摘要
目的建立基于β-容度容忍区间(β-CTI)的血塞通注射液近红外(NIR)定量分析不确定度评估方法。方法采用"I×J×K"型析因实验设计法获取NIR分析校正和验证实验数据,通过PLS算法建立NIR定量模型,通过β-CTI估计NIR定量分析不确定度,并与常规β-期望容忍区间(β-ETI)进行比较。采用ln U=a+b ln Y模型对相对扩展不确定度(U)与相应质量浓度(Y)之间的关系进行拟合,设置不确定度可接受限(λ)=20%,并绘制不确定度决策曲线。结果在考察的7个质量浓度水平中,除1.485 mg/m L外,由β-ETI估计的不确定度均低于由β-CTI估计的不确定度。由β-ETI和β-CTI确定的临界可接受不确定度质量浓度分别为4.867、5.686 mg/m L。结论β-CTI可充分估计NIR定量不确定度,可用于NIR定量结果准确性和可靠性评价。
Objective To establish the uncertainty evaluation for the quantitative analysis on Xuesaitong Injection by near infrared （NIR） spectroscopy based on t-content tolerance interval （β-CTI）. Methods 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）. Results 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 lnYmodel. When the uncertainty acceptance limit （2） was set to 20% and the decision profile of uncertainty was plotted, the critical concentration for β-ETI and fl-CTI with the acceptable uncertainty could be read as 4.867 and 5.686 mg/mL, respectively. Conlusion 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.
出处
《中草药》
CAS
CSCD
北大核心
2015年第6期832-839,共8页
Chinese Traditional and Herbal Drugs
基金
国家自然科学基金资助项目(81403112)
北京市重点实验室建设项目(中药基础与新药研究实验室
2014)
关键词
近红外
定量不确定度
β-容度容忍区间
β-期望容忍区间
血塞通注射液
三七总皂苷
near infrared
quantitative uncertainty
t-content tolerance interval
β-expectation tolerance interval
Xuesaitong Injection
total saponins of Panax notoginseng
