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Chromatography, High Pressure Liquid

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Promoting LC-QToF based non-targeted fingerprinting and biomarker selection with machine learning for the discrimination of black tea geographical origin.

Food chemistry
Traceability and mislabelling of black tea for their geographical origin is known as a major fraud concern of the sector. Discrimination among various geographical indications (GIs) can be challenging due to the complexity of chemical fingerprints in...

Multi-Omics Integration With Machine Learning Identified Early Diabetic Retinopathy, Diabetic Macula Edema and Anti-VEGF Treatment Response.

Translational vision science & technology
PURPOSE: Identify optimal metabolic features and pathways across diabetic retinopathy (DR) stages, develop risk models to differentiate diabetic macular edema (DME), and predict anti-vascular endothelial growth factor (anti-VEGF) therapy response.

An AI-driven strategy for active compounds discovery and non-destructive quality control in traditional Chinese medicine: A case of Xuefu Zhuyu Oral Liquid.

Talanta
The modernization and globalization of traditional Chinese medicine (TCM) face challenges such as unclear active compounds and inadequate quality control. Taking Xuefu Zhuyu Oral Liquid (XZOL) as an example, this study proposed an artificial intellig...

Differentiation of Citri Reticulatae Pericarpium varieties via HPLC fingerprinting of polysaccharides combined with machine learning.

Food chemistry
To accurately and reliably distinguish different varieties of Citri Reticulatae Pericarpium (CRP), we propose a novel classification strategy combining polysaccharide fingerprinting and machine learning (ML). First, extraction conditions are optimize...

The application of design of experiments and artificial neural networks in the evaluation of the impact of acidic conditions on cloud point extraction.

Journal of chromatography. A
This study aimed to analyze the impact of acidic conditions on the recovery of ciprofloxacin and levofloxacin for cloud point extraction with the Design of Experiments and Artificial Neural Networks. The design included 27 experiments featuring three...

Fingerprinting of Boletus bainiugan: FT-NIR spectroscopy combined with machine learning a new workflow for storage period identification.

Food microbiology
Food authenticity and food safety issues have threatened the prosperity of the entire community. The phenomenon of selling porcini mushrooms as old mixed with new jeopardizes consumer safety. Herein, nucleoside contents and spectra of 831 Boletus bai...

An quality evaluation method based on three-dimensional integration and machine learning: Advanced data processing.

Journal of chromatography. A
This study presents an innovative approach for the quality evaluation of traditional Chinese medicine (TCM) by integrating three-dimensional (3D) data processing with machine learning, aimed at enhancing the efficiency and accuracy of HPLC-DAD data a...

Convolutional Neural Networks Assisted Peak Classification in Targeted LC-HRMS/MS for Equine Doping Control Screening Analyses.

Analytical chemistry
Doping control screening analyses usually involve visual inspection of extracted ion chromatograms (EIC) by a trained analytical chemist, followed by further investigations if needed. This task is both highly repetitive and time-consuming, given the ...

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

Journal of chromatography. A
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 com...