Qi Luming, Zhong Furong, Chen Yang, Mao Shengnan, Yan Zhuyun, Ma Yuntong
State Key Laboratory of Characteristic Chinese Medicine Resources in Southwest China, Chengdu University of Traditional Chinese Medicine, Chengdu, 611137, China.
School of Pharmacy, Chengdu University of Traditional Chinese Medicine, Chengdu, 611137, China.
J Pharm Anal. 2020 Aug;10(4):356-364. doi: 10.1016/j.jpha.2019.12.004. Epub 2019 Dec 12.
Emblic medicine is a popular natural source in the world due to its outstanding healthcare and therapeutic functions. Our preliminary results indicated that the quality of emblic medicines might have an apparent regional variation. A rapid and effective geographical traceability system has not been designed yet. To trace the geographical origins so that their quality can be controlled, an integrated spectroscopic strategy including spectral pretreatment, outlier diagnosis, feature selection, data fusion, and machine learning algorithm was proposed. A featured data matrix (245 × 220) was successfully generated, and a carefully adjusted RF machine learning algorithm was utilized to develop the geographical traceability model. The results demonstrate that the proposed strategy is effective and can be generalized. Sensitivity (SEN), specificity (SPE) and accuracy (ACC) of 97.65%, 99.85% and 97.63% for the calibrated set, as well as 100.00% predictive efficiency, were obtained using this spectroscopic analysis strategy. Our study has created an integrated analysis process for multiple spectral data, which can achieve a rapid, nondestructive and green quality detection for emblic medicines originating from seventeen geographical origins.
余甘子药材因其卓越的保健和治疗功能而成为全球流行的天然资源。我们的初步结果表明,余甘子药材的质量可能存在明显的地域差异。目前尚未设计出快速有效的地理溯源系统。为了追踪其地理来源以便控制其质量,提出了一种包括光谱预处理、异常值诊断、特征选择、数据融合和机器学习算法的综合光谱策略。成功生成了一个特征数据矩阵(245×220),并利用精心调整的随机森林(RF)机器学习算法建立了地理溯源模型。结果表明,所提出的策略是有效的且可推广的。使用这种光谱分析策略,校准集的灵敏度(SEN)、特异性(SPE)和准确率(ACC)分别为97.65%、99.85%和97.63%,预测效率为100.00%。我们的研究创建了一个针对多光谱数据的综合分析流程,可对来自17个地理来源的余甘子药材实现快速、无损和绿色的质量检测。