Compressed chromatographic fingerprint of Artemisiae argyi Folium empowered by 1D-CNN: Reduce mobile phase consumption using chemometric algorithm

IF 3.8 2区 化学 Q1 BIOCHEMICAL RESEARCH METHODS Journal of Chromatography A Pub Date : 2025-03-13 DOI:10.1016/j.chroma.2025.465874
Wennan Nie , Jiahe Qian , Cunhao Li , Shule Zhang , Wenlong Li
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引用次数: 0

Abstract

Introduction

High-Performance Liquid Chromatography (HPLC) is widely used for its high sensitivity, stability, and accuracy. Nonetheless, it often involves lengthy analysis times and considerable solvent consumption, especially when dealing with complex systems and quality control, posing challenges to green and eco-friendly analytical practices.

Objective

This study proposes a compressed fingerprint chromatogram analysis technique that combines a one-dimensional convolutional neural network (1D-CNN) with HPLC, aiming to improve the analytical efficiency of various compounds in complex systems while reducing the use of organic solvents.

Materials and Methods

The natural product Artemisiae argyi Folium (AAF) was selected as the experimental subject. Firstly, HPLC fingerprints of AAF were developed based on conventional programs. Next, a compressed fingerprint was obtained without losing compound information. Finally, a 1D-CNN deep learning model was used to analyze and identify the compressed chromatograms, enabling quantitative analysis of 10 compounds in complex systems.

Results

The results indicate that the 1D-CNN model can effectively extract features from complex data, reducing the analysis time for each sample by about 40 min. In addition, the consumption of mobile phase has significantly decreased by 78 % compared to before. Among the ten compounds to be analyzed, nine of them achieved good results, with the highest correlation coefficient reaching above 0.95, indicating that the model has strong explanatory power.

Conclusion

The proposed compressed fingerprint chromatograms recognition technique enhances the environmental sustainability and efficiency of traditional HPLC methods, offering valuable insights for future advancements in analytical methodologies and equipment development.
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来源期刊
Journal of Chromatography A
Journal of Chromatography A 化学-分析化学
CiteScore
7.90
自引率
14.60%
发文量
742
审稿时长
45 days
期刊介绍: The Journal of Chromatography A provides a forum for the publication of original research and critical reviews on all aspects of fundamental and applied separation science. The scope of the journal includes chromatography and related techniques, electromigration techniques (e.g. electrophoresis, electrochromatography), hyphenated and other multi-dimensional techniques, sample preparation, and detection methods such as mass spectrometry. Contributions consist mainly of research papers dealing with the theory of separation methods, instrumental developments and analytical and preparative applications of general interest.
期刊最新文献
Evaluation of hexamethyldisiloxane/ethyl isobutyrate/ethanol/water solvent system for liquid-liquid chromatography Compressed chromatographic fingerprint of Artemisiae argyi Folium empowered by 1D-CNN: Reduce mobile phase consumption using chemometric algorithm Editorial Board Corrigendum to "Evaluating orthogonality between ion-pair reversed phase, anion exchange, and hydrophilic interaction liquid chromatography for the separation of synthetic oligonucleotides" [Journal of Chromatography A 1705 (2023) 464184]. Corrigendum to "Magnetic molecular imprinted covalent organic framework composite for the magnetic solid-phase extraction of bisphenol AF" [Journal of Chromatography A 1717 (2024) 464693].
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