId":20740,"journal":{"name":"Progress in Nuclear Magnetic Resonance Spectroscopy","volume":"144 ","pages":"Pages 15-39"},"PeriodicalIF":6.1,"publicationDate":"2024-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0079656524000128/pdfft?md5=8bf86ea44244de6298db1efc4910050a&pid=1-s2.0-S0079656524000128-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141250452","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Tom Meyer , Johannes Castelein , Jakob Schattenfroh , Anna Sophie Morr , Rafaela Vieira da Silva , Heiko Tzschätzsch , Rolf Reiter , Jing Guo , Ingolf Sack
{"title":"Magnetic resonance elastography in a nutshell: Tomographic imaging of soft tissue viscoelasticity for detecting and staging disease with a focus on inflammation","authors":"Tom Meyer , Johannes Castelein , Jakob Schattenfroh , Anna Sophie Morr , Rafaela Vieira da Silva , Heiko Tzschätzsch , Rolf Reiter , Jing Guo , Ingolf Sack","doi":"10.1016/j.pnmrs.2024.05.002","DOIUrl":"https://doi.org/10.1016/j.pnmrs.2024.05.002","url":null,"abstract":"<div><p>Magnetic resonance elastography (MRE) is an emerging clinical imaging modality for characterizing the viscoelastic properties of soft biological tissues. MRE shows great promise in the noninvasive diagnosis of various diseases, especially those associated with soft tissue changes involving the extracellular matrix, cell density, or fluid turnover including altered blood perfusion – all hallmarks of inflammation from early events to cancer development. This review covers the fundamental principles of measuring tissue viscoelasticity by MRE, which are based on the stimulation and encoding of shear waves and their conversion into parameter maps of mechanical properties by inverse problem solutions of the wave equation. Technical challenges posed by real-world biological tissue properties such as viscosity, heterogeneity, anisotropy, and nonlinear elastic behavior of tissues are discussed. Applications of MRE measurement in both humans and animal models are presented, with emphasis on the detection, characterization, and staging of diseases related to the cascade of biomechanical property changes from early to chronic inflammation in the liver and brain. Overall, MRE provides valuable insights into the biophysics of soft tissues for imaging-based detection and staging of inflammation-associated tissue changes.</p></div>","PeriodicalId":20740,"journal":{"name":"Progress in Nuclear Magnetic Resonance Spectroscopy","volume":"144 ","pages":"Pages 1-14"},"PeriodicalIF":6.1,"publicationDate":"2024-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0079656524000116/pdfft?md5=aa42014ceffd0d654ee28a00528c7937&pid=1-s2.0-S0079656524000116-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141242445","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Recent developments in materials and applications of triplet dynamic nuclear polarization","authors":"Tomoyuki Hamachi , Nobuhiro Yanai","doi":"10.1016/j.pnmrs.2024.05.001","DOIUrl":"10.1016/j.pnmrs.2024.05.001","url":null,"abstract":"<div><p>Dynamic nuclear polarization (DNP) is a method for achieving high levels of nuclear spin polarization by transferring spin polarization from electrons to nuclei by microwave irradiation, resulting in higher sensitivity in NMR/MRI. In particular, DNP using photoexcited triplet electron spins (triplet-DNP) can provide a hyperpolarized nuclear spin state at room temperature and in low magnetic field. In this review article, we highlight recent developments in materials and instrumentation for the application of triplet-DNP. First, a brief history and principles of triplet-DNP will be presented. Next, important advances in recent years will be outlined: new materials to hyperpolarize water and biomolecules; high-sensitivity solution NMR by dissolution triplet-DNP; and strategies for further improvement of the polarization. In view of these developments, future directions to widen the range of applications of triplet-DNP will be discussed.</p></div>","PeriodicalId":20740,"journal":{"name":"Progress in Nuclear Magnetic Resonance Spectroscopy","volume":"142 ","pages":"Pages 55-68"},"PeriodicalIF":6.1,"publicationDate":"2024-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0079656524000104/pdfft?md5=9ed36ffd4a1470748b9def3e318a6e28&pid=1-s2.0-S0079656524000104-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141033575","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Nicole Leifer , Doron Aurbach , Steve G. Greenbaum
{"title":"NMR studies of lithium and sodium battery electrolytes","authors":"Nicole Leifer , Doron Aurbach , Steve G. Greenbaum","doi":"10.1016/j.pnmrs.2024.02.001","DOIUrl":"https://doi.org/10.1016/j.pnmrs.2024.02.001","url":null,"abstract":"<div><p>This review focuses on the application of nuclear magnetic resonance (NMR) spectroscopy in the study of lithium and sodium battery electrolytes. Lithium-ion batteries are widely used in electronic devices, electric vehicles, and renewable energy systems due to their high energy density, long cycle life, and low self-discharge rate. The sodium analog is still in the research phase, but has significant potential for future development. In both cases, the electrolyte plays a critical role in the performance and safety of these batteries. NMR spectroscopy provides a non-invasive and non-destructive method for investigating the structure, dynamics, and interactions of the electrolyte components, including the salts, solvents, and additives, at the molecular level. This work attempts to give a nearly comprehensive overview of the ways that NMR spectroscopy, both liquid and solid state, has been used in past and present studies of various electrolyte systems, including liquid, gel, and solid-state electrolytes, and highlights the insights gained from these studies into the fundamental mechanisms of ion transport, electrolyte stability, and electrode-electrolyte interfaces, including interphase formation and surface microstructure growth. Overviews of the NMR methods used and of the materials covered are presented in the first two chapters. The rest of the review is divided into chapters based on the types of electrolyte materials studied, and discusses representative examples of the types of insights that NMR can provide.</p></div>","PeriodicalId":20740,"journal":{"name":"Progress in Nuclear Magnetic Resonance Spectroscopy","volume":"142 ","pages":"Pages 1-54"},"PeriodicalIF":6.1,"publicationDate":"2024-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139744477","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Controlling NMR spin systems for quantum computation","authors":"Jonathan A. Jones","doi":"10.1016/j.pnmrs.2024.02.002","DOIUrl":"10.1016/j.pnmrs.2024.02.002","url":null,"abstract":"<div><p>Nuclear magnetic resonance is arguably both the best available quantum technology for implementing simple quantum computing experiments and the worst technology for building large scale quantum computers that has ever been seriously put forward. After a few years of rapid growth, leading to an implementation of Shor’s quantum factoring algorithm in a seven-spin system, the field started to reach its natural limits and further progress became challenging. Rather than pursuing more complex algorithms on larger systems, interest has now largely moved into developing techniques for the precise and efficient manipulation of spin states with the aim of developing methods that can be applied in other more scalable technologies and within conventional NMR. However, the user friendliness of NMR implementations means that they remain popular for proof-of-principle demonstrations of simple quantum information protocols.</p></div>","PeriodicalId":20740,"journal":{"name":"Progress in Nuclear Magnetic Resonance Spectroscopy","volume":"140 ","pages":"Pages 49-85"},"PeriodicalIF":6.1,"publicationDate":"2024-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0079656524000037/pdfft?md5=6984203993c485e5790fb1d345fac413&pid=1-s2.0-S0079656524000037-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139880258","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Studying protein stability in crowded environments by NMR","authors":"Guohua Xu, Kai Cheng, Maili Liu, Conggang Li","doi":"10.1016/j.pnmrs.2024.01.001","DOIUrl":"https://doi.org/10.1016/j.pnmrs.2024.01.001","url":null,"abstract":"<div><p>Most proteins perform their functions in crowded and complex cellular environments where weak interactions are ubiquitous between biomolecules. These complex environments can modulate the protein folding energy landscape and hence affect protein stability. NMR is a nondestructive and effective method to quantify the kinetics and equilibrium thermodynamic stability of proteins at an atomic level within crowded environments and living cells. Here, we review NMR methods that can be used to measure protein stability, as well as findings of studies on protein stability in crowded environments mimicked by polymer and protein crowders and in living cells. The important effects of chemical interactions on protein stability are highlighted and compared to spatial excluded volume effects.</p></div>","PeriodicalId":20740,"journal":{"name":"Progress in Nuclear Magnetic Resonance Spectroscopy","volume":"140 ","pages":"Pages 42-48"},"PeriodicalIF":6.1,"publicationDate":"2024-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139743770","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Mingji Zheng , Yueying Chu , Qiang Wang , Yongxiang Wang , Jun Xu , Feng Deng
{"title":"Advanced solid-state NMR spectroscopy and its applications in zeolite chemistry","authors":"Mingji Zheng , Yueying Chu , Qiang Wang , Yongxiang Wang , Jun Xu , Feng Deng","doi":"10.1016/j.pnmrs.2023.11.001","DOIUrl":"10.1016/j.pnmrs.2023.11.001","url":null,"abstract":"<div><p>Solid-state NMR spectroscopy (ssNMR) can provide details about the structure, host–guest/guest–guest interactions and dynamic behavior of materials at atomic length scales. A crucial use of ssNMR is for the characterization of zeolite catalysts that are extensively employed in industrial catalytic processes. This review aims to spotlight the recent advancements in ssNMR spectroscopy and its application to zeolite chemistry. We first review the current ssNMR methods and techniques that are relevant to characterize zeolite catalysts, including advanced multinuclear and multidimensional experiments, <em>in situ</em> NMR techniques and hyperpolarization methods. Of these, the methodology development on half-integer quadrupolar nuclei is emphasized, which represent about two-thirds of stable NMR-active nuclei and are widely present in catalytic materials. Subsequently, we introduce the recent progress in understanding zeolite chemistry with the aid of these ssNMR methods and techniques, with a specific focus on the investigation of zeolite framework structures, zeolite crystallization mechanisms, surface active/acidic sites, host–guest/guest–guest interactions, and catalytic reaction mechanisms.</p></div>","PeriodicalId":20740,"journal":{"name":"Progress in Nuclear Magnetic Resonance Spectroscopy","volume":"140 ","pages":"Pages 1-41"},"PeriodicalIF":6.1,"publicationDate":"2023-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0079656523000237/pdfft?md5=30fe7d3a5de7e5c58cd892828ac7c957&pid=1-s2.0-S0079656523000237-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138437332","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Micron-scale magnetic resonance imaging based on low temperatures and dynamic nuclear polarization","authors":"Robert Tycko","doi":"10.1016/j.pnmrs.2023.10.001","DOIUrl":"10.1016/j.pnmrs.2023.10.001","url":null,"abstract":"<div><p>Extension of magnetic resonance imaging (MRI) techniques to the single micron scale has been the goal of research in multiple laboratories over several decades. It has proven difficult to achieve isotropic spatial resolution better than 3.0 μm in inductively-detected MRI near 300 K, even with well-behaved test samples, microcoils, and optimized MRI pulse sequences. This article examines the factors that limit spatial resolution in MRI, especially the inherently low signal-to-noise ratio of nuclear magnetic resonance (NMR), and explains how these limiting factors can be overcome in principle, by acquiring MRI data at low temperatures and using dynamic nuclear polarization (DNP) to enhance signal amplitudes. Recent efforts directed at micron-scale MRI enabled by low-temperature DNP, culminating in images with 1.7 μm isotropic resolution obtained at 5 K, are reviewed. The article concludes with a discussion of areas in which further developments are likely to lead to further improvements in resolution, eventually to 1.0 μm or better.</p></div>","PeriodicalId":20740,"journal":{"name":"Progress in Nuclear Magnetic Resonance Spectroscopy","volume":"138 ","pages":"Pages 136-149"},"PeriodicalIF":6.1,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"71514472","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Fingerprinting and profiling in metabolomics of biosamples","authors":"Veronica Ghini , Gaia Meoni , Alessia Vignoli , Francesca Di Cesare , Leonardo Tenori , Paola Turano , Claudio Luchinat","doi":"10.1016/j.pnmrs.2023.10.002","DOIUrl":"10.1016/j.pnmrs.2023.10.002","url":null,"abstract":"<div><p>This review focuses on metabolomics from an NMR point of view. It attempts to cover the broad scope of metabolomics and describes the NMR experiments that are most suitable for each sample type. It is addressed not only to NMR specialists, but to all researchers who wish to approach metabolomics with a clear idea of what they wish to achieve but not necessarily with a deep knowledge of NMR. For this reason, some technical parts may seem a bit naïve to the experts. The review starts by describing standard metabolomics procedures, which imply the use of a dedicated 600 MHz instrument and of four properly standardized 1D experiments. Standardization is a must if one wants to directly compare NMR results obtained in different labs. A brief mention is also made of standardized pre-analytical procedures, which are even more essential. Attention is paid to the distinction between fingerprinting and profiling, and the advantages and disadvantages of fingerprinting are clarified. This aspect is often not fully appreciated. Then profiling, and the associated problems of signal assignment and quantitation, are discussed. We also describe less conventional approaches, such as the use of different magnetic fields, the use of signal enhancement techniques to increase sensitivity, and the potential of field-shuttling NMR. A few examples of biomedical applications are also given, again with the focus on NMR techniques that are most suitable to achieve each particular goal, including a description of the most common heteronuclear experiments. Finally, the growing applications of metabolomics to foodstuffs are described.</p></div>","PeriodicalId":20740,"journal":{"name":"Progress in Nuclear Magnetic Resonance Spectroscopy","volume":"138 ","pages":"Pages 105-135"},"PeriodicalIF":6.1,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"71506518","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Metal ions based dynamic nuclear polarization: MI-DNP","authors":"Daniel Jardón-Álvarez, Michal Leskes","doi":"10.1016/j.pnmrs.2023.08.002","DOIUrl":"10.1016/j.pnmrs.2023.08.002","url":null,"abstract":"<div><p>Over the last two decades magic angle spinning dynamic nuclear polarization (MAS DNP) has revolutionized NMR for materials characterization, tackling its main limitation of intrinsically low sensitivity. Progress in theoretical understanding, instrumentation, and sample formulation expanded the range of materials applications and research questions that can benefit from MAS DNP. Currently the most common approach for hyperpolarization under MAS consists in impregnating the sample of interest with a solution containing nitroxide radicals, which upon microwave irradiation serve as exogenous polarizing agents. On the other hand, in metal ion based (MI)-DNP, inorganic materials are doped with paramagnetic metal centres, which then can be used as endogenous polarizing agents. In this work we give an overview of the electron paramagnetic resonance (EPR) concepts required to characterize the metal ions and discuss the expected changes in the NMR response due to the presence of paramagnetic species. We highlight which properties of the electron spins are beneficial for applications as polarizing agents in DNP and how to recognize them, both from the EPR and NMR data. A theoretical description of the main DNP mechanisms is given, employing a quantum mechanical formalism, and these concepts are used to explain the spin dynamics observed in the DNP experiment. In addition, we highlight the main differences between MI-DNP and the more common approaches in MAS DNP, which use organic radicals as exogenous polarizing source. Finally, we review some applications of metal ions as polarizing agents in general and then focus particularly on research questions in materials science that can benefit from MI-DNP.</p></div>","PeriodicalId":20740,"journal":{"name":"Progress in Nuclear Magnetic Resonance Spectroscopy","volume":"138 ","pages":"Pages 70-104"},"PeriodicalIF":6.1,"publicationDate":"2023-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48724745","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}