Quantitative analysis on uncertainty evaluation using near infrared spectroscopy based on β-content tolerance interval
10.7501/j.issn.0253-2670.2015.06.009
- Author:
Bing XU
1
Author Information
1. Research Center of TCM Information Engineering, Beijing University of Chinese Medicine
- Publication Type:Journal Article
- Keywords:
Near infrared;
Quantitative uncertainty;
Total saponins of Panax notoginseng;
Xuesaitong Injection;
β-content tolerance interval;
β-expectation tolerance interval
- From:
Chinese Traditional and Herbal Drugs
2015;46(6):832-839
- CountryChina
- Language:Chinese
-
Abstract:
To establish the uncertainty evaluation for the quantitative analysis on Xuesaitong Injection by near infrared (NIR) spectroscopy based on β-content tolerance interval (β-CTI). The data of NIR calibration and validation sets were obtained by " I × J × K" full factorial experimental design. The NIR quantification model was established through the PLS algorithm. Based on the validation data, the β-CTI was introduced to estimate the quantitative analysys on uncertainty of NIR, which was compared with the regular β-expectation tolerance interval (β-ETI). Among the seven designed concentration levels, the uncertainty values estimated by the β-ETI are smaller than that estimated by the β-CTI, except for the concentration level of 1.485 mg/mL. Then, the relationship between the relative expanded uncertainty (U) and corresponding concentration (Y) was fitted by lnU= a + b lnY model. When the uncertainty acceptance limit (λ) was set to 20% and the decision profile of uncertainty was plotted, the critical concentration for β-ETI and β-CTI with the acceptable uncertainty could be read as 4.867 and 5.686 mg/mL, respectively. This study has proved that β-CTI can be used to adequately estimate the uncertainty of quantitative analysis by NIR, which provides a new potential tool for the assessment of the accuracy and reliability of NIR spectroscopy.
