[Research progress of deep learning applications in mass spectrometry imaging data analysis].

Se Pu

CAS Key Laboratory of Separation Science for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Liaoning Province Key Laboratory of Metabolomics, Dalian 116023, China.

Published: July 2024


Category Ranking

98%

Total Visits

921

Avg Visit Duration

2 minutes

Citations

20

Article Abstract

Mass spectrometry imaging (MSI) is a promising method for characterizing the spatial distribution of compounds. Given the diversified development of acquisition methods and continuous improvements in the sensitivity of this technology, both the total amount of generated data and complexity of analysis have exponentially increased, rendering increasing challenges of data postprocessing, such as large amounts of noise, background signal interferences, as well as image registration deviations caused by sample position changes and scan deviations, and etc. Deep learning (DL) is a powerful tool widely used in data analysis and image reconstruction. This tool enables the automatic feature extraction of data by building and training a neural network model, and achieves comprehensive and in-depth analysis of target data through transfer learning, which has great potential for MSI data analysis. This paper reviews the current research status, application progress and challenges of DL in MSI data analysis, focusing on four core stages: data preprocessing, image reconstruction, cluster analysis, and multimodal fusion. The application of a combination of DL and mass spectrometry imaging in the study of tumor diagnosis and subtype classification is also illustrated. This review also discusses trends of development in the future, aiming to promote a better combination of artificial intelligence and mass spectrometry technology.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11224939PMC
http://dx.doi.org/10.3724/SP.J.1123.2023.10035DOI Listing

Publication Analysis

Top Keywords

mass spectrometry
16
spectrometry imaging
12
data analysis
12
data
9
deep learning
8
image reconstruction
8
msi data
8
analysis
6
[research progress
4
progress deep
4

Similar Publications

Retinol binding protein 4 (RBP4), the circulating carrier of retinol, complexes with transthyretin (TTR) and is a potential biomarker of cardiometabolic disease. However, RBP4 quantitation relies on immunoassays and Western blots without retinol and TTR measurement. A liquid chromatography-tandem mass spectrometry (LC-MS/MS) method for the simultaneous absolute quantitation of circulating RBP4 and TTR is critical to establishing their biomarker potential.

View Article and Find Full Text PDF

Transformations in plasma metabolic profiles of patients with major depression disorder during treatment.

Metab Brain Dis

September 2025

Department of Pharmacy, Union Hospital, Tongji Medical College, Huazhong University of Science and Technology, No. 1277, Jiefang Avenue, Wuhan, Hubei, 430022, China.

Major depression disorder (MDD) is a mental condition that significantly threatens both physical and psychological health. This study aimed to discern variances in plasma metabolic profiles between MDD sufferers and healthy counterparts. Additionally, we tracked the hospitalization journey of MDD patients to investigate the normalization of metabolic irregularities through conventional treatment in the form of self-control.

View Article and Find Full Text PDF

The surfaces of 1D layered lepidocrocite-structured titanates (1DLs) are negatively charged due to an oxygen-to-titanium atomic ratio >2. This, and their layered structure, allow for facile ion exchange and high colloidal stability, demonstrated by ζ-potentials of ≈ -85 mV at their unadjusted pH of ≈10.4.

View Article and Find Full Text PDF

Rational Hapten Design for the Immunochromatographic Assay of Yohimbine, an Emerging Adulterant in Food.

J Agric Food Chem

September 2025

Guangdong Provincial Key Laboratory of Food Quality and Safety/Nation-Local Joint Engineering Research Center for Machining and Safety of Livestock and Poultry Products, South China Agricultural University, Guangzhou 510642, China.

Adulterated yohimbine (YHB) in food poses a risk to public health, making it imperative to develop fast and sensitive detection methods. In this study, computational-chemistry-based prediction was employed to design YHB haptens for generating the high-affinity monoclonal antibody Yohi-4A7, which exhibited an optimal half-inhibitory concentration (IC) of 1.69 ng/mL against YHB.

View Article and Find Full Text PDF

Sulfate Promotes Amine Salt Ozonation in Atmospheric Aerosols.

J Am Chem Soc

September 2025

Guangdong-Hong Kong-Macao Joint Laboratory for Contaminants Exposure and Health, Guangdong Key Laboratory of Environmental Catalysis and Health Risk Control, Institute of Environmental Health and Pollution Control, Guangdong University of Technology, Guangzhou 510006, China.

Low molecular weight amines promote sulfate (SO and HSO) formation through acid-base reactions, contributing to fine particulate matter (PM). Heterogeneous ozonation converts nontoxic amine salts into highly toxic products, yet the ozonation activation mechanism is unclear. This work reveals a sulfate-dominant ozonation mechanism of amine salts in fine PM by combining advanced mass spectrometry and ab initio calculation methods.

View Article and Find Full Text PDF