{"title":"结合ATR-MIR光谱与叠加机器学习检测花生油中棕榈油掺杂物","authors":"Kamini G. Panchbhai, Madhusudan G. Lanjewar","doi":"10.1007/s11694-025-03360-0","DOIUrl":null,"url":null,"abstract":"<div><p>Groundnut oil (GNO) is a rich source of crucial fatty acids for human physiological development. However, concerns have been raised regarding certain manufacturers who may adulterate GNO with less expensive alternatives such as palm olein (PO). The authors proposed a robust and effective method that integrates Attenuated Total Reflection Mid-Infrared (ATR-MIR) spectroscopy with pre-processing, Principal Component Analysis (PCA), and Machine Learning (ML) models utilizing a stacking approach for the prediction and quantification of PO adulteration in GNO. Unlike earlier research, which mainly relied on single regression or classification models without thorough validation, this study uses both regression and classification approaches inside a stacking architecture to improve prediction resilience. This study used a dataset with pure groundnut oil with varying concentrations of palm oil (0%, 6.25%, 25%, and 50%). The results indicated that the stacking regressor (STR) achieved a coefficient of determination (R<sup>2</sup>) of 0.999, with a Root Mean Square Error (RMSE) of 0.145 ml (v/v), Standard Error of Prediction (SEP) of 0.006 ml (v/v), and Ratio of performance to deviation (RPD) of 136.2. The stacking classifier (STC) also attained a perfect accuracy rate of 100.0%. These outcomes show spectral-based ML approaches’ effectiveness in food authentication, providing a non-destructive, quick, cost-effective, and adaptable solution for identifying adulteration in edible oils. 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引用次数: 0
摘要
花生油(GNO)是人体生理发育所需的重要脂肪酸的丰富来源。然而,人们担心某些制造商可能会在GNO中掺入较便宜的替代品,如棕榈油(PO)。作者提出了一种鲁棒且有效的方法,该方法将衰减全反射中红外(ATR-MIR)光谱与预处理、主成分分析(PCA)和机器学习(ML)模型结合起来,利用堆叠方法预测和量化GNO中PO掺假。与早期的研究不同,早期的研究主要依赖于单一的回归或分类模型,而没有经过彻底的验证,本研究在堆叠架构中使用回归和分类方法来提高预测弹性。本研究使用了纯花生油和不同浓度棕榈油(0%、6.25%、25%和50%)的数据集。结果表明,堆叠回归量(STR)的决定系数(R2)为0.999,均方根误差(RMSE)为0.145 ml (v/v),预测标准误差(SEP)为0.006 ml (v/v),性能与偏差比(RPD)为136.2。堆叠分类器(STC)也达到了100%的完美准确率。这些结果表明基于光谱的机器学习方法在食品认证中的有效性,为识别食用油中的掺假提供了一种非破坏性、快速、经济、适应性强的解决方案。此外,本研究利用中红外光谱数据开发了一种用于GNO掺假检测的混合框架。
Integrating ATR-MIR spectroscopy with stacking machine learning for detecting palm olein adulterants in groundnut oil
Groundnut oil (GNO) is a rich source of crucial fatty acids for human physiological development. However, concerns have been raised regarding certain manufacturers who may adulterate GNO with less expensive alternatives such as palm olein (PO). The authors proposed a robust and effective method that integrates Attenuated Total Reflection Mid-Infrared (ATR-MIR) spectroscopy with pre-processing, Principal Component Analysis (PCA), and Machine Learning (ML) models utilizing a stacking approach for the prediction and quantification of PO adulteration in GNO. Unlike earlier research, which mainly relied on single regression or classification models without thorough validation, this study uses both regression and classification approaches inside a stacking architecture to improve prediction resilience. This study used a dataset with pure groundnut oil with varying concentrations of palm oil (0%, 6.25%, 25%, and 50%). The results indicated that the stacking regressor (STR) achieved a coefficient of determination (R2) of 0.999, with a Root Mean Square Error (RMSE) of 0.145 ml (v/v), Standard Error of Prediction (SEP) of 0.006 ml (v/v), and Ratio of performance to deviation (RPD) of 136.2. The stacking classifier (STC) also attained a perfect accuracy rate of 100.0%. These outcomes show spectral-based ML approaches’ effectiveness in food authentication, providing a non-destructive, quick, cost-effective, and adaptable solution for identifying adulteration in edible oils. Furthermore, this study employs mid-infrared spectral data to develop a hybrid framework for GNO adulteration detection.
期刊介绍:
This interdisciplinary journal publishes new measurement results, characteristic properties, differentiating patterns, measurement methods and procedures for such purposes as food process innovation, product development, quality control, and safety assurance.
The journal encompasses all topics related to food property measurement and characterization, including all types of measured properties of food and food materials, features and patterns, measurement principles and techniques, development and evaluation of technologies, novel uses and applications, and industrial implementation of systems and procedures.