title: Overall uncertainty measurement for near infrared analysis of cryptotanshinone in tanshinone extract.
abstract: This study presented a new strategy of overall uncertainty measurement for near infrared (NIR) quantitative analysis of cryptotanshinone in tanshinone extract powders. The overall uncertainty of NIR analysis from validation data of precision, trueness and robustness study was fully investigated and discussed. Quality by design (QbD) elements, such as risk assessment and design of experiment (DOE) were utilized to organize the validation data. An "I×J×K" (series I, the number of repetitions J and level of concentrations K) full factorial design was used to calculate uncertainty from the precision and trueness data. And a 2(7-4) Plackett-Burmann matrix with four different influence factors resulted from the failure mode and effect analysis (FMEA) analysis was adapted for the robustness study. The overall uncertainty profile was introduced as a graphical decision making tool to evaluate the validity of NIR method over the predefined concentration range. In comparison with the T. Saffaj's method (Analyst, 2013, 138, 4677.) for overall uncertainty assessment, the proposed approach gave almost the same results, demonstrating that the proposed method was reasonable and valid. Moreover, the proposed method can help identify critical factors that influence the NIR prediction performance, which could be used for further optimization of the NIR analytical procedures in routine use.
authors.affiliation: Beijing University of Chinese Medicine, Beijing 100029, China; The Key Laboratory of TCM Information Engineering of State Administration of Traditional Chinese Medicine, Beijing 100029, China.
authors.forename: Zhong
authors.initials: Z
authors.lastname: Xue
authors.affiliation: Beijing University of Chinese Medicine, Beijing 100029, China; The Key Laboratory of TCM Information Engineering of State Administration of Traditional Chinese Medicine, Beijing 100029, China. Electronic address: xubing@bucm.edu.cn.
authors.forename: Bing
authors.initials: B
authors.lastname: Xu
authors.affiliation: Beijing University of Chinese Medicine, Beijing 100029, China; The Key Laboratory of TCM Information Engineering of State Administration of Traditional Chinese Medicine, Beijing 100029, China.
authors.forename: Xinyuan
authors.initials: X
authors.lastname: Shi
authors.affiliation: Beijing University of Chinese Medicine, Beijing 100029, China; The Key Laboratory of TCM Information Engineering of State Administration of Traditional Chinese Medicine, Beijing 100029, China.
authors.forename: Chan
authors.initials: C
authors.lastname: Yang
authors.affiliation: Beijing University of Chinese Medicine, Beijing 100029, China; The Key Laboratory of TCM Information Engineering of State Administration of Traditional Chinese Medicine, Beijing 100029, China.
authors.forename: Xianglong
authors.initials: X
authors.lastname: Cui
authors.affiliation: Beijing University of Chinese Medicine, Beijing 100029, China; The Key Laboratory of TCM Information Engineering of State Administration of Traditional Chinese Medicine, Beijing 100029, China.
authors.forename: Gan
authors.initials: G
authors.lastname: Luo
authors.affiliation: Beijing University of Chinese Medicine, Beijing 100029, China; The Key Laboratory of TCM Information Engineering of State Administration of Traditional Chinese Medicine, Beijing 100029, China. Electronic address: yjqiao@263.net.
authors.forename: Yanjiang
authors.initials: Y
authors.lastname: Qiao
mesh_terms: D045784:Abietanes / Q000032:analysis*; D000704:Analysis of Variance; D002138:Calibration; D002851:Chromatography, High Pressure Liquid; D010616:Phenanthrenes / Q000032:analysis*; D010936:Plant Extracts / Q000737:chemistry*; D015203:Reproducibility of Results; D019265:Spectroscopy, Near-Infrared; D035501:Uncertainty
chemical_list: D045784:Abietanes; D010616:Phenanthrenes; D010936:Plant Extracts; C021751:tanshinone; C037886:cryptotanshinone
keywords: Cryptotanshinone; Design of experiment; Near infrared; Overall uncertainty; Tanshinone extract powder; Uncertainty profile