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摘要
Multivariate detection limits (MDLs) of different types of near-infrared instruments were investigated to guide the selection of device type for TCM NIR analysis. In this paper, near-infrared spectroscopy of Qingkailing injection was performed in transmission mode on four near-infrared spectrometers named a, b, c and d, respectively. High performance liquid chromatography (HPLC) was used as the reference method to determine the content of baicalin in Qingkailing injection. Partial least squares (PLS) and interval partial least squares ( iPLS) quantitative models of baicalin in Qingkailing injection were established and MDLs of quantitative models based on different types of instruments were calculated. The determination coefficient of prediction (R-pre(2)) and the root mean square errors of prediction (SEP) of PLS models of four different near-infrared spectrometers are 0.9762 and 230.4 mu g . mL(-1)(a), 0.9561 and 246.4 mu g . mL(-1)(b), 0.9662 and 264.4 mu g . mL(-1)(c), 0.9985 and 71.5 mu g . (d). And the model of instrument d shows a better prediction performance than the other three types. There are no remarkable superiorities in predictability in iPLS models of instruments a and b after variable selection, since the R-pre(2) and SEP values for instruments a and b are 0.9771 and 218.4 mu g . mL(-1), and 0. 975 4 and 219. 4 mu g . mL(-1), respectively. Models c and d show no results of variable selection. MDLs (Delta(0.05, 0.05)) of different instruments are all less than 250 mu g . mL(-1), and the MDLs of instruments c and d reach to 58 and 2. 9 mu g . mL(-1) respectively. The results reveal that the predictability of models and corresponding MDLs are different for different detection equipments. This paper innovatively used the theory of MDL to investigate
- 出版日期2013-9
- 单位北京中医药大学
