AIMC Topic: Mass Spectrometry
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Mass Spectrometric and Artificial Intelligence-Based Identification of the Secretome of Plasmodium falciparum Merozoites to Provide Novel Candidates for Vaccine Development Pipeline.
Proteomics. Clinical applications
Jul 31, 2024
PURPOSE: Merozoites are the only extracellular form of blood stage parasites, making it a worthwhile target. Multiple invasins that are stored in the merozoite apical organelles, are secreted just prior to invasion, and mediates its interaction with ...
Machine Learning Strategies to Tackle Data Challenges in Mass Spectrometry-Based Proteomics.
Journal of the American Society for Mass Spectrometry
Jul 29, 2024
In computational proteomics, machine learning (ML) has emerged as a vital tool for enhancing data analysis. Despite significant advancements, the diversity of ML model architectures and the complexity of proteomics data present substantial challenges...
Comparative evaluating laser ionization and iKnife coupled with rapid evaporative ionization mass spectrometry and machine learning for geographical authentication of Larimichthys crocea.
Food chemistry
Jul 20, 2024
Larimichthys crocea (LYC) holds significant economic value as a marine fish species. However, inaccuracies in labeling its origin can adversely affect consumer interests. Herein, a laser assisted rapid evaporative ionization mass spectrometry (LA-REI...
Probing nitro(so) and chloro byproducts and their precursors in natural organic matter during UV/NHCl treatment by FT-ICR MS with machine learning insights.
Water research
Jul 14, 2024
The UV/monochloramine (UV/NHCl) process, while efficiently eliminating micropollutants, produces toxic byproducts. This study utilized Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) to investigate molecular-level changes in n...
Pioneering noninvasive colorectal cancer detection with an AI-enhanced breath volatilomics platform.
Theranostics
Jul 8, 2024
The sensitivity and specificity of current breath biomarkers are often inadequate for effective cancer screening, particularly in colorectal cancer (CRC). While a few exhaled biomarkers in CRC exhibit high specificity, they lack the requisite sensit...
In vitro metabolic studies and machine learning analysis of mass spectrometry data: A dual strategy for differentiating alpha-pyrrolidinohexiophenone (α-PHP) and alpha-pyrrolidinoisohexanophenone (α-PiHP) in urine analysis.
Forensic science international
Jul 6, 2024
Synthetic cathinones are some of the most prevalent new psychoactive substances (NPSs) globally, with alpha-pyrrolidinoisohexanophenone (α-PiHP) being particularly noted for its widespread use in the United States, Europe, and Taiwan. However, the an...
Exposure Pathways of Ambient Magnetite Nanoparticles Revealed by Machine Learning-Aided Single-Particle Mass Spectrometry.
Nano letters
Jul 2, 2024
Nanosized ultrafine particles (UFPs) from natural and anthropogenic sources are widespread and pose serious health risks when inhaled by humans. However, tracing the inhaled UFPs is extremely difficult, and the distribution, translocation, and metab...
Imputation of label-free quantitative mass spectrometry-based proteomics data using self-supervised deep learning.
Nature communications
Jun 26, 2024
Imputation techniques provide means to replace missing measurements with a value and are used in almost all downstream analysis of mass spectrometry (MS) based proteomics data using label-free quantification (LFQ). Here we demonstrate how collaborati...
Predicting Odor Sensory Attributes of Unidentified Chemicals in Water Using Fragmentation Mass Spectra with Machine Learning Models.
Environmental science & technology
Jun 15, 2024
Knowing odor sensory attributes of odorants lies at the core of odor tracking when addressing waterborne odor issues. However, experimental determination covering tens of thousands of odorants in authentic water is not pragmatic due to the complexity...
Occurrence and Distribution of Antibacterial Quaternary Ammonium Compounds in Chinese Estuaries Revealed by Machine Learning-Assisted Mass Spectrometric Analysis.
Environmental science & technology
Jun 13, 2024
Antimicrobial resistance (AMR) undermines the United Nations Sustainable Development Goals of good health and well-being. Antibiotics are known to exacerbate AMR, but nonantibiotic antimicrobials, such as quaternary ammonium compounds (QACs), are now...
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