AIMC Topic: Tandem Mass Spectrometry
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Prediction of HPLC retention times of tebipenem pivoxyl and its degradation products in solid state by applying adaptive artificial neural network with recursive features elimination.
Talanta
Feb 4, 2015
A sensitive and fast HPLC method using ultraviolet diode-array detector (DAD)/electrospray ionization tandem mass spectrometry (Q-TOF-MS/MS) was developed for the determination of tebipenem pivoxyl and in the presence of degradation products formed d...
Antioxidant bioactivity of sunflower protein hydrolysates in Caco-2 cells and in silico structural properties.
Food chemistry
Sep 30, 2025
Sunflower protein hydrolysate (SPH), with 95 % reduced phenolic content, was studied for its protective effects against oxidative stress in intestinal cells (Caco-2). Produced via alcalase hydrolysis, SPH's molecular weight, amino acid composition, a...
Toward the Development of a Novel Newborn Screening Modality: In-Depth Nontargeted Proteome Analysis of Dried Blood Spots with a Robotic Pipeline Using Low-Cost Iron Powders.
Analytical chemistry
Aug 26, 2025
We developed a simple protein extraction method for dried blood spots (DBS) that potentially meets the throughput required for newborn screening (NBS) and optimizes nontargeted proteomic analysis in combination with liquid chromatography coupled mass...
Adduct-Induced Variability in Tandem Mass Spectrometry.
Analytical chemistry
Aug 12, 2025
Tandem mass spectrometry (MS/MS) provides essential structural information and plays a central role in compound annotation in metabolomics. While different precursor ion types are expected to influence the generation of MS/MS spectra, systematic inve...
Precise classification of traditional Chinese medicine sources using intelligent fusion of hyperspectral imaging-mass spectrometry data combined with machine learning: A case study of American ginseng.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Aug 5, 2025
The application of artificial intelligence in traditional Chinese medicine (TCM) has become a hot topic in the scientific community. American ginseng (AG), a perennial herb with a rich history, is widely utilized in clinical settings due to its diver...
Intelligent characterization multi-components in Yangxinshi tablet by online comprehensive two-dimensional liquid chromatography-quadrupole time-of-flight mass spectrometry combined with deep learning-assisted mass defect filtering classification and multidimensional data annotation strategy.
Talanta
Aug 1, 2025
A comprehensive characterization strategy for the intelligent analysis of multiple chemical components in Yangxinshi Tablet (YXST) was established. The strategy developed the deep learning-assisted mass defect filtering intelligent classification, pr...
MS2MP: A Deep Learning Framework for Metabolic Pathway Prediction from MS/MS-Based Untargeted Metabolomics.
Analytical chemistry
Jul 15, 2025
MS/MS-based untargeted metabolomics generates complex data, but pathway enrichment analysis is constrained by the low annotation rates of metabolic features. Here, we propose MS2MP, a novel deep learning-based framework for KEGG pathway prediction di...
Integration of Metabolomics, Lipidomics, and Machine Learning for Developing a Biomarker Panel to Distinguish the Severity of Metabolic-Associated Fatty Liver Disease.
Biomedical chromatography : BMC
Jul 1, 2025
Metabolic-associated fatty liver disease (MAFLD), a global health challenge linked to metabolic syndrome, requires accurate severity stratification for clinical management. Current invasive diagnostic methods limit practical implementation. This stud...
Lab-made open-source controlled robotic workstation for sorbent-based dispersive microextraction of low-volume samples.
Analytica chimica acta
Jun 22, 2025
BACKGROUND: Despite microextraction techniques have gained prominence over traditional extraction ones, they usually involve repetitive and tedious manual procedures. Full or partial automation could help alleviate this drawback. Even though commerci...
Exploration of Active Substances and Its Potential Mechanism of Gancao Fuzi Decoction on Inflammatory Based on Metabolomics and Network Pharmacology.
Rapid communications in mass spectrometry : RCM
May 30, 2025
Gancao Fuzi decoction (GCFZT) is a traditional Chinese formula, which has been commonly used in clinical practice to treat inflammatory diseases. However, the active substance of GCFZT in the treatment of inflammation is not fully clarified. In this ...
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