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[基于集成智能高光谱成像和相干反斯托克斯拉曼散射的特征波段选择快速测定硫熏牛膝中二氧化硫含量]

[Integrated smart hyperspectral imaging and CARS-based characteristic band selection for rapid determination of SO_2 content in sulphur-fumigated Achyranthis Bidentatae Radix].

作者信息

Jiang En-Ci, Chen Lin, Yan Ji-Zhong, Tao Yi

机构信息

College of Pharmaceutical Science, Zhejiang University of Technology Hangzhou 310014, China.

出版信息

Zhongguo Zhong Yao Za Zhi. 2022 Apr;47(7):1864-1870. doi: 10.19540/j.cnki.cjcmm.20210707.302.

DOI:10.19540/j.cnki.cjcmm.20210707.302
PMID:35534256
Abstract

In order to realize the rapid and non-destructive detection of SO_2 content in sulphur-fumigated Achyranthis Bidentatae Radix, this paper first prepared the sulphur-fumigated Achyranthis Bidentatae Radix samples with the usage amount of sulphur being 0, 2.5%, and 5% of the mass of Achyranthis Bidentatae Radix pieces. The SO_2 content in different batches of sulphur-fumigated Achyranthis Bidentatae Radix was determined using the method in Chinese Pharmacopoeia, followed by the acquisition of their hyperspectral data within both visible-near infrared(435-1 042 nm) and short-wave infrared(898-1 751 nm) regions by hyperspectral imaging. Meanwhile, the first derivative, AUTO, multiplicative scatter correction, Savitzky-Golay(SG) smoothing, and standard normal variable transformation algorithms were used to pre-process the original hyperspectral data, which were then subjected to characteristic band extraction based on competitive adaptive reweighted sampling(CARS) and the partial least square regression analysis for building a quantitative model of SO_2 content in sulphur-fumigated Achyranthis Bidentatae Radix. It was found that the accuracy of the quantitative model built depending on the visible-near infrared spectra was high, with the determination coefficient of prediction set(R■) reaching 0.900 1. The established quantitative model has enabled the rapid and non-destructive detection of SO_2 content in sulphur-fumigated Achyranthis Bidentatae Radix, which can serve as an effective supplement to the method described in Chinese Pharmacopeia.

摘要

为实现对硫磺熏蒸牛膝中二氧化硫含量的快速无损检测,本文首先制备了硫磺用量分别为牛膝片质量的0%、2.5%和5%的硫磺熏蒸牛膝样品。采用《中国药典》中的方法测定不同批次硫磺熏蒸牛膝中的二氧化硫含量,然后通过高光谱成像获取其在可见-近红外(435-1042nm)和短波红外(898-1751nm)区域的高光谱数据。同时,采用一阶导数、自动、多元散射校正、Savitzky-Golay(SG)平滑和标准正态变量变换算法对原始高光谱数据进行预处理,然后基于竞争性自适应重加权采样(CARS)进行特征波段提取,并通过偏最小二乘回归分析建立硫磺熏蒸牛膝中二氧化硫含量的定量模型。结果表明,基于可见-近红外光谱建立的定量模型精度较高,预测集决定系数(R■)达到0.9001。所建立的定量模型能够实现对硫磺熏蒸牛膝中二氧化硫含量的快速无损检测,可作为《中国药典》方法的有效补充。

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