同时定性定量测定混合物的光谱多元分析法

本文采用逐步回归方法,并结合光谱多组分分析的品质因数理论,对已知可能存在物种的范围,而实际的物种及其含量需待分析确定的混合物体系,可进行光谱数据解析,同时解决定性定量测定问题。与目标转换因子分析方法不同,本法毋需获取组分浓渡不尽相同的一组混合物光谱,仅用一个试样的光谱矢量数据即能同时完成定性定量分析,用药物试样对本法进行校验,获得满意结果。

SIMULTANEOUS QUALITATIVE AND QUANTITATIVE ANALYSIS OF MIXTURES BY MULTIVARIATE SPECTROPHOTOMETRY

By the use of stepwise regression method in conjunction with the theory of figures of merit for the multicomponent spcetrophotometry, mixtures with known scope of possiblcly present species can bc simultaneously analyzed qualitatively and quantitatively. There is no need for the analysis to acquire the spectral data metrix from a series of mixture samples with varied concentration as for the case of target transformation factor analysis. Analytical results can be obtained from the spectral data vector of just one assayed sample. The method has been testified by analyzing synthetic mixtures and pharmaceutical preparations with satisfactory results.