AIMC Topic: Chromatography, High Pressure Liquid

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Determination of new psychoactive substances and other drugs in postmortem blood and urine by UHPLC-MS/MS: method validation and analysis of forensic samples.

Forensic toxicology
PURPOSE: This study aimed to validate a modified QuEChERS method followed by ultra-high performance liquid chromatography-tandem mass spectrometry to determine 79 new psychoactive substances (NPS) and other drugs in blood and urine.

Assessment of lemon juice quality and adulteration by ultra-high performance liquid chromatography/triple quadrupole mass spectrometry with interactive and interpretable machine learning.

Journal of food and drug analysis
A total of 81 lemon juices samples were detected using an optimized UHPLC-QqQ-MS/MS method and colorimetric assays. Concentration of 3 organic acids (ascorbic acid, malic acid and citric acid), 3 saccharides (glucose, fructose and sucrose) and 6 phen...

Retention time prediction using neural networks increases identifications in crosslinking mass spectrometry.

Nature communications
Crosslinking mass spectrometry has developed into a robust technique that is increasingly used to investigate the interactomes of organelles and cells. However, the incomplete and noisy information in the mass spectra of crosslinked peptides limits t...

Spectrofluorometric analysis combined with machine learning for geographical and varietal authentication, and prediction of phenolic compound concentrations in red wine.

Food chemistry
Fluorescence spectroscopy is rapid, straightforward, selective, and sensitive, and can provide the molecular fingerprint of a sample based on the presence of various fluorophores. In conjunction with chemometrics, fluorescence techniques have been ap...

A new rapid diagnostic system with ambient mass spectrometry and machine learning for colorectal liver metastasis.

BMC cancer
BACKGROUND: Probe electrospray ionization-mass spectrometry (PESI-MS) can rapidly visualize mass spectra of small, surgically obtained tissue samples, and is a promising novel diagnostic tool when combined with machine learning which discriminates ma...

Machine Learning and Novel Biomarkers for the Diagnosis of Alzheimer's Disease.

International journal of molecular sciences
BACKGROUND: Alzheimer's disease (AD) is a complex and severe neurodegenerative disease that still lacks effective methods of diagnosis. The current diagnostic methods of AD rely on cognitive tests, imaging techniques and cerebrospinal fluid (CSF) lev...

Chemometrics-based models hyphenated with ensemble machine learning for retention time simulation of isoquercitrin in Coriander sativum L. using high-performance liquid chromatography.

Journal of separation science
In this research, two nonlinear models, namely; adaptive neuro-fuzzy inference system and feed-forward neural network and a classical linear model were employed for the prediction of retention time of isoquercitrin in Coriander sativum L. using the h...

Simultaneous determination and quantitation of hypolipidemic drugs in fingerprints by UPLC-Q-TRAP/MS.

Journal of chromatography. B, Analytical technologies in the biomedical and life sciences
An ultra-performance liquid chromatography tandem triple quadrupole compound linear ion trap mass spectrometry (UPLC-Q-TRAP/MS) method was developed and validated for the detection of hypolipidemic drugs in fingerprints. 13 hypolipidemic drugs were w...