6种化学计量学法同时分光光度测定5组分的比较研究及食品分析

优化了在表面活性剂存在下以肉桂基荧光酮同时测定铝、铜、锰、锌、钴的显色折衷条件；比较研究了偏最小二乘、岭回归、多元线性回归、多元逐步回归、目标因子分析和卡尔曼滤波法用于这一体系同时测定此５组分的优缺点，结果表明对于此类所含各组分吸收光谱重叠严重且吸光度加和性欠佳体系，上述６法中以偏最小二乘和岭回归法为最适宜；经用于九种人工合成液和四种食品分析，均获满意结果，分析两种茶叶结果也与ＩＣＰ－ＡＥＳ法一致

Comparison of Six Chemometrics Methods for the Simultaneous Spectrophotometric Determination of Five Components and Analysis of Foods

The necessary compromise conditions for the coloration of all of the aluminum, copper, manganese, zinc and cobalt ions using cinnamic fluorone(2,6,7-trihydroxy-9-styryl -fluorone-3) in the presence of surfactant for their simultaneous determination have been op-timized. And comparison of the six chemometrics methods(i. e. partial least-squares, ridge regression, multiple linear regression, multiple stepwise regression, target factor analysis, Kalman filtering) with above color systems for the simultaneous determination of the cited five cations have been carried out. Of the six chemometrics methods, partial least-squares and ridge regression methods are well suitable for the mixtures, in which the absorption spectra of the five colored complexes and surplus chromogenic agent overlap seriously one another and the additivity of their absorbances is poor. The two chemometrics methods have been satisfactorily applied to the analysis of nine synthetic mixtures and four types of food. The results of determining two kinds of Chinese tea samples agree with those obtained by ICP-AES.