ArticleAnalytical chemistry2019
Anticancer Drug Affects Metabolomic Profiles in Multicellular Spheroids: Studies Using Mass Spectrometry Imaging Combined with Machine Learning.
Article in Analytical chemistry, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 20 papers.
What it found
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The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
20 citing papers in PubMed, 41 citations in OpenAlex.
- Ambient high-spatial-resolution mass spectrometry imaging: recent advances in technologies and metabolomics studies.Trends in analytical chemistry : TRAC · 2026Article
- Achieving Single-Cell Resolution via Desorption Electrospray Ionization Mass Spectrometry Imaging (DESI-MSI) on Different Platforms.Analytical chemistry · 2026Article
- AI-integrated microfluidics for drug screening: From single cell to organ-on-a-chip.Acta pharmaceutica Sinica. B · 2026Review
- Direct transfer of multicellular tumor spheroids grown in agarose microarrays for high-throughput mass spectrometry imaging analysis.Analytical and bioanalytical chemistry · 2025Article
- Exploring Single-Probe Single-Cell Mass Spectrometry: Current Trends and Future Directions.Analytical chemistry · 2025Review
- Updated Progress on Mass Spectrometry Imaging and its Application in Cancer Treatment and Drug Discovery.Recent patents on anti-cancer drug discovery · 2025Review
- MetaPhenotype: A Transferable Meta-Learning Model for Single-Cell Mass Spectrometry-Based Cell Phenotype Prediction Using Limited Number of Cells.Analytical chemistry · 2024Article
- Integrated spatial metabolomics and transcriptomics decipher the hepatoprotection mechanisms of wedelolactone and demethylwedelolactone on non-alcoholic fatty liver disease.Journal of pharmaceutical analysis · 2024Article
- Emerging Computational Methods in Mass Spectrometry Imaging.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2022Review
- Single-Cell Mass Spectrometry Enables Insight into Heterogeneity in Infectious Disease.Analytical chemistry · 2022Article
- Metabolomics studies of cell-cell interactions using single cell mass spectrometry combined with fluorescence microscopy.Chemical science · 2022Article
- Single cell mass spectrometry studies reveal metabolomic features and potential mechanisms of drug-resistant cancer cell lines.Analytica chimica acta · 2022Article
- Extract Metabolomic Information from Mass Spectrometry Images Using Advanced Data Analysis.Methods in molecular biology (Clifton, N.J.) · 2022Article
- The emergence of imaging mass spectrometry in drug discovery and development: Making a difference by driving decision making.Journal of mass spectrometry : JMS · 2021Article
- How to Apply Supervised Machine Learning Tools to MS Imaging Files: Case Study with Cancer Spheroids Undergoing Treatment with the Monoclonal Antibody Cetuximab.Journal of the American Society for Mass Spectrometry · 2020Article
- Three-Dimensional Imaging with Infrared Matrix-Assisted Laser Desorption Electrospray Ionization Mass Spectrometry.Journal of the American Society for Mass Spectrometry · 2020Article
- Towards early monitoring of chemotherapy-induced drug resistance based on single cell metabolomics: Combining single-probe mass spectrometry with machine learning.Analytica chimica acta · 2019Article
- Developing a Drug Screening Platform: MALDI-Mass Spectrometry Imaging of Paper-Based Cultures.Analytical chemistry · 2019Article
- Redesigning the T-probe for mass spectrometry analysis of online lysis of non-adherent single cells.Analytica chimica acta · 2019Article
- Multimodal Imaging of Amyloid Plaques: Fusion of the Single-Probe Mass Spectrometry Image and Fluorescence Microscopy Image.Analytical chemistry · 2019Article
Corrections and comments
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Authors and funding
4 authors at 1 institution in 1 country.
Funding
Abstract
Multicellular spheroids (hereinafter referred to as spheroids) are 3D biological models. The metabolomic profiles inside spheroids provide crucial information reflecting the molecular phenotypes and microenvironment of cells. To study the influence of an anticancer drug on the spatially resolved metabolites, spheroids were cultured using HCT-116 colorectal cancer cells, treated with the anticancer drug Irinotecan under a series of time- and concentration-dependent conditions. The Single-probe mass spectrometry imaging (MSI) technique was utilized to conduct the experiments. The MSI data were analyzed using advanced data analysis methods to efficiently extract metabolomic information. Multivariate curve resolution alternating least square (MCR-ALS) was used to decompose each MS image into different components with grouped species. To improve the efficiency of data analysis, both supervised (Random Forest) and unsupervised (cluster large applications (CLARA)) machine learning (ML) methods were employed to cluster MS images according to their metabolomic features. Our results indicate that anticancer drug significantly affected the abundances of a variety of metabolites in different regions of spheroids. This integrated experiment and data analysis approach can facilitate the studies of metabolites in different types of 3D tumor models and tissues and potentially benefit the drug discovery, therapeutic resistance, and other biological research fields.
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Registered trials
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