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1.
J Magn Reson ; 188(2): 246-59, 2007 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-17707665

RESUMO

It is shown that the anisotropic NMR parameters for half-integer quadrupolar nuclei can be determined using double rotation (DOR) NMR at a single magnetic field with comparable accuracy to multi-field static and MAS experiments. The (17)O nuclei in isotopically enriched l-alanine and OPPh(3) are used as illustrations. The anisotropic NMR parameters are obtained from spectral simulation of the DOR spinning sideband intensities using a computer program written with the GAMMA spin-simulation libraries. Contributions due to the quadrupolar interaction, chemical shift anisotropy, dipolar coupling and J coupling are included in the simulations. In l-alanine the oxygen chemical shift span is 455 +/- 20 ppm and 350 +/- 20 ppm for the O1 and O2 sites, respectively, and the Euler angles are determined to an accuracy of +/- 5-10 degrees . For cases where effects due to heteronuclear J and dipolar coupling are observed, it is possible to determine the angle between the internuclear vector and the principal axis of the electric field gradient (EFG). Thus, the orientation of the major components of both the EFG and chemical shift tensors (i.e., V(33) and delta(33)) in the molecular frame may be obtained from the relative intensity of the split DOR peaks. For OPPh(3) the principal axis of the (17)O EFG is found to be close to the O-P bond, and the (17)O-(31)P one-bond J coupling ((1)J(OP)=161 +/- 2 Hz) is determined to a much higher accuracy than previously.


Assuntos
Alanina/química , Ressonância Magnética Nuclear Biomolecular/métodos , Anisotropia , Modelos Moleculares , Compostos Organofosforados/química , Isótopos de Oxigênio
2.
J Magn Reson ; 149(2): 264-7, 2001 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-11318627

RESUMO

The inverse cubic dependency of the acceleration of a rotor on its diameter allows for mechanical dynamics comparable to spin dynamics in coupled spin systems. Rotor acceleration up to 300 kHz/s was measured. This feature can be used to simplify existing experiments and explore entirely new ones in the study of spin topologies and material properties.

3.
Appl Radiat Isot ; 47(11-12): 1281-6, 1996.
Artigo em Inglês | MEDLINE | ID: mdl-9022185

RESUMO

Intercomparison of EPR-dosimetric techniques using tooth enamel had been performed in order to check whether the results produced by different laboratories are consistent and accurate. Participants were supposed to evaluate doses applied to pulverized enamel samples, using routine techniques from their laboratories. The intercomparison has demonstrated a great variety of methods used for dose reconstruction. Peculiarities of experimental approaches are discussed systematically in terms of procedure for recording the EPR-spectra, determination of the amplitude of the radiation induced signal, determination of the dose, and error propagation.


Assuntos
Esmalte Dentário/efeitos da radiação , Espectroscopia de Ressonância de Spin Eletrônica/métodos , Radiometria/métodos , Esmalte Dentário/química , Espectroscopia de Ressonância de Spin Eletrônica/estatística & dados numéricos , Estudos de Avaliação como Assunto , Radicais Livres/análise , Radicais Livres/efeitos da radiação , Humanos , Laboratórios , Tolerância a Radiação , Radiometria/estatística & dados numéricos
4.
Appl Radiat Isot ; 47(8): 785-8, 1996 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-8828160

RESUMO

Paramagnetic centres are present in human tooth enamel after irradiation with ultraviolet light. Their thermal stability and electron spin resonance spectrum coincide with those of the ion radicals created with gamma-rays are used in geological or archaeological dating and accident dosimetry. The long wavelength tail of their creation spectrum intersects with the short wavelength tail of the solar spectrum reaching Earth's surface, thus raising the question about the possible effect of solar irradiation on dating and dosimetry.


Assuntos
Esmalte Dentário/química , Esmalte Dentário/efeitos da radiação , Raios Ultravioleta , Dentina/química , Dentina/efeitos da radiação , Espectroscopia de Ressonância de Spin Eletrônica , Radicais Livres/análise , Humanos
5.
Phys Rev Lett ; 54(4): 285-288, 1985 Jan 28.
Artigo em Inglês | MEDLINE | ID: mdl-10031469
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