The modelling and prediction of reversed-phase chromatographic retention time (tR) under gradient elution conditions for 166 pharmaceuticals in wastewater extracts is presented using artificial neural networks for the first time. Radial basis functio...
Analytical and bioanalytical chemistry
Mar 21, 2015
An automated high-throughput solid phase extraction (SPE) micro-elution method for 8 perfluorosulfonic acids, 11 perfluorocarboxylic acids and fluorooctane sulfonamide in human serum was developed. Importance was attached to the application of small ...
Nonsteroidal anti-inflammatory drugs are the most used anti-inflammatory medicines in the world. Side effects still occur, however, and some inflammatory pathologies lack efficient treatment. Cyclooxygenase and lipoxygenase pathways are of utmost imp...
Mass spectrometry (MS) is an important analytical technique with numerous applications in clinical analysis, biochemistry, environmental analysis, geology and physics. Its success builds on the ability of MS to determine molecular weights of analytes...
Compound annotation, including the unveiling of dark matter in the metabolomics study represents a pivotal undertaking within the metabolomics field, serving as the linchpin for unraveling the identities and attributes of chemical entities. This narr...
Cross-linking mass spectrometry (XL-MS) is a powerful tool in structural proteomics, offering insights into protein conformations, interactions and dynamics by linking spatially proximal residues. However, current cross-linked spectrum match (CSM) sc...
Journal of pharmaceutical and biomedical analysis
Nov 15, 2025
Fatty oils are essential in the pharmaceutical field for enhancing the solubility and oral bioavailability of drugs, as well as reducing the risk of cardiovascular diseases. Consequently, detecting adulteration in specific fatty oils is critical to e...
Angewandte Chemie (International ed. in English)
Nov 3, 2025
Single-cell mass spectrometry (MS) offers unprecedented sensitivity for profiling cellular proteomes, yet widespread adoption is hindered by the cost of advanced instrumentation. Here, we broaden access to single-cell proteomics by combining capillar...
Mass spectrometry (MS) has emerged as a powerful omics analysis technique, particularly in proteomics, where the initial step involves identifying MS spectra as peptide sequences. However, this process often requires substantial computational resourc...
Interdisciplinary sciences, computational life sciences
Sep 1, 2025
In top-down proteomics, the accurate identification and characterization of proteoform through mass spectrometry represents a critical objective. As a result, achieving accuracy in identification results is essential. Multiple primary structure alter...
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