Virtual magnetic resonance spectroscopy

R240 B. J. Soher, K. Young and L. Kaiser, Virtual Magnetic Resonance Spectroscopy Spectral Simulation and Its Apphcations , in Annual Reports on NMR Spectroscopy, ed. G. A. Webb, Elsevier, 2010, Vol. 71, p. 77. 

Basic principles of MRS. The overall physical principles and characteristics of magnetic resonance spectroscopy (MRS) are identical to those described previously in the MRI section. In fact, magnetic resonance spectroscopy can simply be thought of as just another way of expressing the NMR signals that are recorded during an NMR experiment. Whether it is an MRI or and MRS experiment, virtually all of the same equipment is used and all of the basic NMR principles still apply. The prime difference that separates basic MRS from modern-day MRI is that in MRS, the... 

A feature of Horowitz and Gentili s work was the use of nuclear magnetic resonance spectroscopy. They showed that the 5 value for the benzylic proton [Hb in structure (7)], at C-1 of the D-glucose side-chain in vitexin, is virtually unchanged in the hepta-O-methyl and hepta-O-acetyl derivatives from this, it follows that the carbon atom which carries this proton cannot also carry a hydroxyl group (otherwise, acetylation would cause the signal to shift to much lower field, and methylation, to a higher field)... 

Very high resolution systems (voxel diameters of 1 mm or less) may replace exploratory procedures such as endoscopy. The scan data can be processed interactively to give the physician views corresponding to a virtual endoscopic examination under his control. However, parallel studies in which hundreds of patients receive literal or virtual visualization procedures with comparison of diagnostic accuracy, and long term outcome will be necessary before virtual examinations can be accepted as the standard of medical care, see also Nuclear Magnetic Resonance Spectroscopy. 

Spectroscopic methods have been applied to the elucidation of the structures in coal from very early in the development of the methods (Speight, 1978). In the initial stages of the evolution of the spectroscopic methods, the data derived by their application to coal were more of a diagnostic nature as, for example, determination of functional entities or carbon-hydrogen bonds by means of infrared spectroscopy or determination of aromatic and aliphatic hydrogen by proton magnetic resonance spectroscopy. However, virtually all of the methods have at one time or another been applied to coal as a means of deriving more detailed information about coal structure with special emphasis on the... 

Part 2 Spectroscopy, is entirely on CD-ROM and cortsists of a suite of eleven programs together with self-assessment questions and summaries. The techniques of infrared, Raman, and nuclear magnetic resonance spectroscopy are taught using animations and virtual experiments to provide the underpinning for the spectroscopic theory. The reader shares In the development of the theory, and explores the interaction of radiation with molecules. 

Translational motion occurs in liquid and gas phases of water, but is virtually eliminated in the solid phase (ice). Translational motion of water molecules can be measured using NMR and magnetic resonance imaging (MRI) spectroscopy (Sun and Schmidt, 1995). 

Virtually, all students of chemistry, biochemistry, pharmacy and related subjects learn how to deduce molecular structures from nuclear magnetic resonance (NMR) spectra. Undergraduate examinations routinely set problems using NMR spectra, and masters and doctoral theses describing novel synthetic or natural products provide many examples of how powerful NMR has become in structure elucidation. Existing texts on NMR spectroscopy generally deal with the physical background of the newer and older techniques as well as the relationships between NMR parameters and chemical structures. Very few, however, convey the know-how of structure... 

The first Chapter on nuclear magnetic resonance2 in this Series was devoted principally to p.m.r. spectroscopy, because, up to 1964, virtually no magnetic resonance studies of other nuclei in carbohydrates and their derivatives had been made. The present Chapter is also concerned mainly with the p.m.r. technique, in the expectation that the broad subject of nuclei other than protons will be treated separately in this Series. 

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