基于近红外光谱法的哈萨克斯坦亚麻籽油品质指标定量预测模型的建立

Establishment of a Quantitative Prediction Model for Quality Indices of Flaxseed Oil in Kazakhstan Based on Near-infrared Spectroscopy

为了建立一种快速、准确、高效的针对哈萨克斯坦亚麻籽油酸价、过氧化值及脂肪酸成分的检测方法,用科学的手段表征其质量安全和品质特征,该研究在实验中选取代表性样品116份,分别利用碘量法、热乙醇法、气相色谱串联质谱仪对亚麻籽油样品中过氧化值、酸价、棕榈酸、硬脂酸、油酸、亚油酸、亚麻酸含量予以检测,同时利用近红外成分分析仪建立其特征图谱,根据偏最小二乘法依次对经过不同预处理后的特征光谱加以拟合,经回归数据分析,形成亚麻籽油酸价、过氧化值、棕榈酸、硬脂酸、油酸、亚油酸、亚麻酸的近红外定量预测模型。对模型进行验证和预测精度的评价后,确定:各指标相关系数(R)为0.9601~0.9857,绝对偏差为0.03914~1.2467,均方根误差(RMSEP)为0.05921~1.4302,表明模型具有良好的预测效果,可以有效预测哈萨克斯坦亚麻籽油的品质指标。该模型的建立为哈萨克斯坦亚麻籽油酸价、过氧化值及多种脂肪酸成分同时测定提供了快速检测途径,大大缩短了通关流程时限。

In order to establish a rapid,accurate,and efficient method for the determination of acid value,peroxide value and fatty acid composition of flaxseed Oil in Kazakhstan,and characterize flaxseed oil’s quality,safety and characteristics using scientific means,116 representative samples were selected in this study.The content of peroxide value,acid value,and the contents of palmitic acid,stearic acid,oleic acid,linoleic acid and linolenic acid of the flaxseed oil samples were determined by iodometry,the hot ethanol metho and GC-MS,while the characteristic spectra were established by using a near-infrared component analyzer.The characteristic spectra after different pretreatments were fitted according to the partial least squares.After the regression analysis,the near-infrared quantitative prediction models for the acid value,peroxide value,and the contents of palmitic acid,stearic acid,oleic acid,linoleic acid and linolenic acid of the flaxseed oil were established.After the model was verified and the prediction accuracy was evaluated,it was concluded that the correlation coefficient(R)was 0.9601~0.9857,the absolute deviation was 0.03914~1.2467,and the root mean square error(RMSEP)was 0.05921~1.4302,indicating that the model has a good prediction effect and can effectively predict the quality indices of flaxseed oil in Kazakhstan.The establishment of this model provides a fast approach for simultaneous determination of the acid value,peroxide value and multiple fatty acid components of the Kazakhstan linseed oil,which greatly shortens the time duration of the customs clearance.