筋骨痛消丸中醇浸出物的近红外光谱法快速测定  

Near-infrared spectroscopy for rapid detection of alcohol extract of Jingutongxiao pill

作　　者：雷敬卫[1] 张强[1] 白雁[1] 李磊[1] 樊明月[1] 

机构地区：[1]河南中医学院,河南450046

出　　处：《北京中医药大学学报》2014年第11期786-788,792,F0003,共5页Journal of Beijing University of Traditional Chinese Medicine

基　　金：河南省重点科技攻关计划资助项目(No.122102310095);河南中医学院博士科研启动基金项目资助(No.BSJJ2011-03);河南省高等学校青年骨干教师资助项目(No.2012GGJS-093)

摘　　要：目的 运用近红外光谱技术和化学计量学方法,对筋骨痛消丸中醇浸出物的含量进行快速测定.方法 测定100份筋骨痛消丸醇浸出物的含量,采集所有样品的近红外光谱.采用光谱处理方法为偏最小二乘法（PLS）＋二阶导数（SD）,用TQ 8.0软件结合PLS建立醇浸出物的近红外光谱（NIR）定量模型.结果 建模范围为8 116.04～11 983.82 cm-1,主因子数为7,校正集内部交叉验证决定系数（R2）为0.99 778,校正集均方根偏差（RMSEC）为0.0 376,交叉验证集均方根偏差（RMSEP）为0.547,预测集平均相对误差为2.39％.结论 利用近红外光谱技术建立的模型对筋骨痛消丸中醇浸出物的含量测定是可行的,该方法快速、简便、结果准确.Objective To determine rapidly the concentration of alcohol extract of Jingutongxiao pill by using near-infrared （NIR） spectroscopy and chemometrics methods. Methods The contents of alcohol extract of 100 batches of Jingutongxiao pill were determined and NIR spectrograms were collected. Partial least squares （PLS） combined with second derivative （SD） was used as spectral processing options. The NIR calibration model of alcohol extracts was established by TQ 8.0 software combined with PLS. Results There were 7 main factors in the quantitative model, whose range was between 8 116.04 and 11 983.82 cm- 1. The correlation coefficient of calibration （R2 ） was 0.99 778, root mean square error of cross validation （RMSEC） was 0. 0376, and external prediction deviation （RMSEP） was 0. 547. Predicted average relative error was 2.39%. Conclusion The quantitative model established by using near-infrared spectroscopy for determination of alcohol extract of Jingutongxiao pills is rapid, simple and accurate.

关 键 词：筋骨痛消丸 醇浸出物 近红外光谱技术 定量模型 

分 类 号：R284.1[医药卫生—中药学]