AIMC Topic: Chromatography, High Pressure Liquid

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Machine learning for predicting retention times of chiral analytes chromatographically separated by CMPA technique.

Journal of chromatography. A
Chiral mobile phase additive (CMPA) technique is an attractive method for chromatographic enantioseparation of chiral analytes. However, establishing chromatographic separation and analysis methods for given chiral analytes often requires extensive t...

Metabolomics and machine learning identify urine metabolic characteristics and potential biomarkers for severe Mycoplasma pneumoniae pneumonia.

Scientific reports
To study the differences in the urine metabolome between pediatric patients with severe Mycoplasma pneumoniae pneumonia (SMPP) and those with general Mycoplasma pneumoniae pneumonia (GMPP) via non-targeted metabolomics method, and potential biomarker...

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...

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...

Benzoyl Chloride Derivatization Coupled With Liquid Chromatography-Mass Spectrometry for the Simultaneous Quantification of Molnupiravir and Its Metabolite β-d-N-hydroxycytidine in Human Plasma.

Journal of separation science
A sensitive and efficient method for simultaneous quantifying molnupiravir and its active metabolite β-d-N-hydroxycytidine in human plasma was developed by combining chemical derivatization with liquid chromatography-tandem mass spectrometry. Through...

Analytical Quality by Design for Chiral Pharmaceuticals: A Robust HPLC Method for Upadacitinib Enantiomeric Quantification.

Chirality
Ensuring the enantiomeric purity of chiral pharmaceuticals is paramount for patient safety and therapeutic efficacy. Upadacitinib (UPA), a vital Janus kinase 1 (JAK-1) inhibitor for rheumatoid arthritis treatment, exemplifies this need. This study re...

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.

Simultaneous Determination of Estradiol Cypionate and Medroxyprogesterone Acetate Hormones in Injectable Suspension by UV Spectrophotometry Based on Least-Squares Support Vector Machine and Fuzzy Inference System: Comparison with HPLC.

Journal of AOAC International
BACKGROUND: The combination of estradiol cypionate (ECA) and medroxyprogesterone acetate (MPA) is used to prevent pregnancy in women. The analysis of the ECA and MPA combination reveals a challenge due to the strong overlap of the spectra of these co...

UPLC-MS/MS Method for Detection of Etomidate and Its Metabolite Etomidate Acid Quantity in Blood.

Fa yi xue za zhi
OBJECTIVES: To establish a method for the simultaneous quantitative analysis of etomidate and its metabolite etomidate acid in blood, and to discuss its application value in actual cases.

Simultaneous Quantitative Analysis of Salmeterol and Fluticasone in Inhalation Spray Using HPLC and a Fast Spectrophotometric Technique Combined with a Time Series Neural Network and Multivariate Calibration Methods.

Journal of AOAC International
BACKGROUND: Chromatographic methods have been used for the simultaneous determination of salmeterol (SMT) and fluticasone (FLU). The methods take a lot of analysis time, need sample pre-treatment and large amounts of solvents, and are costly.