激光拉曼光谱结合偏最小二乘法快速测定植物油碘值
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董海胜(1982-),男,河北故城人,助理研究员,硕士,研 究方向为航天食品工程.

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国家自然科学基金青年基金(31101251)、航天医学基础与应用国家重点实验室(SMFA11A03)和中国载人航天工程预先研究项目(2010SY5409006)资助项目 (中国航天员科研训练中心,航天医学基础与应用国家重点实验室,北京 100094)


Fast quantitative determination of iodine value in vagetable oil by using laser Raman spectroscopy and PLS
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    摘要:

    为探讨应用激光拉曼(Raman)光谱结合偏最小二乘 法(PLS)建模无损、快速及无试剂测定植物油碘值 的可行性,实验以大豆油、橄榄油、花生油、芝麻油及其调和油为样品,采集了其拉曼光谱 , 采集波数范围为250cm-1~2400cm -1, 并对其信号进行了归属,考察了各种实验条件对拉曼光谱的 影响,并以传统韦氏法测定得到的碘值作为对比,结合化学计量学方法建立了植物油碘值拉 曼 光谱定量模型。实验结果表明,大豆油、橄榄油、花生油及其调和油的拉曼光谱峰形及位移 具有一定的相似性,芝麻油拉曼光谱有较强的荧光干扰,峰强度与其他植物油存在着明显的 差异。所建立的碘值校正模型的决定系数R2为97.49 ,交叉验证校正标准差(RMSECV)为 1.15;检验集预测标准差(RMSEP)为1.57, 决定系数R2为96.47。结果表明,应用拉曼光 谱技术结合化学计量学实现植物油碘值快速检测是可行的。

    Abstract:

    To establish a nondestructive and rapid analysis method of determining iodine va lue in vegetable oil with no reagent using laser Raman spectroscopy combined with partial least squar e (PLS),taking soybean oil,olive oil,peanut oil,sesame oil and their blend oil as samples, their Raman spectra are collected,with the range of 250-2400cm-1,and th eir signals are assigned.A variety of experimental conditions affecting Raman spectroscopy determination are investigated. Take the iodine value determined by traditional Wechsler as contrast,with combin ation of chemometric methods to establish a Raman spectroscopy quantitative model of iod ine value.The experimental results show that the Raman spectroscopy peak shapes and displaceme nts of soybean oil, olive oil,peanut oil and cooking oil have a certain similarity,while the Raman spectroscopy of sesame oil has a strong fluorescence interference,and there is obvious differen ce of the peak intensity with the other vegetable oil samples.The iodine value correction mode l is e stablished with the coefficient of determination R2=97.49,and the cross-validation calibration standard deviation (RMSECV ) of 1.15.The test set standard error of prediction (RMSEP) is 1.57,and the coefficient of determination R2is 96.47.The results show that the ap plication of Raman spectroscopy combined with chemometrics in the rapid detection of iodine value in vegetable oil is feasible.

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董海胜,臧鹏,李云鹏,陈斌.激光拉曼光谱结合偏最小二乘法快速测定植物油碘值[J].光电子激光,2013,(7):1370~1374

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  • 收稿日期:2012-11-27
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