论文部分内容阅读
目的:以红茶为研究载体,应用近红外光谱技术建立食品、药品中塑化剂的快速检测方法。方法:测定了加入4种邻苯二甲酸酯类的红茶饮料的近红外光谱数据,经过光谱预处理,以偏最小二乘法(PLS)建立回归模型,用于饮料中塑化剂总量以及单一塑化剂含量的定量分析。结果:塑化剂总量,邻苯二甲酸甲酯,邻苯二甲酸乙酯,邻苯二甲酸丁酯,邻苯二甲酸辛酯定量模型的决定系数(R2)分别为0.992 3,0.989 5,0.992 7,0.984 2,0.987 9。预测模型的外部验证相关系数(r)依次为0.987 7,0.988 1,0.989 1,0.977 1,0.976 2。预测集标准偏差(RMSEP)依次为0.164 0,0.147 0,0.027 6,0.025 8,0.070 2。结论:近红外光谱技术对塑化剂的定量分析具有较高的准确度,可将其作为食品、药品中塑化剂含量的快速检测方法。
OBJECTIVE: To establish a rapid detection method for plasticizers in food and medicine by using near infrared spectroscopy. Methods: The near-infrared spectra of black tea beverage containing 4 kinds of phthalates were determined. After spectral pretreatment, regression model was established by partial least squares (PLS), which was used for the total amount of plasticizer in beverage and single Quantitative analysis of plasticizer content. Results: The determination coefficients (R2) of the total amount of plasticizer, the quantitative models of methyl phthalate, ethyl phthalate, butyl phthalate and octyl phthalate were 0.992 3 and 0.989 5, respectively , 0.992 7,0.984 2,0.987 9. The external validation correlation coefficients (r) of the prediction model are 0.987 7,0.988 1,0.989 1,0.977 1,0.976 2 in turn. The prediction standard deviation (RMSEP) was 0.164 0,0.147 0,0.027 6,0.025 8,0.070 2. Conclusion: Near infrared spectroscopy has a high accuracy for the quantitative analysis of plasticizers, which can be used as a rapid detection method of plasticizers in food and medicine.