AIMC Topic: Spectrometry, Mass, Electrospray Ionization

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Applications of Machine Learning to In Silico Quantification of Chemicals without Analytical Standards.

Journal of chemical information and modeling
Non-targeted analysis provides a comprehensive approach to analyze environmental and biological samples for nearly all chemicals present. One of the main shortcomings of current analytical methods and workflows is that they are unable to provide any ...

Predicting Breast Cancer by Paper Spray Ion Mobility Spectrometry Mass Spectrometry and Machine Learning.

Analytical chemistry
Paper spray ionization has been used as a fast sampling/ionization method for the direct mass spectrometric analysis of biological samples at ambient conditions. Here, we demonstrated that by utilizing paper spray ionization-mass spectrometry (PSI-MS...

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 ...

Trace, Machine Learning of Signal Images for Trace-Sensitive Mass Spectrometry: A Case Study from Single-Cell Metabolomics.

Analytical chemistry
Recent developments in high-resolution mass spectrometry (HRMS) technology enabled ultrasensitive detection of proteins, peptides, and metabolites in limited amounts of samples, even single cells. However, extraction of trace-abundance signals from c...

Determination of Oleandrin in Blood and Liver Samples by LC-MS/MS.

Fa yi xue za zhi
OBJECTIVES: To develop a liquid chromatography-tandem mass spectrometry (LC-MS/MS) analytical method for the determination of oleandrin in blood and liver tissues, which could be applied to the cases of death caused by oleander poisoning.

Glucose-holmium for radiotherapy: Characterization and in vitro assays.

Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine
BACKGROUND: The existence of saccharide-holmium complexes, containing mono or polysaccharide molecules, is an attractive hypothesis toward a radiation therapy (RT) with beta-emitters targeting high glucose metabolic human sites. To exam such hypothes...

Evaluation of an Artificial Neural Network Retention Index Model for Chemical Structure Identification in Nontargeted Metabolomics.

Analytical chemistry
Liquid chromatography coupled with electrospray ionization tandem mass spectrometry (LC-ESI-MS/MS) is a major analytical technique used for nontargeted identification of metabolites in biological fluids. Typically, in LC-ESI-MS/MS based database assi...

Combining Desorption Electrospray Ionization Mass Spectrometry Imaging and Machine Learning for Molecular Recognition of Myocardial Infarction.

Analytical chemistry
Lipid profile changes in heart muscle have been previously linked to cardiac ischemia and myocardial infarction, but the spatial distribution of lipids and metabolites in ischemic heart remains to be fully investigated. We performed desorption electr...

Detection of potential new biomarkers of atherosclerosis by probe electrospray ionization mass spectrometry.

Metabolomics : Official journal of the Metabolomic Society
INTRODUCTION: Atherosclerotic diseases are the leading cause of death worldwide. Biomarkers of atherosclerosis are required to monitor and prevent disease progression. While mass spectrometry is a promising technique to search for such biomarkers, it...