AIMC Topic: Mass Spectrometry

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Integrative proteomic profiling of tumor and plasma extracellular vesicles identifies a diagnostic biomarker panel for colorectal cancer.

Cell reports. Medicine
The lack of reliable non-invasive biomarkers for early colorectal cancer (CRC) diagnosis underscores the need for improved diagnostic tools. Extracellular vesicles (EVs) have emerged as promising candidates for liquid-biopsy-based cancer monitoring. ...

Quantitative non-volatile sensometabolome of Longjing tea and discrimination of taste quality by sensory analysis, large-scale quantitative metabolomics and machine learning.

Food chemistry
Study on quantitative non-volatile sensometabolome of Longjing tea remains lacked. Herein, the taste and molecular features of 42 Longjing tea samples were analyzed by sensory quantitative analysis and quantitative metabolomics. A comprehensive lands...

Unveiling mitochondrial-targeting compounds in Qishenyiqi dropping pills for heart failure treatment: An integrative UHPLC-QTOF MS and high-content imaging strategy.

Journal of pharmaceutical and biomedical analysis
Mitochondrial dysfunction, a central pathogenic driver of heart failure (HF), underscores the therapeutic imperative to preserve mitochondrial homeostasis. Qishenyiqi dropping pills (QSYQ), a clinically validated traditional Chinese formulation, exhi...

Bioanalysis of antihypertensive drugs by LC-MS: a fleeting look at the regulatory guidelines and artificial intelligence.

Bioanalysis
Hypertension is a multifaceted cardiovascular disease, a significant risk factor for stroke, heart attack, heart failure, and renal damage. An essential phase in the drug development process is the exploration of effective bioanalytical approaches to...

SagMSI: A graph convolutional network framework for precise spatial segmentation in mass spectrometry imaging.

Analytica chimica acta
BACKGROUND: Mass Spectrometry Imaging (MSI) is a label-free imaging technique used in spatial metabolomics to explore the distribution of various metabolites within biological tissues. Spatial segmentation plays a crucial role in the biochemical inte...

Integrating mass defect filtering and targeted molecular networking for foodomics research: A case study of Magnolia officinalis cortex.

Food research international (Ottawa, Ont.)
Mass spectrometry (MS)-based foodomics is widely used to tackle complex challenges in food science, although its effectiveness is often hampered by extensive data redundancy. To address this limitation, a novel MS-based foodomics strategy, integratin...

Peptide Property Prediction for Mass Spectrometry Using AI: An Introduction to State of the Art Models.

Proteomics
This review explores state of the art machine learning and deep learning models for peptide property prediction in mass spectrometry-based proteomics, including, but not limited to, models for predicting digestibility, retention time, charge state di...

Prioritization strategies for non-target screening in environmental samples by chromatography - High-resolution mass spectrometry: A tutorial.

Journal of chromatography. A
Non-target screening (NTS) using chromatography coupled to high-resolution mass spectrometry (HRMS), has become fundamental for detecting and prioritizing chemicals of emerging concern (CECs) in complex environmental matrices. The vast number of gene...

FACT: foundation model for assessing cancer tissue margins with mass spectrometry.

International journal of computer assisted radiology and surgery
PURPOSE: Accurately classifying tissue margins during cancer surgeries is crucial for ensuring complete tumor removal. Rapid Evaporative Ionization Mass Spectrometry (REIMS), a tool for real-time intraoperative margin assessment, generates spectra th...

Imaging and spatially resolved mass spectrometry applications in nephrology.

Nature reviews. Nephrology
The application of spatially resolved mass spectrometry (MS) and MS imaging approaches for studying biomolecular processes in the kidney is rapidly growing. These powerful methods, which enable label-free and multiplexed detection of many molecular c...