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60 MHz 1H NMR spectroscopy for the analysis of edible oils

机译:60 MHz 1H NMR光谱分析食用油

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摘要

We report the first results from a new 60 MHz 1H nuclear magnetic resonance (NMR) bench-top spectrometer, Pulsar, in a study simulating the adulteration of olive oil with hazelnut oil. There were qualitative differences between spectra from the two oil types. A single internal ratio of two isolated groups of peaks could detect hazelnut oil in olive oil at the level of ∼13%w/w, whereas a whole-spectrum chemometric approach brought the limit of detection down to 11.2%w/w for a set of independent test samples. The Pulsar’s performance was compared to that of Fourier transform infrared (FTIR) spectroscopy. The Pulsar delivered comparable sensitivity and improved specificity, making it a superior screening tool. We also mapped NMR onto FTIR spectra using a correlation-matrix approach. Interpretation of this heat-map combined with the established annotations of the NMR spectra suggested a hitherto undocumented feature in the IR spectrum at ∼1130 cm−1, attributable to a double-bond vibration.
机译:我们报告了一项新的60 MHz 1 H核磁共振(NMR)台式光谱仪Pulsar的第一项结果,该研究在模拟橄榄油与榛子油掺假的研究中。两种油的光谱之间存在质的差异。两组孤立的峰的单一内部比率可以在〜13%w / w的水平检测到橄榄油中的榛子油,而全光谱化学计量学方法将一套中的检测限降低到11.2%w / w独立测试样本。将脉冲星的性能与傅立叶变换红外(FTIR)光谱进行了比较。 Pulsar具有可比的敏感性和更高的特异性,使其成为一种出色的筛选工具。我们还使用相关矩阵方法将NMR映射到FTIR光谱上。对该热图的解释与已建立的NMR谱图注释相结合,表明在1130 cm -1 处IR谱图中迄今未记录的特征,归因于双键振动。

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