Department of Physics and Control, Faculty of Food Science, Szent Istvan University, 1118 Budapest, Hungary.
Department of Quality Management, BioTech USA Ltd, 1033 Budapest, Hungary.
Molecules. 2020 May 28;25(11):2522. doi: 10.3390/molecules25112522.
Nitrogen-rich adulterants in protein powders present sensitivity challenges to conventional combustion methods of protein determination which can be overcome by near Infrared spectroscopy (NIRS). NIRS is a rapid analytical method with high sensitivity and non-invasive advantages. This study developed robust models using benchtop and handheld spectrometers to predict low concentrations of urea, glycine, taurine, and melamine in whey protein powder (WPP). Effectiveness of scanning samples through optical glass and polyethylene bags was also tested for the handheld NIRS. WPP was adulterated up to six concentration levels from 0.5% to 3% /. The two spectrometers were used to obtain three datasets of 819 diffuse reflectance spectra each that were pretreated before linear discriminant analysis (LDA) and regression (PLSR). Pretreatment was effective and revealed important absorption bands that could be correlated with the chemical properties of the mixtures. Benchtop NIR spectrometer showed the best results in LDA and PLSR but handheld NIR spectrometers showed comparatively good results. There were high prediction accuracies and low errors attesting to the robustness of the developed PLSR models using independent test set validation. Both the plastic bag and optical glass gave good results with accuracies depending on the adulterant of interest and can be used for field applications.
富含氮的掺杂物在蛋白粉中,对蛋白质常规燃烧法测定会产生灵敏度挑战,而近红外光谱法(NIRS)可以克服这些挑战。NIRS 是一种快速分析方法,具有高灵敏度和非侵入性优势。本研究使用台式和手持式光谱仪,开发了稳健的模型,用于预测乳清蛋白粉(WPP)中低浓度的尿素、甘氨酸、牛磺酸和三聚氰胺。还测试了手持式 NIRS 通过光学玻璃和聚乙烯袋扫描样品的效果。WPP 的掺杂物浓度高达 0.5%至 3%,共六个水平。两台光谱仪用于获取三个数据集,每个数据集均包含 819 个漫反射光谱,在进行线性判别分析(LDA)和回归(PLSR)之前对其进行预处理。预处理是有效的,揭示了与混合物化学性质相关的重要吸收带。台式 NIR 光谱仪在 LDA 和 PLSR 中显示出最佳结果,而手持式 NIR 光谱仪则显示出相对较好的结果。独立测试集验证证明,开发的 PLSR 模型具有很高的预测精度和很低的误差,证明其稳健性。塑料袋和光学玻璃都取得了良好的结果,具体取决于感兴趣的掺杂物,可用于现场应用。