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The 1H T1 dispersion curve of fentanyl citrate to identify NQR parameters
Solid State Nuclear Magnetic Resonance ( IF 1.8 ) Pub Date : 2020-10-10 , DOI: 10.1016/j.ssnmr.2020.101697 Michael W. Malone , Michelle A. Espy , Sun He , Michael T. Janicke , Robert F. Williams
中文翻译:
在1 ^ h 柠檬酸芬太尼的弥散曲线以识别NQR参数
更新日期:2020-10-17
Solid State Nuclear Magnetic Resonance ( IF 1.8 ) Pub Date : 2020-10-10 , DOI: 10.1016/j.ssnmr.2020.101697 Michael W. Malone , Michelle A. Espy , Sun He , Michael T. Janicke , Robert F. Williams
We report the 1H dispersion curve between 0 and 5 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 data. To help interpret the fentanyl citrate results the dispersion curve for the explosive ammonium nitrate is also presented.
中文翻译:
在1 ^ h 柠檬酸芬太尼的弥散曲线以识别NQR参数
我们报告1 H合成阿片类柠檬酸芬太尼(C 28 H 36 N 2 O 8)在0至5 MHz之间的色散曲线。曲线中的结构可用于估计材料的14 N核四极共振(NQR)频率。还报道了几种柠檬酸芬太尼化合物的NQR参数的密度泛函理论预测。苯胺氮的预测与观察到的结构一致数据。为了帮助解释柠檬酸芬太尼的结果, 还给出了爆炸性硝酸铵的分散曲线。