Deuterium magnetic resonance spectroscopy

Deuterium magnetic resonance spectroscopy has found wider applications since the advent of highly sensitive Fourier transform spectrometers. Deuterium is preferred choice in molecular and in H NMR spectroscopy in order to provide additional information about proton vibrations and resonances spectra measured before and after deuteration help to locate the exchanging hydrogen atoms. 

Giraudon, S., Danzart, M., and Merle, M. H. (2000). Deuterium nuclear magnetic resonance spectroscopy and stable carbon isotope ratio analysis/mass spectrometry of certain monofloral honeys.. AOAC Int. 83,1401-1409. 

R. M. Smith, O. Chienthavorn, I. D. Wilson, and B. Wright, Superheated deuterium oxide reversed-phase chromatography coupled to proton nuclear magnetic resonance spectroscopy, Anal. Commun. 35 (1998), 261-263. 

S. Saha, R. M. Smith, E. Lenz, and I. D. Wilson, Analysis of a ginger extract by high-performance liquid chromatography coupled to nuclear magnetic resonance spectroscopy using superheated deuterium oxide as the mobile phase, J. Chromatogr. A 991 (2003), 143-150. 

H. H. Mantsch, H. Sailo and 1. C. P. Smith, Deuterium magnetic resonance applications in chemistry, physics and biology, in "Progress in NMR Spectroscopy . J. Emsiey, J. Feeney and L. Sutcliffe (eds.), Pergamon Press, 1976. 

T nterest in the separation of isotopes started as a scientific curiosity. The question arose as to whether it was indeed at all feasible or possible to separate isotopes. After this question was answered in the affirmative (24), it became of interest to separate isotopes on a laboratory scale for use in scientific research. A few examples show the range of utility of separated isotopes. Deuterium has attained widespread use as a biochemical and chemical tracer. It is now abundantly available and is used as freely as any cheap chemical reagent. He has opened up an entirely new field of research in low temperature physics and has important applications in the production of temperatures below 1°K. with a thermal neutron cross section of 4,000 barns, has found wide use in nuclear particle detectors—neutron proportional counters. still finds use as a tracer, but in recent years its most frequent use has been in electron spin and nuclear magnetic resonance spectroscopy. occupies a unique position as the only usable tracer for nitrogen. finds application as a... 

Experiments in which specifically labeled deuteriotoluene was passed through the RF. discharge afforded additional experimental data which supported the importance of radical intermediates leading to condensable products. The materials formed from the labeled toluene were collected, separated by chromatographic techniques, and the distribution of the deuterium label determined by infrared and nuclear magnetic resonance spectroscopy and mass spectrometry. 

The assignment of these isomers was confirmed by nuclear magnetic resonance spectroscopy on a Perkin-Elmer 60 Mc./sec. NMR spectrometer, after removal of -OH by exchange with deuterium oxide. The spectrum of the cw-alcohol showed a single broad peak, while that of the trans-alcohol showed two peaks they thus resembled the spectra of the corresponding hydrocarbons (8). 

Nuclear magnetic resonance spectroscopy may provide a convenient measure of the formaldehyde or formic acid produced in some periodate oxidations, and may also permit differentiation between free formic acid and that bound as formic esters deuterium oxide is a convenient solvent for these determinations. Mechanical, automated techniques for determining the amounts of various oxidation products have been developed. ... 

Figure 4. Proton magnetic resonance spectroscopy of the anomeric proton region of peptidophosphomannan (10). Fifty mg of peptidophosphomannan was dissolved in H20 and held at room temperature for 1 hr. The solvent was removed under reduced pressure and the residue redissolved in 1 mL H20. The NMR spectrum was taken on a Varian XL-100 MHz spectrometer at 29°C with the instrument locked on deuterium and referenced to an internal standard of sodium 2,2-dimethyl-2-silapentane-5-sulfonate.

A detailed study using X-ray crystallography, H, C, and P NMR (nuclear magnetic resonance) spectroscopies, product studies, a secondary a-deuterium KIE (kinetic isotope effect) of 1.13, competition experiments, and a stereochemical study has shown that the nickel-catalysed Suzuki reaction of N,0 acetals with (PhBO)3, and a DPEPhos ligand occurs by the 6 1-like mechanism shown in Scheme 1. 

Quadrupole coupling constants for molecules are usually determined from the hyperfine structure of pure rotational spectra or from electric-beam and magnetic-beam resonance spectroscopies. Nuclear magnetic resonance, electron spin resonance and Mossbauer spectroscopies are also routes to the property. There is a large amount of experimental data for and halogen-substituted molecules. Less data is available for deuterium because the nuclear quadrupole is small. 

Other optical and spectroscopic techniques are also important, particularly with regard to segmental orientation. Some examples are fluorescence polarization, deuterium nuclear magnetic resonance (NMR), and polarized IR spectroscopy [4,246,251]. Also relevant here is some work indicating that microwave techniques can be used to image elastomeric materials, for example, with regard to internal damage [252,253]. 

Kamel AM, Zandi KS, Massefski WW. 2003. Identification of the degradation product of ezlopitant, a non-peptidic substance P antagonist receptor, by hydrogen deuterium exchange, electrospray ionization tandem mass spectrometry (ESI/MS/MM) and nuclear magnetic resonance (NMR) spectroscopy. J Pharm Biomed Anal 31 1211. 

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