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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.
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http://dx.doi.org/10.3724/SP.J.1123.2023.10035 | DOI Listing |
J Proteome Res
September 2025
Department of Pharmaceutics, School of Pharmacy, University of Washington, Seattle, Washington 98195, United States.
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 PDFMetab 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 PDFLangmuir
September 2025
Department of Materials Science and Engineering, Drexel University, Philadelphia, Pennsylvania 19104, United States.
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 PDFJ 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 PDFJ 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.
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