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The 1H T1 dispersion curve of fentanyl citrate to identify NQR parameters.
Malone, Michael W; Espy, Michelle A; He, Sun; Janicke, Michael T; Williams, Robert F.
Afiliação
  • Malone MW; Los Alamos National Laboratory, Los Alamos, NM, USA. Electronic address: mwmalone@lanl.gov.
  • Espy MA; Los Alamos National Laboratory, Los Alamos, NM, USA.
  • He S; Washington University in St Louis, St Louis, MO, USA.
  • Janicke MT; Los Alamos National Laboratory, Los Alamos, NM, USA.
  • Williams RF; Los Alamos National Laboratory, Los Alamos, NM, USA.
Solid State Nucl Magn Reson ; 110: 101697, 2020 12.
Article em En | MEDLINE | ID: mdl-33075622
We report the 1H T1 dispersion curve between 0 and 5 â€‹MHz for the synthetic opioid fentanyl citrate (C28H36N2O8). The structures in the curve can be used to estimate the 14N nuclear quadrupole resonance (NQR) frequencies of the material. Density functional theory predictions of the NQR parameters of several fentanyl citrate compounds are also reported. The predictions for the aniline nitrogen are consistent with structures in the observed T1 data. To help interpret the fentanyl citrate results the T1 dispersion curve for the explosive ammonium nitrate is also presented.
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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2020 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2020 Tipo de documento: Article