光谱学与光谱分析, 2020, 40 (5): 1565, 网络出版: 2020-12-10
利用光谱趋势参数快速判定小麦粉DON等级的研究
The Study on Quickly Determining DON Level in Wheat Flour by Trend Parameter of Spectra
脱氧雪腐镰刀菌烯醇 趋势参数 二次判别分析 小麦粉 Deoxynivalenol Trend parameters Quadratic discriminant analysis Wheat flour
摘要
脱氧雪腐镰刀菌烯醇(DON)是一种经常发生在谷物及其衍生产品中的霉菌毒素, 危害人类和家畜的生命健康。 开发快速、 准确、 经济、 无环境危害的检测方法是一个亟待解决的问题。 本研究定义了可见光-近红外(Vis-NIR)光谱的趋势参数TP(trend parameter), 利用TP确定与DON浓度最相关的特征波段。 文中校正集样本的光谱矩阵行按样本DON浓度逐渐增加的顺序排列, 矩阵每一列(每一个波段)都对应一个TP值, 所有样本在某波段下的吸光度在列方向上的递增趋势越强(即TP值越大), 则此波段下的吸光度与DON浓度的相关性就越强, 该波段便可以作为评估DON浓度的特征波段。 研究发现在666, 1 238和1 660 nm处TP出现局部最大值, 利用此三个特征波段下的光谱进行二次判别分析Quadratic Discriminant Analysis(QDA), 以此构建的TP-QDA模型可以将小麦粉按DON污染水平分成轻度(0
Abstract
Deoxynivalenol (DON) is a mycotoxin that often occurs in cereals and their derivatives. It is harmful to the life and health of human and livestock. It is urgent to develop a detection method, which can rapidly, accurately and economically detect DON without environmental hazard. This study defined a Trend Parameter (TP) of the visible-near-infrared (VIS-NIR) spectra. The TP was used to determine the characteristic bands which were most relevant to the DON concentration. In this paper, the rows of spectral matrix of the samples in calibration set were arranged in the order of gradual increase in DON concentration. Each column (each band) of the matrix corresponded to a TP value. Under a certain band, the stronger the increasing trend of the absorbances of all samples in the column direction is (ie, the larger the TP value), the stronger the correlation between the absorbance and the DON concentration in this band is, and this band can be used as a characteristic band for evaluating the DON concentration. The study found that the local maximum of TP appeared at 666, 1 238, and 1 660 nm. The quadratic discriminant analysis (QDA) was performed by the spectra of the three characteristic bands. The wheat flour can be divided into three grades: mild (0
吴威, 祖广鹏, 陈桂云, 徐剑宏, 陈坤杰. 利用光谱趋势参数快速判定小麦粉DON等级的研究[J]. 光谱学与光谱分析, 2020, 40(5): 1565. WU Wei, ZU Guang-peng, CHEN Gui-yun, XU Jian-hong, CHEN Kun-jie. The Study on Quickly Determining DON Level in Wheat Flour by Trend Parameter of Spectra[J]. Spectroscopy and Spectral Analysis, 2020, 40(5): 1565.