AIMC Topic: Mass Spectrometry
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Bioanalysis of antihypertensive drugs by LC-MS: a fleeting look at the regulatory guidelines and artificial intelligence.
Bioanalysis
Apr 21, 2025
Hypertension is a multifaceted cardiovascular disease, a significant risk factor for stroke, heart attack, heart failure, and renal damage. An essential phase in the drug development process is the exploration of effective bioanalytical approaches to...
Integrating mass defect filtering and targeted molecular networking for foodomics research: A case study of Magnolia officinalis cortex.
Food research international (Ottawa, Ont.)
Apr 18, 2025
Mass spectrometry (MS)-based foodomics is widely used to tackle complex challenges in food science, although its effectiveness is often hampered by extensive data redundancy. To address this limitation, a novel MS-based foodomics strategy, integratin...
Peptide Property Prediction for Mass Spectrometry Using AI: An Introduction to State of the Art Models.
Proteomics
Apr 10, 2025
This review explores state of the art machine learning and deep learning models for peptide property prediction in mass spectrometry-based proteomics, including, but not limited to, models for predicting digestibility, retention time, charge state di...
Prioritization strategies for non-target screening in environmental samples by chromatography - High-resolution mass spectrometry: A tutorial.
Journal of chromatography. A
Apr 4, 2025
Non-target screening (NTS) using chromatography coupled to high-resolution mass spectrometry (HRMS), has become fundamental for detecting and prioritizing chemicals of emerging concern (CECs) in complex environmental matrices. The vast number of gene...
FACT: foundation model for assessing cancer tissue margins with mass spectrometry.
International journal of computer assisted radiology and surgery
Apr 4, 2025
PURPOSE: Accurately classifying tissue margins during cancer surgeries is crucial for ensuring complete tumor removal. Rapid Evaporative Ionization Mass Spectrometry (REIMS), a tool for real-time intraoperative margin assessment, generates spectra th...
Imaging and spatially resolved mass spectrometry applications in nephrology.
Nature reviews. Nephrology
Mar 27, 2025
The application of spatially resolved mass spectrometry (MS) and MS imaging approaches for studying biomolecular processes in the kidney is rapidly growing. These powerful methods, which enable label-free and multiplexed detection of many molecular c...
Resolving multi-image spatial lipidomic responses to inhaled toxicants by machine learning.
Nature communications
Mar 26, 2025
Regional responses to inhaled toxicants are essential to understand the pathogenesis of lung disease under exposure to air pollution. We evaluate the effect of combined allergen sensitization and ozone exposure on eliciting spatial differences in lip...
Advancing non-target analysis of emerging environmental contaminants with machine learning: Current status and future implications.
Environment international
Mar 22, 2025
Emerging environmental contaminants (EECs) such as pharmaceuticals, pesticides, and industrial chemicals pose significant challenges for detection and identification due to their structural diversity and lack of analytical standards. Traditional targ...
Rapid, non-invasive breath analysis for enhancing detection of silicosis using mass spectrometry and interpretable machine learning.
Journal of breath research
Mar 21, 2025
Occupational lung diseases, such as silicosis, are a significant global health concern, especially with increasing exposure to engineered stone dust. Early detection of silicosis is helpful for preventing disease progression, but existing diagnostic ...
Surface-Induced Unfolding Reveals Unique Structural Features and Enhances Machine Learning Classification Models.
Analytical chemistry
Mar 14, 2025
Native ion mobility-mass spectrometry combined with collision-induced unfolding (CIU) is a powerful analytical method for protein characterization, offering insights into structural stability and enabling the differentiation of analytes with similar ...
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