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16 de Abril     Open Access   (Followers: 2)
3D Printing in Medicine     Open Access   (Followers: 4)
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AADE in Practice     Hybrid Journal   (Followers: 6)
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Abia State University Medical Students' Association Journal     Full-text available via subscription   (Followers: 2)
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African Journal of Trauma     Open Access   (Followers: 1)
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Al-Azhar Assiut Medical Journal     Open Access   (Followers: 2)
Al-Qadisiah Medical Journal     Open Access   (Followers: 1)
ALERTA : Revista Científica del Instituto Nacional de Salud     Open Access  
Alexandria Journal of Medicine     Open Access   (Followers: 1)
Allgemeine Homöopathische Zeitung     Hybrid Journal   (Followers: 3)
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ALTEX : Alternatives to Animal Experimentation     Open Access   (Followers: 2)
Althea Medical Journal     Open Access   (Followers: 2)
American Journal of Biomedical Engineering     Open Access   (Followers: 15)
American Journal of Biomedical Research     Open Access   (Followers: 2)
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American Journal of Medicine     Hybrid Journal   (Followers: 51)
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American Journal on Addictions     Hybrid Journal   (Followers: 10)
American medical news     Free   (Followers: 3)
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Amyloid: The Journal of Protein Folding Disorders     Hybrid Journal   (Followers: 5)
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Anales de la Facultad de Medicina, Universidad de la República, Uruguay     Open Access  
Anales del Sistema Sanitario de Navarra     Open Access   (Followers: 1)
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Annals of the New York Academy of Sciences     Hybrid Journal   (Followers: 5)
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Annual Reports in Medicinal Chemistry     Full-text available via subscription   (Followers: 7)
Annual Reports on NMR Spectroscopy     Full-text available via subscription   (Followers: 5)
Annual Review of Medicine     Full-text available via subscription   (Followers: 17)
Anthropological Review     Open Access   (Followers: 24)
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ASPIRATOR : Journal of Vector-borne Disease Studies     Open Access  
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Similar Journals
Journal Cover
Annual Reports on NMR Spectroscopy
Journal Prestige (SJR): 0.968
Citation Impact (citeScore): 2
Number of Followers: 5  
  Full-text available via subscription Subscription journal
ISSN (Print) 0066-4103
Published by Elsevier Homepage  [3206 journals]
  • Versatile NMR simulations using SIMPSON
    • Abstract: Publication date: Available online 25 January 2020Source: Annual Reports on NMR SpectroscopyAuthor(s): Dennis W. Juhl, Zdeněk Tošner, Thomas VosegaardAbstractThis chapter provides a number of examples of numerical simulations in NMR. Main focus is on advanced simulations in solid-state NMR using the widely used SIMPSON simulation package. The chapter starts with introductory examples providing a gentle introduction to SIMPSON and various concepts of solid-state NMR. Following the introduction is a demonstration on how SIMPSON can interact with SIMMOL for setting up spin systems of protein spin systems. Finally, we demonstrate how the versatile Tcl interface of SIMPSON can be used to expand the capabilities of SIMPSON, here exemplified by simulations of chemical exchange. The examples demonstrate that SIMPSON may be regarded a ‘virtual NMR spectrometer’.
  • Total line shape analysis of high-resolution NMR spectra
    • Abstract: Publication date: Available online 20 December 2019Source: Annual Reports on NMR SpectroscopyAuthor(s): Dmitry A. Cheshkov, Dmitry O. SinitsynAbstractAnalysis of high-resolution NMR spectra consist in determining the parameters of the spin system that provide the best correspondence between the theoretical and experimental spectra. This review is devoted to modern approaches to the total line shape analysis of high-resolution NMR spectra; discussion of difficulties and pitfalls associated with both the fundamental features of high-resolution NMR spectra and the optimization of parameters values. The question of the accuracy of determining values of spin systems parameters is discussed. Practical examples of the spectra analysis are considered, as well as recommendations for obtaining experimental NMR spectra of high quality.
  • Recent development in 1H NMR relaxometry
    • Abstract: Publication date: Available online 9 December 2019Source: Annual Reports on NMR SpectroscopyAuthor(s): Danuta Kruk, Małgorzata Florek-WojciechowskaAbstractNuclear Magnetic Resonance (NMR) relaxometry is one of the most powerful methods of studying dynamical properties of condensed matter and solids, from simple, small molecules and ions to complex, macromolecular systems. The unique advantages of NMR relaxometry are the possibility to probe dynamical processes across a broad range of correlation times (from ms to ns) in a single experiment and the ability to identify the mechanism of the molecular and ionic motion. In this chapter an overview of the large spectrum of possible applications of NMR relaxometry is presented in numerous examples. The examples include molecular and ionic liquids in bulk and confinement, nanofluids, proteins and polymers, complex solids, paramagnetic and superparamagnetic systems and they are accompanied by outlines of the aspects of spin relaxation theories that are most relevant for the specific classes of systems. The theory encompasses the subjects of several relaxation pathways and various spin interactions combined with advanced models of motion.
  • Recent studies on accurate measurements of NMR transverse relaxation times
    • Abstract: Publication date: Available online 6 November 2019Source: Annual Reports on NMR SpectroscopyAuthor(s): Rangeet Bhattacharyya, Ipsita Chakraborty, Arnab Chakrabarti, Swagata MandalAbstractIn this review we aim to show that newly proposed dynamic decoupling sequences are increasingly finding usage in solution state NMR spectroscopy as a more accurate method of measuring transverse relaxation time. We show the basic working principles of Uhrig's dynamic decoupling (UDD) sequence and discuss its optimality under a variety of scenarios. The applications of UDD in measuring the transverse relaxation time by successfully suppressing the slow motions is shown. Later the uses of UDD in magnetic resonance imaging and in the measurement of multiquantum processes are also discussed. Finally, we show several hitherto unexplored areas where UDD shows promise to yield valuable information.
  • Flow charts for the systematic solid-state 19F/2H-NMR structure analysis
           of membrane-bound peptides
    • Abstract: Publication date: Available online 29 October 2019Source: Annual Reports on NMR SpectroscopyAuthor(s): Erik Strandberg, Anne S. UlrichAbstractSolid-state NMR (SSNMR) is one of the most useful methods to investigate membrane-bound peptides and proteins, in order to elucidate the structural basis of their diverse biological functions. In the case of short peptides, SSNMR is now performed on a routine basis in several labs. By employing side-chain 19F- or 2H-isotope-labelled peptides in static oriented samples, SSNMR can provide information about conformation, alignment, dynamics, oligomerization, and aggregation behaviour. Changes in and transitions between these structural properties tend to be directly related to the functional mechanism of the peptides. Here, we present an easy-to-follow description of the methodological SSNMR approach in the form of flow charts. The successive steps needed, from peptide synthesis and functional tests, on to NMR sample preparation and NMR experiments, and further on to data analysis, are described. At each stage, questions to be answered and tasks to be performed are explained, and some representative results are illustrated. Relevant challenges and pitfalls are discussed, and possible reasons for problems and their possible solutions are considered.
  • Interaction of ionic liquids with proteins: NMR studies of binding and
    • Abstract: Publication date: Available online 14 October 2019Source: Annual Reports on NMR SpectroscopyAuthor(s): Bandaru V.N. Phani Kumar, Ramireddy Ravikanth ReddyAbstractIonic liquids (ILs) are considered as green solvents, and some ILs can stabilize proteins. ILs find significant importance from the perspectives of protein-ionic liquid (P-IL) interactions. An arsenal of nuclear magnetic resonance (NMR) methodologies can be employed to probe the differential binding and dynamics of cation and anion of ILs with the proteins of interest towards targeted functionalities. This chapter focusses on the recent developments of NMR spectroscopy on binding and dynamics of ILs as well as proteins, with a view to appreciate P-IL interactions. The favourable outcome of P-IL interactions can be exploited by employing various NMR approaches such as 1H lineshapes, chemical shifts, spin-spin and spin-lattice relaxation (both selective and nonselective), translational self-diffusion, saturation transfer difference (STD), 1H-15N heteronuclear single-quantum correlation (HSQC) and High-resolution magic angle spinning (HRMAS). These experiments facilitate the extraction of fruitful information on mobility, size and spatial proximities, and preferential binding sites of ion species as well as proteins. In this scenario, we highlight here some of the recent NMR advances and future research directions in this important area.
  • C+couplings+in+structure+determination&rft.title=Annual+Reports+on+NMR+Spectroscopy&rft.issn=0066-4103&">Recent developments in the use of one bond CC couplings in structure
    • Abstract: Publication date: Available online 29 May 2019Source: Annual Reports on NMR SpectroscopyAuthor(s): James K. Harper, Giovanna M. PopeAbstractThe successful acquisition of experimental one-bond carbon-carbon couplings (1JCC) in natural abundance samples has become more feasible in recent years due to improvements in experimental pulse sequences, development of better probes and alternative approaches to data processing. Although these couplings are most commonly employed to establish 13C13C connectivity in organic structures, recent work demonstrates that such structural studies can be further enhanced by including theoretical 1JCC couplings computed from a set of candidate structures. Early studies primarily focused on modelling configurational differences near CCX bonds (X = a lone pair containing heteroatom). Subsequent analyses have demonstrated that relative stereochemistry, molecular conformation and heteroatom identity can also be established from 1JCC data.
  • New variants of the ADEQUATE experiments
    • Abstract: Publication date: Available online 29 May 2019Source: Annual Reports on NMR SpectroscopyAuthor(s): Josep Saurí, Ikenna E. Ndukwe, Mikhail Reibarkh, Yizhou Liu, R. Thomas Williamson, Gary E. MartinAbstractADEQUATE experiments were first described in the mid-1990s and are a family of proton-detected NMR experiments used to establish carbon–carbon correlations at natural abundance. Applications of these experiments were initially limited by the statistical probability of two 13C nuclides in the same molecule (~ 1:10,000) and the low intrinsic sensitivity of the NMR probe technology of the day. In the intervening two decades, there have been significant advances in NMR probe technology and it is now possible, for example, to perform multiplicity-edited pure shift HSQC NMR experiments on a microgram of material or less. The enhanced NMR sensitivity offered by cryogenic NMR probes has dropped sample requirements for ADEQUATE experiments from the ~ 10 mg range to less than a milligram when working with a 1.7 mm Micro Cryoprobe™ at 600 MHz on a modern spectrometer. In parallel with advances in NMR probe technology, this chapter will detail a number of modifications of the ADEQUATE experiment that have been reported to enhance both the utility and sensitivity of these experiments. Combining newly reported variants of the ADEQUATE experiments with anisotropic NMR and Computer-Assisted Structure Elucidation methods affords an orthogonal means of verifying both the constitution and configuration of complex molecular structures that can stem the flow of incorrectly reported structures into the chemical literature.
  • 7Li spin-echo NMR diffusion studies
    • Abstract: Publication date: Available online 23 May 2019Source: Annual Reports on NMR SpectroscopyAuthor(s): Kikuko HayamizuAbstractIn electrochemistry, the important physical constants are ionic conductivity, viscosity and ion diffusion constants. Although the ionic conductivity (σ) and viscosity (η) have been widely obtained, measurements of diffusion constant (D) became recently possible by the pulsed field gradient (PFG) NMR method. The relations between D and η and D and σ are described by the Stokes-Einstein and Nernst-Einstein equations, respectively. The research and development of the Li-ion battery (LIB) is one of the most popular subjects and the observation of ion diffusion constants by the PFG-NMR methods became a state-of-the-art technique. In this chapter, PFG-NMR measurements of the diffusion constants of Li+, and the related anions and solvents of solution electrolytes and Li+, cations and anions in ionic liquids, as well as Li+ diffusion phenomena in inorganic solid electrolytes will be described.
  • Diffusion NMR spectroscopy applied to coordination and organometallic
    • Abstract: Publication date: Available online 22 May 2019Source: Annual Reports on NMR SpectroscopyAuthor(s): Álvaro Raya-Barón, Pascual Oña-Burgos, Ignacio FernándezAbstractThis chapter illustrates an extensive review of the application of diffusion NMR techniques on coordination compounds and organometallic systems that gives an idea of the extraordinary progress that this field has achieved, whether using PGSE or DOSY methodologies. The estimation of diffusion parameters using all the advantages of high-resolution NMR spectroscopy specially with modern probeheads, that allow the use of intense gradient fields and the tuning of less conventional nuclei, have begun new perspectives to determine the size and shape of many molecular systems in solution. In both, supramolecular architectures or smaller metallic complexes, this type of measurements allows one to assess their aggregation state, character of intermolecular interactions, stability or association constants between different hosts and guests, among many other interesting features. The main aim of this review is to present an overview of the PGSE and DOSY NMR mapping and its applications in inorganic systems, specifically coordination compounds based on transition metals, alkaline, alkaline-earth, main-group, and rare earth metal centres, as well as cluster complexes and metal-based supramolecular structures. A brief introduction to pulse-field gradient NMR is also given, with special emphasis on the methodological procedures that can be used to obtain good quality data, providing different possibilities when choosing different variables, such as the correct pulse sequence or the right equation that govern both the friction and/or shape factor. The material given in this review are appealing in its simplicity, offer chemically useful results and we believe they should significantly boost the use of diffusion NMR measurements.
  • Recent NMR/MRI studies of biofilm structures and dynamics
    • Abstract: Publication date: Available online 23 April 2019Source: Annual Reports on NMR SpectroscopyAuthor(s): Maria Pia Herrling, Susanne Lackner, Hermann Nirschl, Harald Horn, Gisela GuthausenAbstractBiofilm systems consist of complex microbial communities embedded in hydrated bio-macromolecules. These biological systems have been studied by diverse analytical techniques, among them by nuclear magnetic resonance and imaging. There are still open questions regarding structure and functionality. In this review, nuclear magnetic resonance approaches, especially in form of magnetic resonance imaging and diffusion modalities, are summarized with respect to insights into biofilm structure, diffusion and advection, i.e. mass transport. Furthermore, possibilities and limitations regarding metabolomics are recapitulated and analysed with respect to open research questions. Perspectives for biofilm research will be discussed from the point of view of current technical and methodical developments of nuclear magnetic resonance. The impact of the named nuclear magnetic resonance techniques will be reflected in the context of water treatment and biofilm development in porous media as well as in technical applications such as biofilm reactors and biofiltration.
  • Solid-state NMR of nanocrystals
    • Abstract: Publication date: Available online 4 February 2019Source: Annual Reports on NMR SpectroscopyAuthor(s): Torsten Gutmann, Pedro B. Groszewicz, Gerd BuntkowskyAbstractRecent advances in solid-state nuclear magnetic resonance (NMR) spectroscopy and dynamic nuclear polarization (DNP) of nanostructured materials are reviewed. A first group of materials is based on crystalline nanocellulose (CNC) or microcrystalline cellulose (MCC), which are used as carrier materials for dye molecules, catalysts or in combination with heterocyclic molecules as ion conducting membranes. These materials have widespread applications in sensorics, optics, catalysis or fuel cell research. A second group are metal oxides such as V-Mo-W oxides, which are of enormous importance in the manufacturing process of basic chemicals. The third group are catalytically active nanocrystalline metal nanoparticles, coated with protectants or embedded in polymers. The last group includes of lead-free perovskite materials, which are employed as environmentally benign substitution materials for conventional lead-based electronics materials. These materials are discussed in terms of their application and physico-chemical characterization by solid-state NMR techniques, combined with gas-phase NMR and quantum-chemical modelling on the density functional theory (DFT) level. The application of multinuclear 1H, 2H, 13C, 15N and 23Na solid state NMR techniques under static or MAS conditions for the characterization of these materials, their surfaces and processes on their surfaces is discussed. Moreover, the analytic power of the combination of these techniques with DNP for the identification of low-concentrated carbon and nitrogen containing surface species in natural abundance is reviewed. Finally, approaches for sensitivity enhancement by DNP of quadrupolar nuclei such as 17O and 51V are presented that enable the identification of catalytic sites in metal oxide catalysts.
  • NMR as a powerful tool to study lithium ion battery electrolytes
    • Abstract: Publication date: Available online 30 January 2019Source: Annual Reports on NMR SpectroscopyAuthor(s): Simon Wiemers-Meyer, Martin Winter, Sascha NowakAbstractThe properties of a lithium ion battery (LIB) are determined by the interplay of its components. In this regard, it is essential to understand the interactive behaviour of the electrolyte as it interacts with both the positive and the negative electrode as well as with the separator and other inactive cell components. The behaviour of LIB electrolytes including their chemical and electrochemical reactions can be monitored by means of numerous analytical techniques. NMR spectroscopy demonstrated to be one of the most powerful analysis methods. Analysing LIB electrolytes appeared very challenging, as they generate many reaction products that are highly reactive, particularly in the presence of water. In this regard, NMR spectroscopy proved itself valuable since it enables contact-free measurements of samples inside protective vessels. This review describes the progress in analysing LIB electrolytes starting from qualitative studies on the formation of degradation products. Additionally, it includes early quantitative studies to gain deeper insights into chemical reactions as well as the development of new NMR methods providing results that partially revise previous works. Finally, in situ NMR methods that enable the analysis of electrolytes inside of an intact battery cell are discussed.
  • Ultrafast NMR diffusion and relaxation studies
    • Abstract: Publication date: Available online 30 January 2019Source: Annual Reports on NMR SpectroscopyAuthor(s): Ville-Veikko Telkki, Vladimir V. ZhivonitkoAbstractRelaxation and diffusion NMR experiments, called also Laplace NMR experiments, provide detailed information about rotational and translational motion of molecules. Furthermore, they offer chemical resolution complementary to spectra. The resolution and information content of the experiments can be improved by a multidimensional approach. The approach enables one to determine the correlations between the relaxation and diffusion parameters and study chemical or physical exchange. However, the multidimensional approach is slow, as the experiment has to be repeated many times with incremented evolution time. In the ultrafast Laplace NMR method, the various evolution times are encoded into layers of the sample. This enables one to measure multidimensional data in a single scan, reducing the experiment time by one to three orders of magnitude. In addition, the single-scan approach facilitates significantly the use of modern hyperpolarization methods to increase the sensitivity of the experiment by several orders of magnitude. This review describes the principles of ultrafast Laplace NMR and highlights its applications in various disciplines, including those using low-field, mobile, single-sided NMR instruments.
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