AIMC Topic: Spectrometry, Mass, Electrospray Ionization

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Metabolic remodeling and its hidden heterogeneity in uterine fibroids: comprehensive metabolomic profiling and mass spectrometry imaging.

Metabolomics : Official journal of the Metabolomic Society
INTRODUCTION: As the most common benign gynecological tumor in women, uterine fibroids not only pose a serious threat to reproductive health but also directly impair fertility. The structural abnormalities of the uterus and metabolic disturbances the...

Non-invasive detection of choroidal melanoma via tear-derived protein corona on gold nanoparticles: a machine learning approach.

Scientific reports
This study investigates the feasibility of using tear sample analysis, based on protein corona formation on gold nanoparticles combined with electrospray ionization mass spectrometry (ESI-MS) and machine learning techniques, as a non-invasive approac...

MASSISTANT: A deep learning model for De Novo molecular structure prediction from EI‑MS spectra via SELFIES encoding.

Journal of chromatography. A
Gas chromatography coupled with electron impact mass spectrometry (GC‑EI‑MS) is a widely used analytical technique for identifying volatile and semi‑volatile compounds in applications ranging from pharmaceutical research to material science. However,...

Defining the biomarkers in anti-MRSA fractions of soil Streptomycetes by multivariate analysis.

Antonie van Leeuwenhoek
Methicillin-resistant Staphylococcus aureus (MRSA) is one of the most alarming antibiotic-resistant pathogens causing nosocomial and community-acquired infections. Actinomycetes, particularly Streptomycetes, have historically been a major source of n...

Optimization of polyphenols extraction by deep eutectic solvent from broccoli stem and characterization of their composition and antioxidative effects.

Scientific reports
Broccoli stem is known to possess abundant polyphenols. To efficiently extract polyphenols from broccoli stems, we herein describe an updated deep eutectic solvent extraction (DESE) method. Response surface modeling was utilized for optimization of t...

Rapid metabolic profiling and authentication of Cordyceps using ambient ionization mass spectrometry and machine learning.

Analytical and bioanalytical chemistry
Cordyceps sinensis, a symbiotic organism formed between a fungus and an insect, is celebrated for its substantial medicinal benefits and economic significance in traditional Chinese medicine. However, the market for Cordyceps sinensis is rife with co...

Toward Machine Learning Electrospray Ionization Sensitivity Prediction for Semiquantitative Lipidomics in Stem Cells.

Journal of chemical information and modeling
Specificity, sensitivity, and high metabolite coverage make mass spectrometry (MS) one of the most valuable tools in metabolomics and lipidomics. However, translation of metabolomics MS methods to multiyear studies conducted across multiple batches i...

Diagnostic Accuracy of Ambient Mass Spectrometry with Blood Plasma in a Murine Glioma Model Using Machine Learning.

World neurosurgery
OBJECTIVE: Malignant glioma progresses rapidly and shows poor prognosis, but clinically applicable blood plasma-based biochemical tumor markers remain lacking. This study aimed to develop a diagnostic system using probe electrospray ionization mass s...

Advanced Mass-Spectra-Based Machine Learning for Predicting the Toxicity of Traditional Chinese Medicines.

Analytical chemistry
Traditional Chinese medicine (TCM) has been a cornerstone of health care for centuries, valued for its preventive and therapeutic properties. However, recent decades have revealed significant toxicological concerns associated with TCMs due to their c...

Mass Spectrometry Imaging for Spatial Ingredient Classification in Plant-Based Food.

Journal of the American Society for Mass Spectrometry
Mass spectrometry imaging (MSI) techniques enable the generation of molecular maps from complex and heterogeneous matrices. A burger patty, whether plant-based or meat-based, represents one such complex matrix where studying the spatial distribution ...