基于近红外光谱技术快速测定口服液中多糖的研究

鲁亮; 李晶晶; 周昭露; 田淑华; 黄生权; 黄延盛

doi:10.13386/j.issn1002-0306.2017.18.047

基于近红外光谱技术快速测定口服液中多糖的研究

无限极(中国)有限公司
华南理工大学化学与化工学院
晶格码(青岛)智能科技有限公司

详细信息

作者简介:
鲁亮 (1987-) , 男, 硕士, 助理工程师, 研究方向:过程检测, E-mail:Liang.Lu@infinitus-int.com。;

黄延盛 (1979-) , 男, 硕士, 中级工程师, 研究方向:制药工程和过程检测, E-mail:Jason.huang@infinitus-int.com。;

中图分类号: O657.33;TS218
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出版历程
- 收稿日期: 2017-03-15

The rapid determination of polysaccharides in oral liquid based on near infrared reflectance spectroscopy technique

Infinitus (China) Ltd
School of Chemistry and Chemical Engineering, South China University of Technology
Pharmavision (Qingdao) Intelligent Technology Ltd

摘要

摘要: 本文建立了一种基于近红外光谱技术快速测定中药提取物中多糖的方法。通过采集102组中药提取物口服液样品的近红外光谱,结合多糖化学检测结果应用偏最小二乘法,通过考察不同光谱预处理方法,包括一阶导数移动窗口宽度、平滑处理移动窗口宽度、波段选择、变量选择方法对模型预测能力的影响,建立并优化得到近红外光谱技术快速测定口服液中多糖的最佳模型。此模型光谱预处理方法为一阶导数结合平滑,一阶导数移动窗口宽度为5,平滑处理移动窗口宽度为9,所选波段为5079.58⁵152.86、6159.52⁶232.80、6545.21⁶695.63、7470.88⁷544.16以及8705.09⁸778.38 cm^-1,共120个变量,模型的交叉验证均方根误差为15.4823,预测均方根误差为16.2807。研究结果表明,通过近红外光谱技术结合化学计量学方法建立口服液中多糖快速测定方法具有一定可行性。
- 近红外 /
- 光谱预处理 /
- 移动窗口 /
- 波段选择 /
- 变量选择
Abstract: Near infrared reflectance spectroscopy technique was employed to measure the polysaccharides of Chinese herb extracts rapidly.The experiment had measured the content of polysaccharides in the 102 groups of the oral liquid of Chinese herb extracts, adopts the partial least squares method combined with the polysaccharides chemical reference values, and establishes the optimal model of measuring the polysaccharides of the oral liquid by the near infrared reflectance spectroscopy technique, which was obtained by comparing method and derivative of different preprocessing and the size, waveband and variable selection way of the smooth window on the predictive ability of the above model: the pre-processing method of spectrum wasthe combination of the first derivative and smooth process, and their moving window widths were 5 and 9respectively.The chosen wavebands contained 5079.58 ~ 5152.86, 6159.52 ~ 6232.80, 6545.21 ~ 6695.63, 7470.88 ~ 7544.16 and8705.09 ⁸778.38 cm^-1 in the sum of 120 variables.The root-mean-square error of the model cross validation was 15.4823, and the root-mean-square error of the model prediction was 16.2807.The results showed that the method for rapidly measuring the polysaccharides in oral liquid based on the combination of the near infrared reflectance spectroscopy technique and chemometrics method was of certain feasibility.
- NIR /
- pretreatment /
- moving window /
- feature bands selection /
- variable selection

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