AIMC Topic: Liquid Chromatography-Mass Spectrometry
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Robust Multiclass Feature Selection for the Authentication of Honey Botanical Origin via Nontargeted LC-MS Analysis.
Analytical chemistry
Jun 11, 2025
Honey is one of the most frequently frauded foods due to the high market price of certain kinds of monofloral honey. Traditional authentication methods involving pollen or targeted analysis have limitations that can be manipulated by fraudsters. Nont...
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...
Machine learning-guided Orbitrap-HRAMS-based metabolomic fingerprinting for geographical origin, variety and tissue specific authentication, and adulteration detection of turmeric and ashwagandha.
Food chemistry
Mar 28, 2025
The increasing global demand for herbs and spices in food and nutraceutical industries highlights their key functional benefits, including antioxidant and anti-inflammatory properties. Ensuring authenticity and traceability is essential to counteract...
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...
Metabolomics
Chromatography, Liquid
Liquid Chromatography-Mass Spectrometry
Tandem Mass Spectrometry
Meningioma
Meningeal Neoplasms
Case-Control Studies
Spectrum Analysis, Raman
Spectroscopy, Fourier Transform Infrared
Biomarkers, Tumor
Male
Middle Aged
Humans
Machine Learning
Prognosis
Female
Aged
Adult
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...
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...
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...
Metabolomic profiling of dengue infection: unraveling molecular signatures by LC-MS/MS and machine learning models.
Metabolomics : Official journal of the Metabolomic Society
Sep 21, 2024
BACKGROUND & OBJECTIVE: The progression of dengue fever to severe dengue (SD) is a major public health concern that impairs the capacity of the medical system to predict and treat dengue patients. Hence, the present study used a metabolomic approach ...
Application of untargeted liquid chromatography-mass spectrometry to routine analysis of food using three-dimensional bucketing and machine learning.
Scientific reports
Jul 18, 2024
For the detection of food adulteration, sensitive and reproducible analytical methods are required. Liquid chromatography coupled to high-resolution mass spectrometry (LC-HRMS) is a highly sensitive method that can be used to obtain analytical finger...
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