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Anal Chem. 2024 Dec 10;96(49):19238-19247. doi: 10.1021/acs.analchem.4c02038. Epub 2024 Nov 21.
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本文引用的文献

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Single Cell mass spectrometry: Towards quantification of small molecules in individual cells.单细胞质谱分析:迈向单个细胞中小分子的定量分析。
Trends Analyt Chem. 2024 May;174. doi: 10.1016/j.trac.2024.117657. Epub 2024 Mar 19.
2
MassLite: An integrated python platform for single cell mass spectrometry metabolomics data pretreatment with graphical user interface and advanced peak alignment method.MassLite:一个集成的 Python 平台,用于单细胞质谱代谢组学数据的预处理,具有图形用户界面和先进的峰对齐方法。
Anal Chim Acta. 2024 Oct 9;1325:343124. doi: 10.1016/j.aca.2024.343124. Epub 2024 Aug 20.
3
Comparative metabolite profiling of a metastatic and primary melanoma cell line using untargeted metabolomics: A case study.使用非靶向代谢组学对转移性和原发性黑色素瘤细胞系进行比较代谢物谱分析:一项案例研究。
Clin Mass Spectrom. 2018 Aug 3;10:16-24. doi: 10.1016/j.clinms.2018.08.001. eCollection 2018 Dec.
4
Web-based multi-omics integration using the Analyst software suite.基于网络的多组学整合使用 Analyst 软件套件。
Nat Protoc. 2024 May;19(5):1467-1497. doi: 10.1038/s41596-023-00950-4. Epub 2024 Feb 14.
5
Quantification of Nitric Oxide in Single Cells Using the Single-Probe Mass Spectrometry Technique.利用单探针质谱技术对单个细胞中的一氧化氮进行定量分析。
Anal Chem. 2023 Dec 26;95(51):18871-18879. doi: 10.1021/acs.analchem.3c04393. Epub 2023 Dec 13.
6
Phenotypic heterogeneity in human genetic diseases: ultrasensitivity-mediated threshold effects as a unifying molecular mechanism.人类遗传疾病中的表型异质性:超敏介导的阈效应作为统一的分子机制。
J Biomed Sci. 2023 Jul 31;30(1):58. doi: 10.1186/s12929-023-00959-7.
7
Quantifying Cell Heterogeneity and Subpopulations Using Single Cell Metabolomics.使用单细胞代谢组学定量细胞异质性和亚群。
Anal Chem. 2023 May 9;95(18):7127-7133. doi: 10.1021/acs.analchem.2c05245. Epub 2023 Apr 28.
8
Single-Cell Mass Spectrometry Enables Insight into Heterogeneity in Infectious Disease.单细胞质谱分析可深入了解传染病中的异质性。
Anal Chem. 2022 Aug 2;94(30):10567-10572. doi: 10.1021/acs.analchem.2c02279. Epub 2022 Jul 21.
9
Metabolomics studies of cell-cell interactions using single cell mass spectrometry combined with fluorescence microscopy.使用单细胞质谱联用荧光显微镜对细胞间相互作用进行代谢组学研究。
Chem Sci. 2022 May 16;13(22):6687-6695. doi: 10.1039/d2sc02298b. eCollection 2022 Jun 7.
10
Single cell mass spectrometry studies reveal metabolomic features and potential mechanisms of drug-resistant cancer cell lines.单细胞质谱研究揭示了耐药癌细胞系的代谢组学特征和潜在机制。
Anal Chim Acta. 2022 May 8;1206:339761. doi: 10.1016/j.aca.2022.339761. Epub 2022 Apr 1.

元表型:一种可转移的元学习模型,用于基于单细胞质谱法,利用有限数量的细胞进行细胞表型预测。

MetaPhenotype: A Transferable Meta-Learning Model for Single-Cell Mass Spectrometry-Based Cell Phenotype Prediction Using Limited Number of Cells.

作者信息

Yao Songyuan, Nguyen Tra D, Lan Yunpeng, Yang Wen, Chen Dan, Shao Yihan, Yang Zhibo

机构信息

Department of Chemistry and Biochemistry, University of Oklahoma, Norman, Oklahoma 73019, United States.

Stephenson School of Biomedical Engineering, University of Oklahoma, Norman, Oklahoma 73019, United States.

出版信息

Anal Chem. 2024 Dec 10;96(49):19238-19247. doi: 10.1021/acs.analchem.4c02038. Epub 2024 Nov 21.

DOI:10.1021/acs.analchem.4c02038
PMID:39570119
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11673283/
Abstract

Single-cell mass spectrometry (SCMS) is an emerging tool for studying cell heterogeneity according to variation of molecular species in single cells. Although it has become increasingly common to employ machine learning models in SCMS data analysis, such as the classification of cell phenotypes, the existing machine learning models often suffer from low adaptability and transferability. In addition, SCMS studies of rare cells can be restricted by limited number of cell samples. To overcome these limitations, we performed SCMS analyses of melanoma cancer cell lines with two phenotypes (i.e., primary and metastatic cells). We then developed a meta-learning-based model, MetaPhenotype, that can be trained using a small amount of SCMS data to accurately classify cells into primary or metastatic phenotypes. Our results show that compared with standard transfer learning models, MetaPhenotype can rapidly predict and achieve a high accuracy of over 90% with fewer new training samples. Overall, our work opens the possibility of accurate cell phenotype classification based on fewer SCMS samples, thus lowering the demand for sample acquisition.

摘要

单细胞质谱分析(SCMS)是一种新兴的工具,用于根据单细胞中分子种类的变化来研究细胞异质性。尽管在SCMS数据分析中使用机器学习模型(如细胞表型分类)已变得越来越普遍,但现有的机器学习模型往往适应性和可转移性较低。此外,对稀有细胞的SCMS研究可能会受到细胞样本数量有限的限制。为了克服这些限制,我们对具有两种表型(即原发性和转移性细胞)的黑色素瘤癌细胞系进行了SCMS分析。然后,我们开发了一种基于元学习的模型MetaPhenotype,该模型可以使用少量的SCMS数据进行训练,以将细胞准确分类为原发性或转移性表型。我们的结果表明,与标准迁移学习模型相比,MetaPhenotype可以快速预测并在使用更少的新训练样本的情况下实现超过90%的高精度。总体而言,我们的工作开启了基于更少的SCMS样本进行准确细胞表型分类的可能性,从而降低了对样本采集的需求。