AIMC Topic: Chromatography, High Pressure Liquid

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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 ...

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...

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...

A Machine Learning-Based Approach for the Prediction of Anticoagulant Activity of Hypericum perforatum L. and Evaluation of Compound Activity.

Phytochemical analysis : PCA
INTRODUCTION: Hypericum perforatum L. (HPL) is extensively researched domestically and internationally as a medicinal plant. However, no reports of studies related to the anticoagulant activity of HPL have been retrieved. The specific bioactive compo...

Geographical classification of population: Analysis of amino acid in fingermark residues using UHPLC-QQQ-MS/MS combined with machine learning.

Forensic science international
OBJECTIVE: To determine the living regions of individuals based on amino acids in fingermark residues and to establish a rapid and accurate regional classification method using machine learning.

Development of deep learning software to improve HPLC and GC predictions using a new crown-ether based mesogenic stationary phase and beyond.

Journal of chromatography. A
The application of AI to analytical and separative sciences is a recent challenge that offers new perspectives in terms of data prediction. In this work, we report an AI-based software, named Chrompredict 1.0, which based on chromatographic data of a...

Untargeted Metabolomics and Soil Community Metagenomics Analyses Combined with Machine Learning Evaluation Uncover Geographic Differences in Ginseng from Different Locations.

Journal of agricultural and food chemistry
C.A. Meyer, known as the "King of Herbs," has been used as a nutritional supplement for both food and medicine with the functions of relieving fatigue and improving immunity for thousands of years in China. In agricultural planting, soil environment...

Optimization of the extraction process of total steroids from (Schwein.) Pat. by artificial neural network (ANN)-response surface methodology and identification of extract constituents.

Preparative biochemistry & biotechnology
(Schwein.) Pat has pharmacological effects such as tonifying the spleen, dispelling dampness, and strengthening the stomach, in which sterol is one of the main compounds of , but there has not been thought you to its extraction and detailed identifi...

Development of an equation to predict delta bilirubin levels using machine learning.

Clinica chimica acta; international journal of clinical chemistry
OBJECTIVE: Delta bilirubin (albumin-covalently bound bilirubin) may provide important clinical utility in identifying impaired hepatic excretion of conjugated bilirubin, but it cannot be measured in real-time for diagnostic purposes in clinical labor...