Resonator, virtual

Keywords Dmg discovery, FAST-NMR, In silica screening, Ligand affinity screens, Molecular docking. Nuclear magnetic resonance, Virtual screening... 

Su YX, Liao GQ, Kang Z, Zou Y (2006) Application of magnetic resonance virtual endoscopy as a presurgical procedure before sialoendoscopy. Laryngoscope 116 1899-1906... 

Neri E, Caramella D, Boraschi P et al (1999c) Magnetic resonance virtual endoscopy of the common bile duct stones. Surg Endosc 13 632-633... 

Figure 5.13. A virtual impactor uses a reservoir of air, which forms a virtual surface at the top of the reservoir, to capture fineparticles in the attempt to avoid the problems of bounce and reentrainment. a) A simple reservoir used to create a virtual surface can resonate and cause some fineparticles to be lost, b) Using a filter at the base of the reservoir, to allow l/50th of the total flow to pass through the reservoir, eliminates the problem of the resonating virtual surface.

The addition of a third element to an ordered binary alloy can modify considerably the point-defect properties for example, the behavior of FeCo-2% V is very complex, because vanadium forms a resonant virtual bound state at the Fermi level, the partial filling of which depends strongly on the state of order (Riviire et al., 1983b). Solutes (specifically Mn, Re, and Ti) have also been shown to have complicated effects in CoAl (Fleischer, 1993). 

There is, in principle, no reason why linear combinations should not be made between AOs which have the correct symmetry but very different energies, such as the lx orbital on the oxygen atom and the lx orbital on the phosphorus atom. The result would be that the resonance integral /i (see Figure 7.12) would be extremely small so that the MOs would be virtually unchanged from the AOs and the linear combination would be ineffective. 

Perhaps the best known oxide of nitrogen is N20, commonly called nitrous oxide or laughing gas. Nitrous oxide is frequently used as an anesthetic, particularly in dentistry. It is also the propellant gas used in whipped cream containers N20 is nontoxic, virtually tasteless, and quite soluble in vegetable oils. The N20 molecule, like all those in Figure 21.6, can be represented as a resonance hybrid. 

Figure 2.61 The methyl region of the H NMR spectrum of mer-RhCl1(PMe2Ph)3 demonstrating the virtual coupling of the resonances as a result of the mutually tra/w-phosphines. (Reproduced with permission from S.A. Cotton and F.A. Hart, The Heavy Transition Elements, published by Macmillan Press Ltd, 1975.)...

Flohr S, Kurz M, Kostenis E, Brkovich A, Fournier A, Klabunde T. Identification of nonpeptidic urotensin II receptor antagonists by virtual screening based on a pharmacophore model derived from structure-activity relationships and nuclear magnetic resonance studies on urotensin II. J Med Ghent 2002 45 1799-805. 

Fig. 2.4 Energy separation of y-emission and absorption lines caused by recoil of resting free nuclei (2 r lO T, note the three separate sections of the energy scale). Since there is virtually no overlap between emission and absorption line, resonant absorption is not possible...

Raman spectroscopy has enjoyed a dramatic improvement during the last few years the interference by fluorescence of impurities is virtually eliminated. Up-to-date near-infrared Raman spectrometers now meet most demands for a modern analytical instrument concerning applicability, analytical information and convenience. In spite of its potential abilities, Raman spectroscopy has until recently not been extensively used for real-life polymer/additive-related problem solving, but does hold promise. Resonance Raman spectroscopy exhibits very high selectivity. Further improvements in spectropho-tometric measurement detection limits are also closely related to advances in laser technology. Apart from Raman spectroscopy, areas in which the laser is proving indispensable include molecular and fluorescence spectroscopy. The major use of lasers in analytical atomic... 

On the other hand, resonance assignments for CP of threonine and serine, and C and Cy of hydroxy proline, were difficult to make, because of their proximity to carbohydrate carbon resonances. In most cases then, the resonances were assigned on the basis of the effects of pH on the chemical shifts of those resonances. It was shown that the chemical shifts for the carbohydrate carbon resonances were virtually unaffected (AS 0.4 p.p.m.) when going from the cationic state (pH 2) to the anionic state (pH 11) of the amino acid residues. The chemical shifts of C and CP of the amino acid residues, however, shifted considerably (up to 3.1 and 6.6 p.p.m. for C" and CP, respectively see Table VI). 

Taking into consideration that antenna xanthophylls not only possess original absorption but also resonance Raman spectra, and the fact that the Raman signal is virtually free from vibrational spectroscopy artifacts (water, sample condition, etc.), it seemed of obvious advantage to apply the described combination of spectroscopies for the identification of these pigments. 

The g- and 14N hyperfine matrices are approximately axial for this radical, but the g axis lies close to the perpendicular plane of the hyperfine matrix. If the g axis was exactly in the A plane, the three negative-going gN, A features, corresponding to resonant field maxima, would be evenly spaced. In fact, the spacings are very uneven - far more so than can be explained by second-order shifts. The effect can be understood, and the spectrum simulated virtually exactly, if the gN axis is about 15° out of the A plane. 

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