基于太赫兹光谱通过分析对齐主成分预测黄芩中黄芩苷的浓度。

Prediction of baicalin concentration within scutellaria based on terahertz spectroscopy by analyzing aligned principal component.

作者信息

Li Yizhang, Guo Yongbin, Wang Zhongmin, Dong Xiaodi, Cao Guiyun, Yang Xiuewei, Han Dongyue, Meng Zhaoqing, Qi Feng

机构信息

Key Laboratory of UWB and THz of Shandong Academy of Sciences, Institute of Automation, Qilu University of Technology (Shandong Academy of Sciences), Jinan, 250100, China.

Shandong Hongjitang Pharmaceutical Group Co. Ltd, Jinan, 250103, China.

出版信息

Anal Sci. 2025 May 13. doi: 10.1007/s44211-025-00786-w.

Abstract

Terahertz spectral analysis is made to study baicalin concentration within scutellaria by enlarging spectral feature. In detail, baicalin powder is added to scutellaria and the change in terahertz spectroscopy is intensified by multiplicative scattering correction and principal component analysis. It is found that multiplicative scattering correction contributes to aligning the first principal components, which allows the prediction of active ingredient ratio with increasing accuracy. The mechanism of feature change is verified from the perspective of spectrum overlapping of independent material. Moreover, by combining the assumption of linear superposition and the algorithm of principal component analysis, the error attached to experiment results is interpreted and attributed to difference between the claimed and actual material component. The study suggests that principal component analysis plays a role in analyzing superposition of independent terahertz spectrum, which is seldom noticed in practice.

摘要

通过扩大光谱特征,进行太赫兹光谱分析以研究黄芩中黄芩苷的浓度。具体而言,将黄芩苷粉末添加到黄芩中,并通过多元散射校正和主成分分析增强太赫兹光谱的变化。研究发现,多元散射校正有助于对齐第一主成分,从而提高活性成分比例预测的准确性。从独立物质光谱重叠的角度验证了特征变化的机制。此外,结合线性叠加假设和主成分分析算法,对实验结果的误差进行了解释,并将其归因于所宣称的物质成分与实际物质成分之间的差异。该研究表明,主成分分析在分析独立太赫兹光谱的叠加方面发挥了作用,而这一点在实际中很少被注意到。

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