Data-independent acquisition (DIA)-based mass spectrometry is becoming an increasingly popular mass spectrometry acquisition strategy for carrying out quantitative proteomics experiments. Most of the popular DIA search engines make use of in silico g...
: Analysis of small molecule metabolites found in blood plasma of patients undergoing treatment for STEMI has the potential to be used as a clinical diagnostic and prognostic tool, capable of predicting disease progression, risk of negative outcomes,...
Analytical methods : advancing methods and applications
Oct 30, 2025
Breath analysis by direct mass spectrometry faces significant challenges due to the inherent complexities in sample collection, low analyte concentrations, and accurate compound identification. While current breath analysis primarily focuses on volat...
Lyme neuroborreliosis (LNB), a nervous system infection caused by tick-borne spirochetes of the Borrelia burgdorferi sensu lato complex, is among the most frequent bacterial infections of the nervous system in Europe. Early diagnosis and continuous m...
Rapid and accurate diagnosis of emerging inflammatory illnesses is challenging due to overlapping clinical features with existing conditions. We demonstrate an approach that integrates proteomic analysis with machine learning to identify diagnostic p...
This tutorial offers a step-by-step guide for analytical chemists to train machine learning models for MS-based metabolomics. It covers data preparation, feature engineering, model selection, evaluation, and interpretation, along with real-world exam...
XGBoost, a gradient boosting algorithm, is widely recognized for its efficiency and robustness in multiclass classification tasks. Metabolomics serves as a powerful tool for biomarker discovery; however, metabolic biomarkers associated with the progr...
Non-target screening (NTS) of plant secondary metabolites is analytically challenging due to the complexity of mixtures with structurally similar compounds and isomers. This study evaluates the added value of ion mobility spectrometry (IMS) and compr...
The fruit of Hovenia dulcis, a popular Korean hangover remedy, is marketed as Korean and Chinese products. To protect domestic producers, ensure accurate labeling, and safeguard consumers, this study discriminated origin through inorganic element ana...
Detecting PFAS is challenging due to their diverse chemical structures, lack of standards, complex sample matrices, and the need for sensitive equipment to measure trace levels. Background contamination and the sheer number of PFAS further hinder the...
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