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Progress in Nuclear Magnetic Resonance Spectroscopy

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https://www.readbyqxmd.com/read/29548367/carbon-carbon-spin-spin-coupling-constants-practical-applications-of-theoretical-calculations
#1
REVIEW
Leonid B Krivdin
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.
April 2018: Progress in Nuclear Magnetic Resonance Spectroscopy
https://www.readbyqxmd.com/read/29548366/solution-nmr-of-snares-complexin-and-%C3%AE-synuclein-in-association-with-membrane-mimetics
#2
REVIEW
Binyong Liang, Lukas K Tamm
SNARE-mediated membrane fusion is a ubiquitous process responsible for intracellular vesicle trafficking, including membrane fusion in exocytosis that leads to hormone and neurotransmitter release. The proteins that facilitate this process are highly dynamic and adopt multiple conformations when they interact with other proteins and lipids as they form highly regulated molecular machines that operate on membranes. Solution NMR is an ideal method to capture high-resolution glimpses of the molecular transformations that take place when these proteins come together and work on membranes...
April 2018: Progress in Nuclear Magnetic Resonance Spectroscopy
https://www.readbyqxmd.com/read/29548365/multiparametric-mp-mri-of-prostate-cancer
#3
REVIEW
Virendra Kumar, Girdhar S Bora, Rajeev Kumar, Naranamangalam R Jagannathan
Prostate cancer (PCa) is one of the most prevalent cancers in men. A large number of men are detected with PCa; however, the clinical behavior ranges from low-grade indolent tumors that never develop into a clinically significant disease to aggressive, invasive tumors that may rapidly progress to metastatic disease. The challenges in clinical management of PCa are at levels of screening, diagnosis, treatment, and follow-up after treatment. Magnetic resonance imaging (MRI) methods have shown a potential role in detection, localization, staging, assessment of aggressiveness, targeting biopsies, etc...
April 2018: Progress in Nuclear Magnetic Resonance Spectroscopy
https://www.readbyqxmd.com/read/29548364/protein-labeling-strategies-for-liquid-state-nmr-spectroscopy-using-cell-free-synthesis
#4
REVIEW
Beate Hoffmann, Frank Löhr, Aisha Laguerre, Frank Bernhard, Volker Dötsch
Preparation of a protein sample for liquid-state nuclear magnetic resonance (NMR) spectroscopy analysis requires optimization of many parameters. This review describes labeling strategies for obtaining assignments of protein resonances. Particular emphasis is placed on the advantages of cell-free protein production, which enables exclusive labeling of the protein of interest, thereby simplifying downstream processing steps and increasing the availability of different labeling strategies for a target protein...
April 2018: Progress in Nuclear Magnetic Resonance Spectroscopy
https://www.readbyqxmd.com/read/29405981/environmental-metabolomics-with-data-science-for-investigating-ecosystem-homeostasis
#5
REVIEW
Jun Kikuchi, Kengo Ito, Yasuhiro Date
A natural ecosystem can be viewed as the interconnections between complex metabolic reactions and environments. Humans, a part of these ecosystems, and their activities strongly affect the environments. To account for human effects within ecosystems, understanding what benefits humans receive by facilitating the maintenance of environmental homeostasis is important. This review describes recent applications of several NMR approaches to the evaluation of environmental homeostasis by metabolic profiling and data science...
February 2018: Progress in Nuclear Magnetic Resonance Spectroscopy
https://www.readbyqxmd.com/read/29405980/multiscale-nuclear-magnetic-relaxation-dispersion-of-complex-liquids-in-bulk-and-confinement
#6
REVIEW
Jean-Pierre Korb
The nuclear magnetic relaxation dispersion (NMRD) technique consists of measurement of the magnetic-field dependence of the longitudinal nuclear-spin-lattice relaxation rate 1/T1 . Usually, the acquisition of the NMRD profiles is made using a fast field cycling (FFC) NMR technique that varies the magnetic field and explores a very large range of Larmor frequencies (10 kHz < ω0 /(2π) <40 MHz). This allows extensive explorations of the fluctuations to which nuclear spin relaxation is sensitive...
February 2018: Progress in Nuclear Magnetic Resonance Spectroscopy
https://www.readbyqxmd.com/read/29405979/the-nmr-split-peak-effect-in-cell-suspensions-historical-perspective-explanation-and-applications
#7
REVIEW
Philip W Kuchel, Kiaran Kirk, Dmitry Shishmarev
The physicochemical environment inside cells is distinctly different from that immediately outside. The selective exchange of ions, water and other molecules across the cell membrane, mediated by integral, membrane-embedded proteins is a hallmark of living systems. There are various methodologies available to measure the selectivity and rates (kinetics) of such exchange processes, including several that take advantage of the non-invasive nature of NMR spectroscopy. A number of solutes, including particular inorganic ions, show distinctive NMR behaviour, in which separate resonances arise from the intra- and extracellular solute populations, without the addition of shift reagents, differences in pH, or selective binding partners...
February 2018: Progress in Nuclear Magnetic Resonance Spectroscopy
https://www.readbyqxmd.com/read/29157495/calculation-of-15-n-nmr-chemical-shifts-recent-advances-and-perspectives
#8
REVIEW
Leonid B Krivdin
Recent advances in computation of15 N NMR chemical shifts are reviewed, concentrating mainly on practical aspects of computational protocols and accuracy factors. The review includes the discussion of the level of theory, the choice of density functionals and basis sets together with taking into account solvent effects, rovibrational corrections and relativistic effects. Computational aspects of15 N NMR are illustrated for the series of neutral and protonated open-chain nitrogen-containing compounds and nitrogen heterocycles, coordination and intermolecular complexes...
November 2017: Progress in Nuclear Magnetic Resonance Spectroscopy
https://www.readbyqxmd.com/read/29157494/plant-metabolism-as-studied-by-nmr-spectroscopy
#9
REVIEW
Catherine Deborde, Annick Moing, Léa Roch, Daniel Jacob, Dominique Rolin, Patrick Giraudeau
The study of plant metabolism impacts a broad range of domains such as plant cultural practices, plant breeding, human or animal nutrition, phytochemistry and green biotechnologies. Plant metabolites are extremely diverse in terms of structure or compound families as well as concentrations. This review attempts to illustrate how NMR spectroscopy, with its broad variety of experimental approaches, has contributed widely to the study of plant primary or specialized metabolism in very diverse ways. The review presents recent developments of one-dimensional and multi-dimensional NMR methods to study various aspects of plant metabolism...
November 2017: Progress in Nuclear Magnetic Resonance Spectroscopy
https://www.readbyqxmd.com/read/29157493/atomic-resolution-conformational-dynamics-of-intrinsically-disordered-proteins-from-nmr-spin-relaxation
#10
REVIEW
Nicola Salvi, Anton Abyzov, Martin Blackledge
Nuclear magnetic resonance (NMR) spectroscopy is one of the most powerful experimental approaches for investigating the conformational behaviour of intrinsically disordered proteins (IDPs). IDPs represent a significant fraction of all proteomes, and, despite their importance for understanding fundamental biological processes, the molecular basis of their activity still remains largely unknown. The functional mechanisms exploited by IDPs in their interactions with other biomolecules are defined by their intrinsic dynamic modes and associated timescales, justifying the considerable interest over recent years in the development of technologies adapted to measure and describe this behaviour...
November 2017: Progress in Nuclear Magnetic Resonance Spectroscopy
https://www.readbyqxmd.com/read/29157492/biomolecular-mri-reporters-evolution-of-new-mechanisms
#11
REVIEW
Arnab Mukherjee, Hunter C Davis, Pradeep Ramesh, George J Lu, Mikhail G Shapiro
Magnetic resonance imaging (MRI) is a powerful technique for observing the function of specific cells and molecules inside living organisms. However, compared to optical microscopy, in which fluorescent protein reporters are available to visualize hundreds of cellular functions ranging from gene expression and chemical signaling to biomechanics, to date relatively few such reporters are available for MRI. Efforts to develop MRI-detectable biomolecules have mainly focused on proteins transporting paramagnetic metals for T1 and T2 relaxation enhancement or containing large numbers of exchangeable protons for chemical exchange saturation transfer...
November 2017: Progress in Nuclear Magnetic Resonance Spectroscopy
https://www.readbyqxmd.com/read/29157491/monitoring-protein-folding-through-high-pressure-nmr-spectroscopy
#12
REVIEW
Julien Roche, Catherine A Royer, Christian Roumestand
High-pressure is a well-known perturbation method used to destabilize globular proteins. It is perfectly reversible, which is essential for a proper thermodynamic characterization of a protein equilibrium. In contrast to other perturbation methods such as heat or chemical denaturant that destabilize protein structures uniformly, pressure exerts local effects on regions or domains of a protein containing internal cavities. When combined with NMR spectroscopy, hydrostatic pressure offers the possibility to monitor at a residue level the structural transitions occurring upon unfolding and to determine the kinetic properties of the process...
November 2017: Progress in Nuclear Magnetic Resonance Spectroscopy
https://www.readbyqxmd.com/read/29157490/dynamic-nuclear-polarization-for-sensitivity-enhancement-in-modern-solid-state-nmr
#13
REVIEW
Aany Sofia Lilly Thankamony, Johannes J Wittmann, Monu Kaushik, Björn Corzilius
The field of dynamic nuclear polarization has undergone tremendous developments and diversification since its inception more than 6 decades ago. In this review we provide an in-depth overview of the relevant topics involved in DNP-enhanced MAS NMR spectroscopy. This includes the theoretical description of DNP mechanisms as well as of the polarization transfer pathways that can lead to a uniform or selective spreading of polarization between nuclear spins. Furthermore, we cover historical and state-of-the art aspects of dedicated instrumentation, polarizing agents, and optimization techniques for efficient MAS DNP...
November 2017: Progress in Nuclear Magnetic Resonance Spectroscopy
https://www.readbyqxmd.com/read/29157489/nmr-based-pharmacometabonomics-a-new-paradigm-for-personalised-or-precision-medicine
#14
REVIEW
Jeremy R Everett
Metabolic profiling by NMR spectroscopy or hyphenated mass spectrometry, known as metabonomics or metabolomics, is an important tool for systems-based approaches in biology and medicine. The experiments are typically done in a diagnostic fashion where changes in metabolite profiles are interpreted as a consequence of an intervention or event; be that a change in diet, the administration of a drug, physical exertion or the onset of a disease. By contrast, pharmacometabonomics takes a prognostic approach to metabolic profiling, in order to predict the effects of drug dosing before it occurs...
November 2017: Progress in Nuclear Magnetic Resonance Spectroscopy
https://www.readbyqxmd.com/read/28844222/recent-advances-in-parallel-imaging-for-mri
#15
REVIEW
Jesse Hamilton, Dominique Franson, Nicole Seiberlich
Magnetic Resonance Imaging (MRI) is an essential technology in modern medicine. However, one of its main drawbacks is the long scan time needed to localize the MR signal in space to generate an image. This review article summarizes some basic principles and recent developments in parallel imaging, a class of image reconstruction techniques for shortening scan time. First, the fundamentals of MRI data acquisition are covered, including the concepts of k-space, undersampling, and aliasing. It is demonstrated that scan time can be reduced by sampling a smaller number of phase encoding lines in k-space; however, without further processing, the resulting images will be degraded by aliasing artifacts...
August 2017: Progress in Nuclear Magnetic Resonance Spectroscopy
https://www.readbyqxmd.com/read/28844221/mri-of-chemical-reactions-and-processes
#16
REVIEW
Melanie M Britton
As magnetic resonance imaging (MRI) can spatially resolve a wealth of molecular information available from nuclear magnetic resonance (NMR), it is able to non-invasively visualise the composition, properties and reactions of a broad range of spatially-heterogeneous molecular systems. Hence, MRI is increasingly finding applications in the study of chemical reactions and processes in a diverse range of environments and technologies. This article will explain the basic principles of MRI and how it can be used to visualise chemical composition and molecular properties, providing an overview of the variety of information available...
August 2017: Progress in Nuclear Magnetic Resonance Spectroscopy
https://www.readbyqxmd.com/read/28844220/self-diffusion-studies-by-intra-and-inter-molecular-spin-lattice-relaxometry-using-field-cycling-liquids-plastic-crystals-porous-media-and-polymer-segments
#17
REVIEW
Rainer Kimmich, Nail Fatkullin
Field-cycling NMR relaxometry is a well-established technique for probing molecular dynamics in a frequency range from typically a few kHz up to several tens of MHz. For the interpretation of relaxometry data, it is quite often assumed that the spin-lattice relaxation process is of an intra-molecular nature so that rotational fluctuations dominate. However, dipolar interactions as the main type of couplings between protons and other dipolar species without quadrupole moments can imply appreciable inter-molecular contributions...
August 2017: Progress in Nuclear Magnetic Resonance Spectroscopy
https://www.readbyqxmd.com/read/28844219/static-solid-state-2-h-nmr-methods-in-studies-of-protein-side-chain-dynamics
#18
REVIEW
Liliya Vugmeyster, Dmitry Ostrovsky
In this review, we discuss the experimental static deuteron NMR techniques and computational approaches most useful for the investigation of side-chain dynamics in protein systems. Focus is placed on the interpretation of line shape and relaxation data within the framework of motional modeling. We consider both jump and diffusion models and apply them to uncover glassy behaviors, conformational exchange and dynamical transitions in proteins. Applications are chosen from globular and membrane proteins, amyloid fibrils, peptide adsorbed on surfaces and proteins specific to connective tissues...
August 2017: Progress in Nuclear Magnetic Resonance Spectroscopy
https://www.readbyqxmd.com/read/28552172/protein-folding-by-nmr
#19
REVIEW
Anastasia Zhuravleva, Dmitry M Korzhnev
Protein folding is a highly complex process proceeding through a number of disordered and partially folded nonnative states with various degrees of structural organization. These transiently and sparsely populated species on the protein folding energy landscape play crucial roles in driving folding toward the native conformation, yet some of these nonnative states may also serve as precursors for protein misfolding and aggregation associated with a range of devastating diseases, including neuro-degeneration, diabetes and cancer...
May 2017: Progress in Nuclear Magnetic Resonance Spectroscopy
https://www.readbyqxmd.com/read/28552171/advanced-solid-state-nmr-spectroscopy-of-natural-organic-matter
#20
REVIEW
Jingdong Mao, Xiaoyan Cao, Dan C Olk, Wenying Chu, Klaus Schmidt-Rohr
Solid-state NMR is essential for the characterization of natural organic matter (NOM) and is gaining importance in geosciences and environmental sciences. This review is intended to highlight advanced solid-state NMR techniques, especially a systematic approach to NOM characterization, and their applications to the study of NOM. We discuss some basics of how to acquire high-quality and quantitative solid-state13 C NMR spectra, and address some common technical mistakes that lead to unreliable spectra of NOM...
May 2017: Progress in Nuclear Magnetic Resonance Spectroscopy
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