AIMC Topic: Spectrometry, Mass, Electrospray Ionization

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Discovering the metabolic pathway of liver disease by breath mass spectrometry combined with machine learning.

Journal of pharmaceutical and biomedical analysis
On account of the low concentration and complex background, most methods for detecting VOCs in exhaled breath samples required preconcentration prior to instrumental analysis. In the current study, a simple and rapid method is developed for analyzing...

A Novel Deep Siamese Convolution Network for Detecting Fentanyl Analogs From Mass Spectra.

Journal of mass spectrometry : JMS
Mortality rates have risen dramatically in recent years due to the misuse of fentanyl and its analogs. Due to the easy synthesis and rapid emergence of various fentanyl analogs, an accurate detection model is particularly desirable. The existing clas...

AI-powered insights into the UniSpray ionization in supercritical fluid chromatography-mass spectrometry.

Journal of chromatography. A
Selection of the optimal makeup solvent composition is critical for achieving sensitive and reproducible ionization in supercritical fluid chromatography-mass spectrometry (SFC-MS). This study investigated the ionization processes in a spray-based io...

A Spatial Metabolomics Annotation Workflow Leveraging Cyclic Ion Mobility and Machine Learning-Predicted Collision Cross Sections.

Journal of the American Society for Mass Spectrometry
In nontargeted spatial metabolomics, accurate annotation is crucial for understanding metabolites' biological roles and spatial patterns. MS mass spectrometry imaging (MSI) coverage is often incomplete or nonexistent, resulting in many unknown featur...

PESI-MS combined with AI to build a prediction model for lymph node metastasis of papillary thyroid cancer.

Pathology, research and practice
OBJECTIVE: Construct a prediction model for lymph node metastasis (LNM) in papillary thyroid carcinoma (PTC) using Probe Electrospray Ionization Mass Spectrometry (PESI - MS) combined with artificial intelligence (AI), to assist in the preoperative p...

Mapping the Edges of Mass Spectral Prediction: Evaluation of Machine Learning EIMS Prediction for Xeno Amino Acids.

Analytical chemistry
Mass spectrometry is one of the most effective analytical methods for unknown compound identification. By comparing observed / spectra with a database of experimentally determined spectra, this process identifies compound(s) in any given sample. Unkn...

Comparative study between UHPLC-UV and UPLC-MS/MS methods for determination of alogliptin and metformin in their pharmaceutical combination.

Die Pharmazie
A new UPLC-MS/MS method (method A), for simultaneous determination of alogliptin (ALN) and metformin (MET) in their recently approved pharmaceutical combination Kazano® tablets, was developed and compared to a new UHPLC-UV method (method B). Concerni...

[Fragments Woven into a Whole: A New Approach to the Diagnosis of Cancer through Mass Spectrometry and Machine-Learning].

Rinsho byori. The Japanese journal of clinical pathology
Conventionally, a definitive diagnosis of cancer is derived from histopathological diagnostics based on morphological criteria that are difficult to standardize on a quantifiable basis. On the other hand, while molecular tumor markers and blood bioch...