New Developments in NMR

New Developments in NMR

Focusing on novel aspects of method and instrumentation development, applications in emerging fields and new techniques and technologies, this Series documents the important advances being made in this field. The books provide comprehensive introductions to the relevant theory to facilitate greater understanding and to encourage wider usage of NMR techniques, making them ideal for students, researchers and practising analytical scientists, as well as manufacturers with an interest in the instrumentation.

William Price
Western Sydney University, Australia                                    

Bruce Balcom
The University of New Brunswick, Canada                                    
Series Editor
Masatsune Kainosho
Tokyo Metropolitan University, Japan                                    
Series Editor
Istvan Furo
KTH Royal Institute of Technology, Sweden                                    
Series Editor
Kavita Dorai
IISER, India                                    
Series Adviser
Maili Liu
Chinese Academy of Sciences, China                                    
Series Editor
Danuta Kruk
University of Warmia and Mazury in Olsztyn, Poland                                    
Series Adviser

Advanced Diffusion Encoding Methods in MRI (2020)

Editor(s): Daniel Topgaard


The medical MRI community is by far the largest user of diffusion NMR techniques and this book captures the current surge of methods and provides a primary source to aid adoption in this field. There is a trend to adapting the more advanced diffusion encoding sequences developed by NMR researchers within the fields of porous media, chemical engineering, and colloid science to medical research. Recently published papers indicate great potential for improved diagnosis of the numerous pathological conditions associated with changes of tissue microstructure that are invisible to conventional diffusion MRI. This book disseminates these recent developments to the wider community of MRI researchers and clinicians. The chapters cover the theoretical basis, hardware and pulse sequences, data analysis and validation, and recent applications aimed at promoting further growth in the field. This is a fast moving field and chapters are written by key MRI scientists that have contributed to the successful translation of the advanced diffusion NMR methods to the context of medical MRI, from global locations.

NMR and MRI of Gels (2020)

Editor(s): Yves De Deene


Gels are used in a large variety of commercial and scientific products from drug delivery systems and food science to biomedical sensors. They also are invaluable in MRI physics research where they mimic biological tissue and in radiotherapy quality assurance where they are used to capture the three dimensional radiation dose distribution. This unique book discusses the state-of-the-art of NMR and MRI techniques in studying the physics and chemistry of gel systems, in their application as MRI phantoms and as three dimensional radiation dosimeters. The first part of the book will cover the fundamental physical concepts of gels and the NMR techniques to study gel systems. The second part is dedicated to the application of gels in the life sciences and in the medical practice to validate radiotherapy and new MRI techniques. Filling the gap in literature, this volume provides the scientific reader with an extensive overview of possible techniques and methods to study the interesting properties and applications of gels. For the MRI researcher and medical physicist, the book will be a valuable resource in using gel phantoms for validating contemporary MRI techniques and radiotherapy treatments.

Long-lived Nuclear Spin Order: Theory and Applications  (2020)

Editor(s): Giuseppe Pileio


The idea that a long-lived form of spin order, namely singlet order, can be prepared from nuclear spin magnetisation first emerged in 2004. The unusual properties of singlet order–its long lifetime and the fact that it is NMR silent but interconvertible into other forms of NMR active order—make it a ‘smart tag’ that can be used to store information for a long time or through distant space points. It is not unexpected then, that since its first appearance, this idea has caught the attention of research groups interested in exploiting this form of order in different fields of research spanning from biology to materials science and from hyperpolarisation to quantum computing. This first book on the subject gives a thorough description of the various aspects that affect the development of the topic and details the interdisciplinary applications. The book starts with a section dedicated to the basic theories of long-lived spin order and then proceeds with a description of the state-of-the-art experimental techniques developed to manipulate singlet order. It then concludes by covering the generalization of the concept of singlet order by introducing and discussing other forms of long-lived spin order.

In-cell NMR Spectroscopy: From Molecular Sciences to Cell Biology  (2019)

Editor(s): Yutaka Ito, Volker Dötsch, Masahiro Shirakawa


In-cell NMR spectroscopy is a relatively new field. Despite its short history, recent in-cell NMR-related publications in major journals indicate that this method is receiving significant general attention. This book provides the first informative work specifically focused on in-cell NMR. It details the historical background of in-cell NMR, host cells for in-cell NMR studies, methods for in-cell biological techniques and NMR spectroscopy, applications, and future perspectives. Researchers in biochemistry, biophysics, molecular biology, cell biology, structural biology as well as NMR analysts interested in biological applications will all find this book valuable reading.

NMR Methods for Characterization of Synthetic and Natural Polymers (2019)

Editor(s): Rongchun Zhang, Toshikazu Miyoshi, Pingchuan Sun


Since the introduction of FT-NMR spectroscopy around five decades ago, NMR has achieved significant advances in hardware and methodologies, accompanied with the enhancement of spectral resolution and signal sensitivity. Rapid developments in the polymers field mean that accurate and quantitative characterization of polymer structures and dynamics is the keystone for precisely regulating and controlling the physical and chemical properties of the polymer. This book specifically focuses on NMR investigation of complex polymers for the polymer community as well as NMR spectroscopists, and will push the development of both fields. It covers the latest advances, for example high field DNP and ultrafast MAS methodologies, and show how these novel NMR methods characterize various synthetic and natural polymers.

Field-cycling NMR Relaxometry: Instrumentation, Model Theories and Applications (2018)

Editor(s): Rainer Kimmich


Field-cycling NMR relaxometry is evolving into a methodology of widespread interest with recent technological developments resulting in powerful and versatile commercial instruments. Polymers, liquid crystals, biomaterials, porous media, tissue, cement and many other materials of practical importance can be studied using this technique. This book summarises the expertise of leading scientists in the area and the editor is well placed, after four decades of working in this field, to ensure a broad ranging and high quality title. Starting with an overview of the basic principles of the technique and the scope of its use, the content then develops to look at theory, instrumentation, practical limitations and applications in different systems. Newcomers to the field will find this book invaluable for successful use of the technique. Researchers already in academic and industrial settings, interested in molecular dynamics and magnetic resonance, will discover an important addition to the literature.

Hybrid MR-PET Imaging: Systems, Methods and Applications  (2018)

Editor(s): N Jon Shah


The combination of two leading imaging techniques – magnetic resonance imaging and positron emission tomography – is poised to have a large impact and has recently been a driver of research and clinical applications. The hybrid instrument is capable of acquiring both datasets simultaneously and this affords a number of advantages ranging from the obvious, two datasets acquired in the time required for one, through to novel applications. This book describes the basics of MRI and PET and then the technical issues and advantages involved in bringing together the two techniques. Novel applications in preclinical settings, human imaging and tracers are described. The book is for students and scientists entering the field of MR–PET with an MRI background but lacking PET or vice versa. It provides practical details from experts working in the area.

Optimizing NMR Methods for Structure Elucidation: Characterizing Natural Products and Other Organic Compounds  (2018)

Editor(s): Darcy C Burns, William F Reynolds


This book is aimed at informing organic chemists and natural products chemists on the use of NMR for structure elucidation to enable them to ensure they yield the most reliable possible data in the minimum possible time. It covers the latest pulse sequences, acquisition and processing methods, practical areas not covered in most texts e.g. detailed consideration of the relative advantages and disadvantages of different pulse sequences, choosing acquisition and processing parameters to get the best possible data in the least possible time, pitfalls to avoid and how to minimize the risks of getting wrong structures. Useful in industrial, pharma or research environments, this reference book is for anyone involved with organic chemistry research and, in particular, natural products research requiring advice for getting the best results from the NMR facilities.

Paramagnetism in Experimental Biomolecular NMR (2018)

Editor(s): Claudio Luchinat, Giacomo Parigi, Enrico Ravera


Paramagnetic NMR is a growing technique that represents an increasingly important tool for the investigation of biomolecules. This book presents an update and overview of the paramagnetic NMR phenomena and effects as well as guidelines for practical implementation of state-of-the-art experiments. All experiments are supported by a solid theoretical foundation. Areas mentioned are the development of solid state NMR, the use of paramagnetic tags providing information on the structure and mobility of the investigated systems, and dynamic nuclear polarization to increase sensitivity. Compiled by experts in the field, this book has international appeal for researchers as well as students interested in magnetic resonance and structural biology who require experimental support and accessible information.

In-cell NMR Spectroscopy: From Molecular Sciences to Cell Biology (2018)

Editor(s): Yutaka Ito, Volker Dötsch, Masahiro Shirakawa


In-cell NMR spectroscopy is a relatively new field. Despite its short history, recent in-cell NMR-related publications in major journals indicate that this method is receiving significant general attention. This book provides the first informative work specifically focused on in-cell NMR. It details the historical background of in-cell NMR, host cells for in-cell NMR studies, methods for in-cell biological techniques and NMR spectroscopy, applications, and future perspectives. Researchers in biochemistry, biophysics, molecular biology, cell biology, structural biology as well as NMR analysts interested in biological applications will all find this book valuable reading

Modern Methods in Solid-state NMR: A Practitioner's Guide (2018)

Editor(s): Paul Hodgkinson


Solid-state NMR covers an enormous range of material types and experimental techniques. Although the basic instrumentation and techniques of solids NMR are readily accessible, there can be significant barriers, even for existing experts, to exploring the bewildering array of more sophisticated techniques. In this unique volume, a range of experts in different areas of modern solid-state NMR explain about their area of expertise, emphasising the “practical aspects” of implementing different techniques, and illustrating what questions can and cannot be addressed. Later chapters address complex materials, showing how different NMR techniques discussed in earlier chapters can be brought together to characterise important materials types. The volume as a whole focuses on topics relevant to the developing field of “NMR crystallography” – the use of solids NMR as a complement to diffraction crystallography. This book is an ideal complement to existing introductory texts and reviews on solid-state NMR. New researchers wanting to understand new areas of solid-state NMR will find each chapter to be the equivalent to spending time in the laboratory of an internationally leading expert, learning the hints and tips that make the difference between knowing about a technique and being ready to put it into action. With no equivalent on the market, it will be of interest to every solid-state NMR researcher (academic and postgraduate) working in the chemical sciences.

NMR-based Metabolomics (2018)

Editor(s): Hector C Keun


In the rapidly growing field of metabolomics, a comprehensive book describing the state of the art in the application of NMR spectroscopy will be a key title for practitioners. Providing a unique resource of background knowledge, resources, instrumental platforms and software, this book will introduce relevant theory to the researcher as well as serve as a practical guide detailing key experiments and data handling procedures. Information available on common sample types will be described together with reference to the latest web-based resources available. Application-specific considerations will be discussed for a wide range of research topics. Written by an expert team as a service to the metabolomics community, this book will appeal to NMR spectroscopists, analytical chemists and biochemists especially those with an interest in medical applications.

Contrast Agents for MRI: Experimental Methods (2017)

Editor(s): Valérie C Pierre, Matthew J Allen


As a practical reference guide for designing and performing experiments, this book focuses on the five most common classes of contrast agents for MRI namely gadolinium complexes, chemical exchange saturation transfer agents, iron oxide nanoparticles, manganese complexes and fluorine contrast agents. It describes how to characterize and evaluate them and for each class, a description of the theory behind their mechanisms is discussed briefly to orient the new reader. Detailed subchapters discuss the different physical chemistry methods used to characterize them in terms of their efficacy, safety and in vivo behavior. Important consideration is also given to the different physical properties that affect the performance of the contrast agents. The editors and contributors are at the forefront of research in the field of MRI contrast agents and this unique, cutting edge book is a timely addition to the literature in this area.

Cross-relaxation and Cross-correlation Parameters in NMR: Molecular Approaches (2017)

Editor(s): Daniel Canet


Spin relaxation parameters, although difficult to interpret, are attracting interest in NMR as these parameters are capable of yielding both structural and dynamic information. Cross-relaxation and cross-correlation parameters afford a non-ambiguous approach to molecular structure and dynamics although they require some special skills for their experimental determination and for their exploitation. This work will start with an introduction to nuclear spin cross-relaxation and cross-correlation phenomena in liquids then look in more detail at molecules in soft matter and large biomolecules. Providing a detailed, timely account, the authors are filling a gap in the present NMR literature for the analytical scientist.

Fast NMR Data Acquisition: Beyond the Fourier Transform (2017)

Editor(s): Mehdi Mobli, Jeffrey C Hoch


Providing a definitive reference source on novel methods in NMR acquisition and processing, this book will highlight similarities and differences between emerging approaches and focus on identifying which methods are best suited for different applications. The highly qualified editors have conducted extensive research into the fundamentals of fast methods of data acquisition in NMR, including applications of non-Fourier methods of spectrum analysis. With contributions from additional distinguished experts in allied fields, clear explanations are provided on methods that speed up NMR experiments using different ways to manipulate the nuclei in the sample, modern methods for estimating the spectrum from the time domain response recorded during an NMR experiment, and finally how the data is sampled. Starting with a historical overview of Fourier Transformation and its role in modern NMR spectroscopy, this volume will clarify and demystify this important emerging field for spectroscopists and analytical chemists in industry and academia.

NMR in Glycoscience and Glycotechnology (2017)

Editor(s): Koichi Kato, Thomas Peters


This volume focuses on solution and solid-state NMR of carbohydrates, glycoproteins, glyco-technologies, biomass and related topics. It is estimated that at least 80% of all proteins are glycoproteins. Because of the complexity, heterogeneity and flexibility of the sugar chains, the structural biology approaches for glycoconjugates have been generally avoided. NMR techniques although well established for structural analyses of proteins and nucleic acids, cannot be simply applied to this complex class of biomolecules. Nonetheless, recently developed NMR techniques for carbohydrates open the door to conformational studies of a variety of sugar chains of biological interest. NMR studies on glycans will have significant impact on the development of vaccines, adjuvants, therapeutics, biomarkers and on biomass regeneration.In this volume, the Editors have collected the most up-to-date NMR applications from experts in the field of carbohydrate NMR spectroscopy. Timely and useful, not only for NMR specialists, it will appeal to researchers in the general field of structural biology, biochemistry and biophysics, molecular and cellular biology and material science.

Biophysics and Biochemistry of Cartilage by NMR and MRI (2016)

Editor(s): Yang Xia, Konstantin Momot


This unique book describes the latest information in the fundamental understanding of the biophysics and biochemistry of articular cartilage using the state-of-the-art practices in NMR and MRI. This is the first book of its kind, written by physicists and chemists on this important tissue, whose degradation contributes to osteoarthritis and related joint diseases. Connecting the fundamental science with the clinical imaging applications, the experts Editors provide an authoritative addition to the literature. Ideal for practising physical scientists and radiologists with an interest in the fundamental science as well as instrument manufacturers and clinical researchers working with articular cartilage.

Diffusion NMR of Confined Systems: Fluid Transport in Porous Solids and Heterogeneous Materials (2016)

Editor(s): Rustem Valiullin


With the increasing role of porous solids in conventional and newly emerging technologies, there is an urgent need for a deeper understanding of fluid behaviour confined to pore spaces of these materials especially with regard to their transport properties. From its early years, NMR has been recognized as a powerful experimental technique enabling direct access to this information. In the last two decades, the methodological development of different NMR techniques to assess dynamic properties of adsorbed ensembles has been progressed. This book will report on these recent advances and look at new broader applications in engineering and medicine. Having both academic and industrial relevance, this unique reference will be for specialists working in the research areas and for advanced graduate and postgraduate studies who want information on the versatility of diffusion NMR.

Gas Phase NMR (2016)

Editor(s): Karol Jackowski, Michał Jaszuński


This book covers the recent NMR studies with the application of gaseous molecules. Among the comprehensively discussed aspects of the area it includes in particular: new multinuclear experiments that deliver spectral parameters of isolated molecules and provide the most accurate values of nuclear magnetic shielding, isotropic spin–spin coupling and relaxation times; advanced, precise and correct theoretical descriptions of spectral parameters of molecules as well as the application of gas-phase NMR measurements to chemical analysis and medicine.The progress of research in these fields is enormous and has rapidly changed our knowledge and understanding of molecular parameters in NMR spectroscopy. For example, accurate studies of the shielding for isolated molecules allow the exact determination of nuclear magnetic dipole moments, the calculated values of spectral parameters can be verified by precise gas-phase NMR measurements, and the application of hyperpolarized noble gases provides excellent MRI pictures of lungs. Aimed at graduates and researchers in spectroscopy, analytical chemistry and those researching the applications of NMR in medicine, this book presents the connections between sophisticated experiments, the theory of magnetic parameters and the exploration of new methods in practice.

Magnetic Resonance Technology: Hardware and System Component Design (2016)

Editor(s): Andrew G Webb


Magnetic resonance systems are used in almost every academic and industrial chemistry, physics and biochemistry department, as well as being one of the most important imaging modalities in clinical radiology. The design of such systems has become increasingly sophisticated over the years. Static magnetic fields increase continuously, large-scale arrays of receive elements are now ubiquitous in clinical MRI, cryogenic technology has become commonplace in high resolution NMR and is expanding rapidly in preclinical MRI, specialized high strength magnetic field gradients have been designed for studying the human connectome, and the commercial advent of ultra-high field human imaging has required new types of RF coils and static shim coils together with extensive electromagnetic simulations to ensure patient safety. This book covers the hardware and engineering that constitutes a magnetic resonance system, whether that be a high-resolution liquid or solid state system for NMR spectroscopy, a preclinical system for imaging animals or a clinical system used for human imaging. Written by a team of experts in the field, this book provides a comprehensive and instructional look at all aspects of current magnetic resonance technology, as well as outlooks for future developments.

Hyperpolarized Xenon-129 Magnetic Resonance: Concepts, Production, Techniques and Applications (2015)

Editor(s): Thomas Meersmann, Eike Brunner


Providing the first comprehensive book on the current state of hyperpolarized Xenon-129 NMR and MRI, this book is guaranteed to appeal to a wide range of scientists interested in this growing field. It is intended to create synergy between the various communities working with this noble gas. Covering all topics from the production of the hyperpolarized gas to its applications, the editors have invited a leading team of experts to combine the physical chemistry within the various topics and across disciplines. The scope will range from the fundamental aspects of optical pumping to practical aspects of hyperpolarizers and hp-xenon handling. The applications section will focus on hyperpolarized xenon-129 detected in the dissolved phase or micro porous media where the chemical shift of xenon-129 can be used as a diagnostic probe.Appealing to researchers in the biomedical field and materials sciences, this reference book will provide background reading and future looking material in one place.

Mobile NMR and MRI: Developments and Applications (2015)

Editor(s): Michael L Johns, Einar O Fridjonsson, Sarah J Vogt, Agnes Haber


There has been a recent surge in hardware developments with respect to mobile NMR and MRI systems, from which novel applications are starting to emerge. These comparatively low cost systems allow either for more routine use of NMR and MRI, generally for material quality control, or they allow for the analysis of samples whose size and shape precludes conventional NMR and MRI application. This book will, for the first time, summarise these recent hardware developments, highlight the challenges facing mobile and generally low-field NMR and MRI and describe various applications. Including chapters on commercial applications in well logging and food content measurements, the broad appeal of this book will fill a gap in the literature for NMR spectroscopists, analytical chemists and all those involved in measurement science in both industry and academia.

Advances in Biological Solid-State NMR: Proteins and Membrane-Active Peptides (2014)

Editor(s): Frances Separovic, Akira Naito


The complexity and heterogeneity of biological systems has posed an immense challenge in recent years. An increasingly important tool for obtaining molecular and atomic scale information on a range of large biological molecules and cellular components is solid state NMR. This technique can address fascinating problems in structural biology, including the arrangement of supramolecular complexes and fibril formation in relation to molecular folding, misfolding and aggregation.Advances in Biological NMR brings the reader up to date with chapters from international leaders of this growing field, covering the most recent developments in the methodology and applications of solid state NMR to studies of membrane interactions and molecular motions. A much needed discussion of membrane systems is detailed alongside important developments in in situ analysis.Topics include applications to biological membranes, membrane active peptides, membrane proteins, protein assemblies and in-cell NMR. This exposition of an invaluable technique will interest those working in a range of related spectroscopic and biological fields. A basic introduction invites those interested to familiarise themselves with the basic mathematical and conceptual foundations of solid state NMR. A thorough and comprehensive discussion of this promising technique follows, which is essential reading for those working or studying at postgraduate level in this exciting field.

New Applications of NMR in Drug Discovery and Development (2013)

Editor(s): Leoncio Garrido, Nicolau Beckmann


This book presents a review of recent developments in NMR applications in pharmaceutical research. Consideration is given to consolidated and emerging techniques and methods in NMR, many of which are not widely applied but are likely to provide new opportunities for drug design.The first part of the book is dedicated to the description of NMR as a tool for the analysis of chemicals and interaction with targets. The first part of the book is dedicated to the description of NMR as a tool for the analysis of chemicals and interaction with targets. Particular emphasis is put on applications with unexploited potential for drug discovery and development. The next seven chapters describe NMR approaches to investigate in vivo models of interest in drug discovery and development, with the attention focused on anatomy, function, metabolism and molecular-cellular aspects. Finally, consideration is given to the application of in vivo NMR to the identification and characterization of biomarkers with the aim of monitoring the outcome of therapeutic intervention in selected human diseases, including the study of drug metabolism and toxicity.Aimed at NMR spectroscopists and pharmaceutical scientists, this title will be invaluable at putting NMR within context in its role in drug discovery and development. This resource will be essential reading for those both new and already active in these areas.

Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation (2011)

Author(s): Mikhail E Elyashberg, Antony Williams, Kirill Blinov


Computer-Assisted Structure Elucidation (CASE) systems are a combination of software algorithms and tools to support and enable chemists and spectroscopists engaged in the process of molecular structure elucidation via the analysis of spectroscopic data. These expert systems dramatically reduce the time associated with structure elucidation and improve the reliability of the results. Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation describes the principles on which these expert systems for spectroscopic structure elucidation are based and concisely explains the algorithmic concepts behind the programs. The authors use their own personal experiences in the development of the Structure Elucidator (StrucEluc) CASE software system to discuss the present state-of-the-art in computer-assisted structure elucidation. Scientists that are presently using CASE systems will be interested in the algorithms and modern approaches and for organizations that are currently using the StrucEluc platform the book is designed to help researchers understand the strategies behind CASE as well as details regarding the StrucEluc platform. For scientists that have never used CASE systems they will now have access to all necessary information to understand CASE systems for mastering this new and very effective approach to structure elucidation. The authors overall goal is writing this book is to produce the 'must read' definitive text that will represent the results of decades of work to develop computer-assisted structure elucidation software systems. CASE systems are now powerful software tools commonly outperforming and correcting human interpretations of data. This book will also provide an historical perspective of the work of the founding fathers of the technique and identify the challenges that have been overcome to produce modern CASE systems.