Quality Evaluation of Sanguisorbae Radix via Python Aided Optimization Fingerprint Chromatography Combined with Quantitative Analysis of Multi-components by Single Marker

IF 1.2 4区化学 Q4 BIOCHEMICAL RESEARCH METHODS

Chromatographia Pub Date : 2023-10-26 DOI:10.1007/s10337-023-04284-x

Yuan Gao, Bin Qiao, Zarmina Gul, Mengfei Tian, Jiabo Cheng, Chunguo Xu, Chunjian Zhao, Chunying Li

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Abstract

A simple method was proposed to assess the quality of Sanguisorbae Radix based on Python-aided optimization fingerprint chromatography (FC) combined with quantitative analysis of multi-components by single marker (PA-FC/QAMS). The Python program quickly anticipated the mobile phase conditions for fingerprints, and the result yielded a chromatogram with good peak and resolution. The estimated chromatogram was similar to that obtained from the actual experiment. Furthermore, we used the mobile phase conditions predicted by Python to establish a fingerprint of 15 batches of Sanguisorbae Radix. and optimized it. Compared with the traditional trial-and-error method used to optimize the mobile phase conditions during the experiment, the efficient Python prediction method substantially reduced the number of experiments needed for optimum mobile phase conditions. In addition, exclusive mobile phase composition can be simulated according to different experimental instruments and chromatographic columns. Moreover, 15 batches of samples from different regions were classified by similarity analysis, cluster analysis, and factor analysis. This study shows that PA-FC/QAMS method can provide a simple and efficient approach for the quality evaluation of Sanguisorbae Radix.

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Python辅助优化指纹图谱结合单标记多组分定量分析评价地榆的质量

提出了一种基于Python辅助优化指纹图谱（FC）和单标记物定量分析（PA-FC/QAMS）相结合的地榆质量评价方法。Python程序很快预测了指纹的流动相条件，结果得到了具有良好峰值和分辨率的色谱图。估计的色谱图与实际实验中获得的色谱图相似。此外，我们利用Python预测的流动相条件建立了15批地榆的指纹图谱。与实验中用于优化流动相条件的传统试错方法相比，高效的Python预测方法大大减少了优化流动相状态所需的实验次数。此外，可以根据不同的实验仪器和色谱柱模拟专属的流动相组成。此外，通过相似性分析、聚类分析和因子分析对来自不同地区的15批样品进行了分类。本研究表明，PA-FC/QAMS方法可为地榆药材的质量评价提供一种简便有效的方法。

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来源期刊

Chromatographia 化学-分析化学

CiteScore

3.40

自引率

5.90%

发文量

103

审稿时长

2.2 months

期刊介绍： Separation sciences, in all their various forms such as chromatography, field-flow fractionation, and electrophoresis, provide some of the most powerful techniques in analytical chemistry and are applied within a number of important application areas, including archaeology, biotechnology, clinical, environmental, food, medical, petroleum, pharmaceutical, polymer and biopolymer research. Beyond serving analytical purposes, separation techniques are also used for preparative and process-scale applications. The scope and power of separation sciences is significantly extended by combination with spectroscopic detection methods (e.g., laser-based approaches, nuclear-magnetic resonance, Raman, chemiluminescence) and particularly, mass spectrometry, to create hyphenated techniques. In addition to exciting new developments in chromatography, such as ultra high-pressure systems, multidimensional separations, and high-temperature approaches, there have also been great advances in hybrid methods combining chromatography and electro-based separations, especially on the micro- and nanoscale. Integrated biological procedures (e.g., enzymatic, immunological, receptor-based assays) can also be part of the overall analytical process.