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English
Materials Science
Molecular Medicine
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Modeling NMR Chemical Shifts
This article presents a discussion of the origin of the chemical shieldings, which is followed by a discussion on how they are calculated using state-of-the-art electronic structure methods. Several examples o...
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Applications of Cryogenic NMR Probe Technology for the Identification of Low-Level Impurities in Pharmaceuticals
Following the detection of low-level impurities in pharmaceuticals, structural characterization of these components represents a continuing challenge. Irrespective of whether the impurity in question arises fr...
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Experimental Cardiovascular MR in Small Animals
Genetically modified mice and (to a lesser degree) rats are frequently used as models for human cardiac disease. Since the genomes of both mouse and humans have now been fully analyzed, major research programs...
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New Approaches to NMR Data Acquisition, Assignment and Protein Structure Determination: Potential Impact in Drug Discovery
The majority of drugs available today were discovered either from chance observations or from the screening of synthetic or natural product libraries. The chemical modification of lead compounds, on a trial-an...
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Structural Glycobiology by Stable-isotope-assisted NMR Spectroscopy
Recent advances in structural biology have made possible the high-throughput structural determination of proteins, which is reflected in the very rapid growth of Protein Data Bank content. In structural proteo...
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Solid State 19F-NMR Analysis of Oriented Biomembranes
The 19F nucleus offers numerous advantages for solid state NMR, being first and foremost its high sensitivity that is only exceeded by 1H. Especially in non-crystallizable biological samples, such as membranes an...
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NMR Imaging of Dairy Products
Most MRI applications to dairy products are based on the sensitivity of relaxation time to chemical composition and changes in structure. It should therefore be borne in mind that for many dairy products the N...
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Rheo-NMR Spectroscopy
Rheology, the science of deformation and flow, is of practical importance for the preparation, processing or application of different materials such as plastics, paints, detergents, oil or food [1]. Besides th...
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Solid State NMR of Xerogels
Xerogels, aerogels and other nanoporous solids are an important class of materials in electrochemical and catalytic process design. The preparation of these materials by sol-gel processing has become an import...
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19F NMR Study of b-Type Haemoproteins
Because of their ubiquitousness and abundance as well as their many unique physicochemical properties arising primarily from the presence of a haem group, usually an iron-protoporphyrin IX complex (protohaem; ...
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Application of Pharmacological MRI to Preclinical Drug Discovery and Development
Several neuroimaging techniques now exist that provide ways of studying functional activity in the living brain. Having been widely used in the fields of cognitive and sensory neuroscience, functional neuroima...
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Two-Dimensional NMR Analysis of Stereoregularity of Polymers
Analysis of couplings by 2D HSQC, TOCSY, and HMBC spectroscopy enable the unambiguous and comprehensive assignments of the carbon and proton resonances of vinyl polymers [1–4].
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Crystal Structure Refinement Using Chemical Shifts
The NMR chemical shift is available from practically every conventional NMR experiment. In contrast to X-ray diffraction it is mainly caused by the density distribution of the valence electrons, hence it conta...
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Novel Uses of Paramagnets to Solve Complex Protein Structures
NMR is a critical tool in current structural biology, and plays a significant role in the understanding of pharmacologically significant proteins, as well as the development of modulators for these proteins. T...
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Nuclear Magnetic Resonance of Oriented Bilayer Systems
It is important to elucidate the membrane bound structure of biologically active molecules such as membrane associated pep tides and membrane proteins. It is also realized that not only the structure but also ...
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Anisotropie Chemical Shift Perturbation Induced by Ions in Conducting Channels
Anisotropie chemical shifts observed from solid-state NMR spectroscopy of uniformly aligned samples can be influenced by three primary factors: a change in orientation of the nuclear site, a change in dynamics...
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MRI in Food Process Engineering
Most foods (initial/final) and food components are disperse multiphase systems (suspensions, foams, emulsions, porous/dry/wet bulk solids). Aspects of the material properties essential for both consumer and pr...
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Direct Exponential Curve Resolution by Slicing
Several types of NMR experiments result in data that may be described as a sum of exponential functions (T1 weighted signals, T2 weighted signals, and gradient weighted signals). In order to be able to understand...
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The Structure of Oxide Glasses: Insights from 17O NMR
As a probe of local structure in network forming oxide glasses, 17O nuclear magnetic resonance (NMR) spectroscopy has been an invaluable tool [1-10]. The analysis of oxygen in these glasses is vital because their...
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Crystalline Structure of Ethylene Copolymers and Its Relation to the Comonomer Content
Ethylene copolymers are a large group of polymer material with a lot of industrial applications [1]. They usually consist of two types of monomers. One is the ethylene unit and the other one is the comonomer u...
