Machine learning-assisted FT-IR spectroscopy for identification of pork oil adulteration in tuna fish oil

IF 2.7 3区 化学 Q2 CHEMISTRY, ANALYTICAL Vibrational Spectroscopy Pub Date : 2024-06-27 DOI:10.1016/j.vibspec.2024.103715
Anjar Windarsih, Tri Hadi Jatmiko, Ayu Septi Anggraeni, Laila Rahmawati
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Abstract

Tuna fish oil (TO) is a valuable source of omega fatty acids and polyunsaturated fatty acids required for human growth and development. Triggered by economic reasons, TO can potentially be adulterated with pork oil (PO), which has a lower price. The adulteration is a serious problem because PO is a non-halal oil, which is truly prohibited to be consumed, especially for Muslim. This research aimed to develop an effective and efficient analytical technique for detecting PO adulteration in TO using Fourier transform infrared (FT-IR) spectroscopy aided by machine learning techniques. Various machine learning techniques were developed, including linear regression, support vector machine (SVM), k-nearest neighbor (kNN), artificial neural network (ANN), and gradient boosting. The result showed that SVM at the fingerprint region (1400–900 cm−1) demonstrated the best model to detect and predict PO in TO with the highest R2 (0.993) and the lowest root mean square error (RMSE) of 2.719 %. All levels of PO contained in TO could be accurately predicted, as indicated by the closeness between the actual value and predicted value of PO levels predicted by the model. In conclusion, machine learning could be a promising tool for detecting adulterants in fish oil samples. Further research on method standardization is important to propose the method as the method of choice for fish oil authentication, including halal authentication.

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机器学习辅助傅立叶变换红外光谱鉴定金枪鱼油中的猪油掺假情况
金枪鱼油(TO)是人体生长发育所需的欧米伽脂肪酸和多不饱和脂肪酸的重要来源。由于经济原因,金枪鱼油有可能掺入价格较低的猪肉油(PO)。掺假是一个严重的问题,因为猪油是一种非清真油,确实禁止食用,尤其是穆斯林。本研究旨在利用傅立叶变换红外光谱(FT-IR)技术,并在机器学习技术的辅助下,开发出一种有效且高效的分析技术,用于检测 TO 中的猪油掺假情况。研究开发了多种机器学习技术,包括线性回归、支持向量机(SVM)、k-近邻(kNN)、人工神经网络(ANN)和梯度提升。结果表明,指纹区域(1400-900 cm-1)的 SVM 是检测和预测 TO 中 PO 的最佳模型,R2(0.993)最高,均方根误差(RMSE)最低,为 2.719 %。该模型预测的 PO 水平的实际值与预测值非常接近,这表明 TO 中所含 PO 的所有水平都能准确预测。总之,机器学习是检测鱼油样品中掺假物质的一种有前途的工具。要将该方法作为鱼油鉴定(包括清真鉴定)的首选方法,就必须进一步开展方法标准化研究。
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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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