使用便携式近红外光谱仪确定牡蛎的地理来源和糖原含量:分类和回归方法的比较

IF 2.7 3区 化学 Q2 CHEMISTRY, ANALYTICAL Vibrational Spectroscopy Pub Date : 2024-01-01 DOI:10.1016/j.vibspec.2023.103641
Bingjian Guo , Ziwei Zou , Zheng Huang , Qianyi Wang , Jinghua Qin , Yue Guo , Min Dong , Jinbin Wei , Shihan Pan , Zhiheng Su
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引用次数: 0

摘要

牡蛎在世界各地广泛种植。然而,不同产地的牡蛎在化学成分、质量和价格方面存在很大差异。本研究采用便携式近红外光谱仪结合化学计量分析法来确定牡蛎的地理产地和糖原含量。预处理方法(乘法散射校正、一导数和二导数)用于预处理原始光谱。然后采用偏最小二乘判别分析(PLS-DA)、正交偏最小二乘判别分析(OPLS-DA)和支持向量机(SVM)建立定性模型。比较了偏最小二乘回归(PLSR)和支持向量机回归(SVMR)对糖原含量的预测。结果显示,PLS-DA、OPLS-DA 和 SVM 模型对牡蛎地理来源的分类准确率均为 100%。在定量分析方面,回归方程显示出较高的预测能力。在糖原含量预测方面,SVMR 模型优于 PLSR 模型,预测决定系数(R2P)为 0.9253,残差预测偏差(RPD)为 3.62。因此,所提出的方法适用于准确、环保地测定牡蛎的地理来源和糖原含量,是海产品溯源监督和定量分析的一种有吸引力的替代方法。
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Determining the geographical origin and glycogen content of oysters using portable near-infrared spectroscopy: Comparison of classification and regression approaches

Oysters are extensively cultivated worldwide. However, significant variations in chemical composition, quality, and price exist between oysters from different geographical origins. This study employed portable near-infrared spectroscopy in conjunction with chemometric analysis to determine the geographical origin and glycogen content of oysters. Pretreatment methods (multiplicative scattering correction, first derivative, and second derivative) were used to preprocess the raw spectra. Partial least squares discriminant analysis (PLS-DA), orthogonal partial least squares discriminant analysis (OPLS-DA), and support vector machine (SVM) were then adopted to establish the qualitative models. Partial least squares regression (PLSR) and support vector machine regression (SVMR) were compared for predicting the glycogen content. The results revealed that the PLS-DA, OPLS-DA, and SVM models classified the geographical origin of oysters with 100% accuracy. For quantitative analysis, the regression equations displayed high predictive ability. The SVMR model was superior to the PLSR model for glycogen content prediction, with a coefficient of determination of prediction (R2P) of 0.9253 and a residual prediction deviation (RPD) of 3.62. Therefore, the proposed approach is suitable for the accurate and environmentally friendly determination of the geographical origin and glycogen content of oysters, thus representing an attractive alternative method for the traceability supervision and quantitative analysis of seafood products.

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来源期刊
Vibrational Spectroscopy
Vibrational Spectroscopy 化学-分析化学
CiteScore
4.70
自引率
4.00%
发文量
103
审稿时长
52 days
期刊介绍: Vibrational Spectroscopy provides a vehicle for the publication of original research that focuses on vibrational spectroscopy. This covers infrared, near-infrared and Raman spectroscopies and publishes papers dealing with developments in applications, theory, techniques and instrumentation. The topics covered by the journal include: Sampling techniques, Vibrational spectroscopy coupled with separation techniques, Instrumentation (Fourier transform, conventional and laser based), Data manipulation, Spectra-structure correlation and group frequencies. The application areas covered include: Analytical chemistry, Bio-organic and bio-inorganic chemistry, Organic chemistry, Inorganic chemistry, Catalysis, Environmental science, Industrial chemistry, Materials science, Physical chemistry, Polymer science, Process control, Specialized problem solving.
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