Dipartimento di Ingegneria Civile, Ambientale, del Territorio, Edile e di Chimica (DICATECh), Politecnico di Bari, Via Orabona 4, I-70125, Bari, Italy.
Dipartimento di Ingegneria Civile, Ambientale, del Territorio, Edile e di Chimica (DICATECh), Politecnico di Bari, Via Orabona 4, I-70125, Bari, Italy; Innovative Solutions S.r.l, Spin Off del Politecnico di Bari, Zona H 150/B, I-70015, Noci (BA), Italy.
Talanta. 2020 Jul 1;214:120855. doi: 10.1016/j.talanta.2020.120855. Epub 2020 Feb 18.
Nuclear Magnetic Resonance (NMR) is an analytical technique extensively used in almost every chemical laboratory for structural identification. This technique provides statistically equivalent signals in spite of using spectrometer with different hardware features and is successfully used for the traceability and quantification of analytes in food samples. Nevertheless, to date only a few internationally agreed guidelines have been reported on the use of NMR for quantitative analysis. The main goal of the present study is to provide a methodological pipeline to assess the reproducibility of NMR data produced for a given matrix by spectrometers from different manufacturers, with different magnetic field strengths, age and hardware configurations. The results have been analyzed through a sequence of chemometric tests to generate a community-built calibration system which was used to verify the performance of the spectrometers and the reproducibility of the predicted sample concentrations.
核磁共振（NMR）是一种分析技术，几乎在每个化学实验室中都广泛用于结构鉴定。该技术提供了具有统计等效信号的光谱，尽管使用了具有不同硬件特性的光谱仪，并且成功地用于食品样品中分析物的可追踪性和定量。然而，迄今为止，仅报道了少数关于使用 NMR 进行定量分析的国际商定准则。本研究的主要目的是提供一种方法学管道，以评估由不同制造商、不同磁场强度、不同年龄和不同硬件配置的光谱仪对给定基质产生的 NMR 数据的重现性。通过一系列化学计量学测试对结果进行分析，生成一个社区构建的校准系统，用于验证光谱仪的性能和预测样品浓度的重现性。
