Showing papers in "Progress in Nuclear Magnetic Resonance Spectroscopy in 2018"

TL;DR: An overview of some of the latest methodological developments in human ultra-high field MRI/MRS as well as associated clinical and scientific applications is presented, with emphasis on techniques that particularly benefit from the changing physical characteristics at high magnetic fields.

TL;DR: This review presents the principles, theories and applications of NMRD for characterizing fundamental properties such as surface correlation times, diffusion coefficients and dynamical surface affinity (NMR wettability) for various confined liquids, and concerns the extension of FFC NMR relaxation to industrial applications.

TL;DR: The complementarity of different NMR parameters for quantifying the conformational propensities of IDPs in their isolated and phosphorylated states are described and the challenges associated with obtaining structural models of dynamic protein-protein complexes involving IDPs are discussed.

TL;DR: This review article provides a description of several spatial encoding and spatial selection methods, including single-scan multidimensional experiments (ultrafast 2D NMR, DOSY, Z spectroscopy, inversion recovery and Laplace NMR), pure shift and selective refocusing experiments, including Zangger-Sterk decoupling, G-SERF and PSYCHE, a Z filter, and fast-pulsing slice-selective experiments.

TL;DR: Practical applications of theoretical calculations of carbon-carbon spin-spin coupling constants in particular classes of organic and bioorganic molecules are reviewed, concentrating mainly on saturated, unsaturated, aromatic and heteroaromatic compounds and their functional derivatives as well as on carbohydrates and natural compounds.

TL;DR: This review of the development and application of chemical shift-based methods for structure determination with a focus on ab initio fragment assembly, comparative modeling, oligomeric systems, and automated assignment methods points out emerging areas of development that lead us towards the next generation of tools.

TL;DR: The wide scope of different applications of calculated carbon-hydrogen couplings in the structural elucidation of particular classes of organic and bioorganic molecules is reviewed, concentrating mainly on saturated, unsaturated, aromatic and heteroaromatic compounds and their functional derivatives, as well as on natural compounds and carbohydrates.

TL;DR: This review describes recent applications of several NMR approaches to the evaluation of environmental homeostasis by metabolic profiling and data science and describes methods for data pretreatment in solid-state NMR and for environmental feature extraction from heterogeneously-measured spectroscopic data by machine learning approaches.

TL;DR: A review of recent advances in solid-state nuclear magnetic resonance (SSNMR) studies of exotic nuclei, which discusses some of the recent progress in pulse sequences and hardware development which continues to enable researchers to study new kinds of materials as well as previously unfeasible nuclei.

TL;DR: This review provides a practical guide for the first steps of studying biological supra-molecular assemblies using ssNMR, and detailed and practical considerations are presented with respect to first setting up magic-angle spinning (MAS) ssN MR experiments.

TL;DR: Solid-state MAS NMR assignment methods using carbon detection and proton detection at different deuteration levels are described and the use of different isotopic labelling schemes as an aid to assignment in difficult cases is discussed.

TL;DR: Multiparametric MRI (mpMRI) is emerging as a better option compared to the individual imaging methods used in the evaluation of PCa and can potentially not only guide patient selection for initial and repeat biopsy but also reduce false-negative biopsies.

TL;DR: This review describes labeling strategies for obtaining assignments of protein resonances based on different labeling schemes as well as on new pulse sequences to decrease spectral overlap and overcome size limitations for solution NMR analysis of larger complexes, oligomers, intrinsically disordered proteins and membrane proteins.

TL;DR: Different approaches to the measurement of scalar coupling constants are reviewed here with several applications presented.

TL;DR: The range of MR-based measurements are considered and the findings in AD are described, but also contrast these with the second most common dementia, dementia with Lewy bodies (DLB), where the most definitive observation is the major structural brain changes seen in AD using conventional T1-weighted MRI.

TL;DR: This review aims to provide a comprehensive overview of the topic of high pressure research and its fairly young and brief relationship with NMR.

TL;DR: Different membrane-mimetic systems that are commonly used or that show promise for solution NMR studies of membrane-interacting proteins are summarized to provide a structural and dynamical framework for how these proteins might carry out their functions in the vicinity of lipid membranes.

TL;DR: In this article, the authors present a review of metabolism in the healthy and diseased heart, give an introduction to the hyperpolarization technique, dynamic nuclear polarisation (DNP), and review the preclinical studies that have thus far explored healthy cardiac metabolism and different models of human heart disease.

TL;DR: This review discusses modifications and extensions of the originalSERF, an NMR pulse sequence for selectively measuring a spin coupling constant without interference from other couplings, and provides pertinent examples.

TL;DR: The explanation for the 'split peak effect/phenomenon', based on the differential hydrogen bonding of the reporter solutes to water, and the various ways in which this phenomenon has been used to investigate aspects of cellular biochemistry and physiology are the topics of this review.