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Quantitative determination of phosphorus in seafood using laser-induced breakdown spectroscopy combined with machine learning
Spectrochimica Acta Part B: Atomic Spectroscopy ( IF 3.3 ) Pub Date : 2021-01-01 , DOI: 10.1016/j.sab.2020.106027
Ye Tian , Qian Chen , Yuqing Lin , Yuan Lu , Ying Li , Hong Lin

Abstract Quantitative determination of phosphates or total phosphorus in seafood is of great importance for the fraud detection as well as food security issues. In this work, laser-induced breakdown spectroscopy (LIBS) was applied as a rapid method for phosphorus determination in three types of seafood including codfish, scallop and shrimp. Both univariate and multivariate regression models were established with special attentions on the correction of matrix effect to improve the analytical performances of LIBS. The obtained results showed that compared with the traditional univariate model and the linear PLS model, the non-linear SVM model could provide the best figures-of-merit with R2 of 0.9904, RMSEC, RMSEP and ARE of 1.68 g/kg, 1.42 g/kg and 3.70%, respectively. The average RSD of prediction of SVM is 5.18%, which is much lower than the value of PLS (9.40%) and is comparable to the value of univariate model (4.11%). This indicates that SVM may be more suitable to address the non-linear behaviors in LIBS spectra caused by the matrix effect, and therefore leads to a more robust calibration model. The present results demonstrated the capacity of LIBS combined with machine learning in phosphorus determination of seafood products, which could be potentially used for on-site phosphates detection within the food supply chains.

中文翻译:

激光诱导击穿光谱结合机器学习定量测定海产品中的磷

摘要 海产品中磷酸盐或总磷的定量测定对于欺诈检测和食品安全问题具有重要意义。在这项工作中,激光诱导击穿光谱 (LIBS) 被用作快速测定鳕鱼、扇贝和虾等三种海鲜中磷的方法。建立单变量和多变量回归模型,特别关注矩阵效应的校正,以提高LIBS的分析性能。得到的结果表明,与传统的单变量模型和线性PLS模型相比,非线性SVM模型可以提供最好的品质因数,R2为0.9904,RMSEC、RMSEP和ARE分别为1.68 g/kg、1.42 g /kg 和 3.70%,分别。SVM 预测的平均 RSD 为 5.18%,远低于PLS的值(9.40%),与单变量模型的值(4.11%)相当。这表明 SVM 可能更适合解决由矩阵效应引起的 LIBS 光谱中的非线性行为,从而导致更稳健的校准模型。目前的结果证明了 LIBS 结合机器学习在海鲜产品磷测定中的能力,可用于食品供应链中的现场磷酸盐检测。
更新日期:2021-01-01
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