AIMC Topic: Tandem Mass Spectrometry
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Liquid chromatography-tandem mass spectrometry (LC-MS/MS) method for determination of free and total dabigatran in human plasma and its application to a pharmacokinetic study.
Drug development and industrial pharmacy
May 4, 2022
A high-performance liquid chromatography-tandem mass spectrometric method for the determination of free and total dabigatran in human plasma has been developed and validated using a stable labeled internal standard (IS) as dabigatran D. The extractio...
Deep Learning-Assisted Peak Curation for Large-Scale LC-MS Metabolomics.
Analytical chemistry
Mar 15, 2022
Available automated methods for peak detection in untargeted metabolomics suffer from poor precision. We present NeatMS, which uses machine learning based on a convoluted neural network to reduce the number and fraction of false peaks. NeatMS comes w...
MSSort-DIA: A deep learning classification tool of the peptide precursors quantified by OpenSWATH.
Journal of proteomics
Feb 26, 2022
OpenSWATH is an analysis toolkit commonly used for data independent acquisition (DIA). Although the output of OpenSWATH is controlled at 1% false discovery rate (FDR), the output report still contains many peptide precursors with low similarity fragm...
Rapid detection of α-amanitin and β-amanitin in rat plasma by ultra-performance liquid chromatography-tandem mass spectrometry and its application to the toxicokinetic study of Lepiota brunneoincarnata.
Forensic toxicology
Dec 1, 2021
PURPOSE: Lepiota brunneoincarnata is a well-known poisonous mushroom and is responsible for fatal mushroom poisoning cases worldwide. α-Amanitin and β-amanitin are the main amatoxin compounds of Lepiota brunneoincarnata. However, there are no publish...
DeepPhospho accelerates DIA phosphoproteome profiling through in silico library generation.
Nature communications
Nov 18, 2021
Phosphoproteomics integrating data-independent acquisition (DIA) enables deep phosphoproteome profiling with improved quantification reproducibility and accuracy compared to data-dependent acquisition (DDA)-based phosphoproteomics. DIA data mining he...
Development and validation of a sensitive and high throughput UPLC-MS/MS method for determination of paraquat and diquat in human plasma and urine: application to poisoning cases at emergency departments of hospitals.
Forensic toxicology
Nov 12, 2021
PURPOSE: Paraquat and diquat are well-known toxic herbicides, at least responsible for hundreds of fatal poisoning events worldwide. However, the determination of diquat and paraquat in plasma and urine is very challenging because of their high polar...
Rapid and sensitive UHPLC-MS/MS methods for dietary sample analysis of 43 mycotoxins in China total diet study.
Journal of advanced research
Oct 19, 2021
INTRODUCTION: Mycotoxins are toxic metabolites produced by fungi that commonly contaminate foods. As recommended by the World Health Organization, total diet study (TDS) is the most efficient and effective way to estimate the dietary intakes of certa...
Determination of new psychoactive substances and other drugs in postmortem blood and urine by UHPLC-MS/MS: method validation and analysis of forensic samples.
Forensic toxicology
Oct 5, 2021
PURPOSE: This study aimed to validate a modified QuEChERS method followed by ultra-high performance liquid chromatography-tandem mass spectrometry to determine 79 new psychoactive substances (NPS) and other drugs in blood and urine.
A fatal case involved in pyrethroid insecticide ingestion: quantification of tetramethrin and resmethrin in body fluids of a deceased by LC-MS/MS.
Forensic toxicology
Sep 16, 2021
PURPOSE: The quantification of parent molecules of pyrethroids tetramethrin and resmethrin in human specimens by a mass spectrometry (MS) technique has not been reported yet. A woman in her 60s was found dead in a wasteland. At the scene, an empty be...
Polydopamine and silica nanoparticles magnetic solid phase extraction coupled with liquid chromatography-tandem mass spectrometry to determine phenolic acids and flavonoids in fruit wine.
Journal of food and drug analysis
Sep 15, 2021
Magnetic solid phase extraction (MSPE) have been widely applied in a variety of sample preparation techniques. Herein, FeO@pDA as the sorbents for MSPE, were developed for the determination of phenolic acids and flavonoids in fruit wine samples in co...
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