AIMC Topic: Tandem Mass Spectrometry

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UPLC-ESI-MS/MS based identification and antioxidant, antibacterial, cytotoxic activities of aqueous extracts from storey onion (Allium cepa L. var. proliferum Regel).

Food research international (Ottawa, Ont.)
Storey onion (Allium cepa L. var. proliferum Regel) is a variety of onion commonly grown in northern China that has not been researched in detail. This study aimed to identify the chemical compositions of storey onion aqueous extracts by UPLC-ESI-MS/...

MS2CNN: predicting MS/MS spectrum based on protein sequence using deep convolutional neural networks.

BMC genomics
BACKGROUND: Tandem mass spectrometry allows biologists to identify and quantify protein samples in the form of digested peptide sequences. When performing peptide identification, spectral library search is more sensitive than traditional database sea...

Multiple Compounds Recognition from The Tandem Mass Spectral Data Using Convolutional Neural Network.

Molecules (Basel, Switzerland)
Mixtures analysis can provide more information than individual components. It is important to detect the different compounds in the real complex samples. However, mixtures are often disturbed by impurities and noise to influence the accuracy. Purific...

On-site testing of multiple drugs of abuse in urine by a miniature dual-LIT mass spectrometer.

Analytica chimica acta
There is an increasing need for rapid and on-site detection of emerging drugs of abuse. In this work, we developed a method using a miniature dual-LIT (linear ion trap) mass spectrometer recently developed with comprehensive tandem mass spectrometry ...

Chestnut shells (Italian cultivar "Marrone di Roccadaspide" PGI): Antioxidant activity and chemical investigation with in depth LC-HRMS/MS rationalization of tannins.

Food research international (Ottawa, Ont.)
In Italy a particularly valuable chestnut is "Marrone di Roccadaspide", a protected geographical indication (PGI) product, deriving from a Castanea sativa cultivar, typical of Salerno province in Campania region. As chestnut industrial processes yiel...

Factor Xa inhibitors in clinical practice: Comparison of pharmacokinetic profiles.

Drug metabolism and pharmacokinetics
BACKGROUND: The anticoagulant actions of oral direct factor Xa (FXa) inhibitors can be inferred from their observed plasma concentrations; however, the steady-state pharmacokinetics (PK) of different FXa inhibitors have not been compared in clinicall...

HPLC-MS/MS method for the determination and pharmacokinetic study of six compounds against rheumatoid arthritis in rat plasma after oral administration of the extract of Caulophyllum robustum Maxim.

Journal of pharmaceutical and biomedical analysis
Caulophyllum robustum Maxim (CRM) is a well-known traditional Chinese medicine (TCM) mainly present in the northeast, northwest and southwest regions of China, which is belong to the family Berberidaceae. The roots and rhizomes of CRM have been used ...

Enhancement of multianalyte mass spectrometry detection through response surface optimization by least squares and artificial neural network modelling.

Journal of chromatography. A
In this work, the use of design of experiments and posterior data modelling by artificial neural network (ANN) and least squares (LS) is presented as a suitable analytical tool for the performance optimization of a tandem mass spectrometric detector ...

Uncovering Thousands of New Peptides with Sequence-Mask-Search Hybrid Peptide Sequencing Framework.

Molecular & cellular proteomics : MCP
Typical analyses of mass spectrometry data only identify amino acid sequences that exist in reference databases. This restricts the possibility of discovering new peptides such as those that contain uncharacterized mutations or originate from unexpec...

Fast and Accurate Bacterial Species Identification in Urine Specimens Using LC-MS/MS Mass Spectrometry and Machine Learning.

Molecular & cellular proteomics : MCP
Fast identification of microbial species in clinical samples is essential to provide an appropriate antibiotherapy to the patient and reduce the prescription of broad-spectrum antimicrobials leading to antibioresistances. MALDI-TOF-MS technology has ...