AIMC Topic: Chromatography, High Pressure Liquid
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Optimization of polyphenols extraction by deep eutectic solvent from broccoli stem and characterization of their composition and antioxidative effects.
Scientific reports
May 8, 2025
Broccoli stem is known to possess abundant polyphenols. To efficiently extract polyphenols from broccoli stems, we herein describe an updated deep eutectic solvent extraction (DESE) method. Response surface modeling was utilized for optimization of t...
Fast and accurate discrimination analysis of Angelicae Pubescentis Radix using non-targeted analytical profiles images and two-dimensional convolution neural network.
Journal of chromatography. A
Apr 30, 2025
This study developed an effective approach for discriminating geographical origins of Duhuo samples using non-targeted UPLC chromatograms and UV-Vis spectrogram images combined with a two-dimensional convolution neural network (2D-CNN). For compariso...
Identification of potential markers of elevated anticandidal activity of propolis extracts.
Journal of ethnopharmacology
Apr 11, 2025
ETHNOPHARMACOLOGICAL RELEVANCE: For centuries, propolis has been one of the most important and popular antimicrobial (antibacterial and antifungal) agents used in traditional medicine worldwide, including Central and Eastern Europe. Despite centuries...
Comprehensive quality evaluation of crude material of Ligusticum chuanxiong Hort. through high performance liquid chromatography coupled with DenseNet-121 assisted hyperspectral imaging and anti-thrombotic zebrafish bioassay.
Journal of pharmaceutical and biomedical analysis
Apr 3, 2025
An innovative, integrated strategy was developed for rapid and comprehensive quality assessment of Ligusticum chuanxiong Hort., the key raw material for Guanxinning tablets. This approach simultaneously evaluates both chemical composition and biologi...
Prediction of Chromatographic Retention Time of a Small Molecule from SMILES Representation Using a Hybrid Transformer-LSTM Model.
Journal of chemical information and modeling
Mar 28, 2025
Accurate retention time (RT) prediction in liquid chromatography remains a significant consideration in molecular analysis. In this study, we explore the use of a transformer-based language model to predict RTs by treating simplified molecular input ...
Yi-qi-yang-yin decoction ameliorates diabetic retinopathy: New and comprehensive evidence from network pharmacology, machine learning, molecular docking and molecular biology experiment.
Journal of pharmaceutical and biomedical analysis
Mar 6, 2025
Yi-Qi-Yang-Yin Decoction (YQYY), a traditional Chinese medicine (TCM) formula, has been used to treat diabetic retinopathy (DR), yet its precise mechanisms of action remain poorly understood. In this study, two distinct diabetic models, namely sponta...
Rats
Diabetic Retinopathy
Signal Transduction
Machine Learning
Medicine, Chinese Traditional
Animals
Molecular Docking Simulation
Male
Diabetes Mellitus, Experimental
Diabetes Mellitus, Type 2
Rats, Sprague-Dawley
Chromatography, High Pressure Liquid
Mice
Mice, Inbred C57BL
Network Pharmacology
Drugs, Chinese Herbal
An quality evaluation method based on three-dimensional integration and machine learning: Advanced data processing.
Journal of chromatography. A
Feb 28, 2025
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
Feb 3, 2025
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 ...
Differentiation of Citri Reticulatae Pericarpium varieties via HPLC fingerprinting of polysaccharides combined with machine learning.
Food chemistry
Jan 27, 2025
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
Jan 17, 2025
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...
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