AIMC Topic: Chromatography, Liquid
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Defining the biomarkers in anti-MRSA fractions of soil Streptomycetes by multivariate analysis.
Antonie van Leeuwenhoek
May 10, 2025
Methicillin-resistant Staphylococcus aureus (MRSA) is one of the most alarming antibiotic-resistant pathogens causing nosocomial and community-acquired infections. Actinomycetes, particularly Streptomycetes, have historically been a major source of n...
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...
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...
A large-scale multicenter study of reference intervals and clinical potential for homocysteine-folate cycle metabolites in Northern Chinese population.
Clinica chimica acta; international journal of clinical chemistry
Mar 27, 2025
OBJECTIVES: The study was conducted to establish the reference intervals of homocysteine-folate cycle metabolites based on the healthy population from multiple centers in northern China, and determine their clinical significance in the diagnosis of r...
SWAPS: A Modular Deep-Learning Empowered Peptide Identity Propagation Framework Beyond Match-Between-Run.
Journal of proteome research
Mar 7, 2025
Mass spectrometry (MS)-based proteomics relies heavily on MS/MS (MS2) data, which do not fully exploit the available MS1 information. Traditional peptide identity propagation (PIP) methods, such as match-between-runs (MBR), are limited to similar run...
Machine Learning-based Classification for the Prioritization of Potentially Hazardous Chemicals with Structural Alerts in Nontarget Screening.
Environmental science & technology
Mar 7, 2025
Nontarget screening (NTS) with liquid chromatography high-resolution mass spectrometry (LC-HRMS) is commonly used to detect unknown organic micropollutants in the environment. One of the main challenges in NTS is the prioritization of relevant LC-HRM...
IodoFinder: Machine Learning-Guided Recognition of Iodinated Chemicals in Nontargeted LC-MS/MS Analysis.
Environmental science & technology
Feb 27, 2025
Iodinated disinfection byproducts (I-DBPs) pose significant health concerns due to their high toxicity. Current approaches to recognize unknown I-DBPs in mass spectrometry (MS) analysis rely on negative ionization mode, in which the characteristic I ...
Serum Metabolomics Profiling Coupled with Machine Learning Identifies Potential Diagnostic and Prognostic Candidate Markers in Meningioma Using Raman Spectroscopy, ATR-FTIR, and LC-MS/MS.
Journal of proteome research
Feb 25, 2025
Meningioma, the most prevalent brain tumor, poses significant challenges due to its unclear transition from low-grade to aggressive forms, with limited knowledge about grade-specific markers. We have utilized vibrational spectroscopic techniques such...
Humans
Metabolomics
Chromatography, Liquid
Aged
Liquid Chromatography-Mass Spectrometry
Male
Tandem Mass Spectrometry
Case-Control Studies
Adult
Middle Aged
Meningioma
Spectrum Analysis, Raman
Biomarkers, Tumor
Machine Learning
Meningeal Neoplasms
Spectroscopy, Fourier Transform Infrared
Prognosis
Female
Machine Learning-Based Bioactivity Classification of Natural Products Using LC-MS/MS Metabolomics.
Journal of natural products
Feb 7, 2025
The rediscovery of known drug classes represents a major challenge in natural products drug discovery. Compound rediscovery inhibits the ability of researchers to explore novel natural products and wastes significant amounts of time and resources. Th...
An AI-assisted morphoproteomic approach is a supportive tool in esophagitis-related precision medicine.
EMBO molecular medicine
Feb 3, 2025
Esophagitis is a frequent, but at the molecular level poorly characterized condition with diverse underlying etiologies and treatments. Correct diagnosis can be challenging due to partially overlapping histological features. By proteomic profiling of...
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