近红外光谱法定量测定小麦粉中的石灰类添加物的研究  

Research on the Quantitative Determination of Lime in Wheat Flour by Near-Infrared Spectroscopy

作　　者：王冬[1,2,3] 马智宏[1] 潘立刚[1] 韩平[1] 赵柳[1] 王纪华 

机构地区：[1]北京农产品质量检测与农田环境监测技术研究中心,北京100097 [2]北京农业信息技术研究中心,北京100097 [3]中国农业大学食品科学与营养工程学院,北京100083

出　　处：《光谱学与光谱分析》2013年第1期69-73,共5页Spectroscopy and Spectral Analysis

基　　金：中国博士后科学基金项目(49th;20110490318);公益性行业(农业)科研专项经费项目(201203046)资助

摘　　要：小麦粉的质量安全一直备受社会各界关注。在比较生石灰、熟石灰和碳酸钙的近红外光谱特征的基础上,采集了掺入不同含量的生石灰、熟石灰和碳酸钙的小麦粉样品的近红外漫反射光谱。采用偏最小二乘算法结合交互验证算法建立了石灰和碳酸钙的近红外定量校正模型,采用外部检验集对各模型进行外部验证。结果表明,石灰、碳酸钙的模型测定系数(R2)分别为99.80%和96.98%;校正集均方根误差分别为0.19和0.34;交互验证集均方根误差分别为0.26和0.75;预测集均方根误差分别为0.63和0.44;相对预测性能RPD分别为8.57和5.24。模型具有较高的精度,可以满足小麦粉中石灰含量的现场快速检测要求。F检验结果表明,模型的校正集、外部检验集的预测值-化学值之间具有极显著的相关关系。本研究可为小麦粉快速质量安全筛查提供参考方法,对小麦粉质量监控具有重要意义。The safety of wheat flour is always focused by all quarters of society.Based on comparing the feature of NIR spectra of calcium oxide,calcium hydroxide and calcium carbonate in this research,the diffuse reflection NIR spectra of the wheat flour samples with different content of calcium oxide,calcium hydroxide and calcium carbonate mixed in were collected.The calibration models of lime and calcium carbonate were developed by partial least square algorithm,with the validation method of cross validation.The result indicated that the determination coefficients（R2） of lime and calcium carbonate are 99.80% and 96.98% respectively,the root mean square errors of calibration set are 0.19 and 0.34 respectively;the root mean square errors of cross validation set are 0.26 and 0.75 respectively;the root mean square errors of prediction set are 0.63 and 0.44 respectively;the ratio performance deviations（RPD） are 8.57 and 5.24 respectively,which indicated that the calibration models were precise enough to adapt to the on-site rapid determination of lime in wheat flour.The result of F-test indicated that a very remarkable correlation exists between the estimated and specified values of the calibration sets and the external validation sets.This research,to some extent,will provide some reference methods for the rapid determination of wheat flour for quality safety,which is important for the quality control of wheat flour.

关 键 词：近红外光谱 偏最小二乘 小麦粉 石灰 碳酸钙 

分 类 号：O657.3[理学—分析化学]