AIMC Topic: Liquid Chromatography-Mass Spectrometry
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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...
Discovery of urinary biosignatures for tuberculosis and nontuberculous mycobacteria classification using metabolomics and machine learning.
Scientific reports
Jul 3, 2024
Nontuberculous mycobacteria (NTM) infection diagnosis remains a challenge due to its overlapping clinical symptoms with tuberculosis (TB), leading to inappropriate treatment. Herein, we employed noninvasive metabolic phenotyping coupled with comprehe...
Up-Regulation
Tuberculosis
Mycobacterium Infections, Nontuberculous
Down-Regulation
Area Under Curve
Middle Aged
Amino Acids
Phenotype
Metabolome
Aged
ROC Curve
Humans
Random Forest
Biomarkers
Diagnosis, Differential
Metabolomics
Male
Models, Statistical
Liquid Chromatography-Mass Spectrometry
Machine Learning
BERNN: Enhancing classification of Liquid Chromatography Mass Spectrometry data with batch effect removal neural networks.
Nature communications
May 6, 2024
Liquid Chromatography Mass Spectrometry (LC-MS) is a powerful method for profiling complex biological samples. However, batch effects typically arise from differences in sample processing protocols, experimental conditions, and data acquisition techn...
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
Aug 1, 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...
Enhancing pyrrolizidine alkaloid separation and detection: LC-MS/MS method development and integration of ion mobility spectrometry into the LC-HRMS workflow.
Journal of chromatography. A
May 10, 2025
Pyrrolizidine alkaloids (PAs) are plant toxins occurring in different foodstuffs, including teas, herbal infusions and species. Additionally, PAs may be transferred to honey and pollen when honeybees come into contact with contaminated plants. Due to...
Benzoyl Chloride Derivatization Coupled With Liquid Chromatography-Mass Spectrometry for the Simultaneous Quantification of Molnupiravir and Its Metabolite β-d-N-hydroxycytidine in Human Plasma.
Journal of separation science
May 1, 2025
A sensitive and efficient method for simultaneous quantifying molnupiravir and its active metabolite β-d-N-hydroxycytidine in human plasma was developed by combining chemical derivatization with liquid chromatography-tandem mass spectrometry. Through...
LC-MS/MS-Based Assay for Steroid Profiling in Peripheral and Adrenal Venous Samples for the Subtyping of Primary Aldosteronism.
Journal of clinical hypertension (Greenwich, Conn.)
May 1, 2025
Given the largely unexplored application of liquid chromatography-tandem mass spectrometry (LC-MS/MS) steroid analysis in primary aldosteronism (PA), we aimed to investigate its diagnostic utility in PA classification and to characterize steroid secr...
Prediction of Anti-rheumatoid Arthritis Natural Products of Xanthocerais Lignum Based on LC-MS and Artificial Intelligence.
Combinatorial chemistry & high throughput screening
Jan 1, 2025
AIMS: Employing the technique of liquid chromatography-mass spectrometry (LCMS) in conjunction with artificial intelligence (AI) technology to predict and screen for antirheumatoid arthritis (RA) active compounds in Xanthocerais lignum.
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