AIMC Topic: Mass Spectrometry
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Advanced deep learning models for predicting elemental concentrations in iron ore mine using XRF data: a cost-effective alternative to ICP-MS methods.
Environmental geochemistry and health
Mar 5, 2025
Accurate elemental analysis is a critical requirement for mineral exploration, particularly in regions like Iran, where the mining sector has experienced a substantial increase in exploration activities over the past decade. Inductively Coupled Plasm...
QuanFormer: A Transformer-Based Precise Peak Detection and Quantification Tool in LC-MS-Based Metabolomics.
Analytical chemistry
Jan 27, 2025
In metabolomic analysis based on liquid chromatography coupled with mass spectrometry, detecting and quantifying intricate objects is a massive job. Current peak picking methods still cause high rates of incorrectly picked peaks to influence the reli...
Deep Learning Predicts Non-Normal Transmission Distributions in High-Field Asymmetric Waveform Ion Mobility (FAIMS) Directly from Peptide Sequence.
Analytical chemistry
Jan 26, 2025
Peptide ion mobility adds an extra dimension of separation to mass spectrometry-based proteomics. The ability to accurately predict peptide ion mobility would be useful to expedite assay development and to discriminate true answers in a database sear...
Prediction of coffee traits by artificial neural networks and laser-assisted rapid evaporative ionization mass spectrometry.
Food research international (Ottawa, Ont.)
Jan 23, 2025
BACKGROUND: Coffee is an important commodity in the worldwide economy and smart technologies are important for accurate quality control and consumer-oriented product development. Sensory perception is probably the most important information since it ...
iDIA-QC: AI-empowered data-independent acquisition mass spectrometry-based quality control.
Nature communications
Jan 21, 2025
Quality control (QC) in mass spectrometry (MS)-based proteomics is mainly based on data-dependent acquisition (DDA) analysis of standard samples. Here, we collect 2754 files acquired by data independent acquisition (DIA) and paired 2638 DDA files fro...
Untargeted Swab Touch Spray-Mass Spectrometry Analysis with Machine Learning for On-Site Breast Surgical Margin Assessment.
Analytical chemistry
Jan 19, 2025
Direct sampling mass spectrometry (MS) has rapidly advanced with the development of ambient ionization MS techniques. Swab touch-spray (TS)-MS has shown promise for rapid clinical diagnostics. However, commercially available swabs are notorious for t...
Unraveling Spatial Heterogeneity in Mass Spectrometry Imaging Data with GraphMSI.
Advanced science (Weinheim, Baden-Wurttemberg, Germany)
Jan 7, 2025
Mass spectrometry imaging (MSI) provides valuable insights into metabolic heterogeneity by capturing in situ molecular profiles within organisms. One challenge of MSI heterogeneity analysis is performing an objective segmentation to differentiate the...
LC-MS profiling and cytotoxic activity of Angiopteris helferiana against HepG2 cell line: Molecular insight to investigate anticancer agent.
PloS one
Dec 31, 2024
Liver cancer is one of the most prevalent malignant diseases in humans and the second leading cause of cancer-related mortality globally. Angiopteris helferiana was mentioned as a possible anticancer herb according to ethnomedicinal applications. How...
Deep Learning-Enabled Rapid Metabolic Decoding of Small Extracellular Vesicles via Dual-Use Mass Spectroscopy Chip Array.
Analytical chemistry
Dec 23, 2024
The increasing focus of small extracellular vesicles (sEVs) in liquid biopsy has created a significant demand for streamlined improvements in sEV isolation methods, efficient collection of high-quality sEV data, and powerful rapid analysis of large d...
Environmental drivers of dissolved organic matter composition across central European aquatic systems: A novel correlation-based machine learning and FT-ICR MS approach.
Water research
Dec 20, 2024
Dissolved organic matter (DOM) present in surface aquatic systems is a heterogeneous mixture of organic compounds reflecting its allochthonous and autochthonous organic matter (OM) sources. The composition of DOM is determined by environmental factor...
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