Interpolation of Imaging Mass Spectrometry Data by a Window-Based Adversarial Autoencoder Method.

IF 3.1 2区 化学 Q2 BIOCHEMICAL RESEARCH METHODS Journal of the American Society for Mass Spectrometry Pub Date : 2025-01-01 Epub Date: 2024-12-17 DOI:10.1021/jasms.4c00372
Lili Xu, Qing Zhai, Ariful Islam, Takumi Sakamoto, Chi Zhang, Shuhei Aramaki, Tomohito Sato, Ikuko Yao, Tomoaki Kahyo, Mitsutoshi Setou
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Abstract

Imaging mass spectrometry (IMS) is a technique for simultaneously acquiring the expression and distribution of molecules on the surface of a sample, and it plays a crucial role in spatial omics research. In IMS, the time cost and instrument load required for large data sets must be considered, as IMS typically involves tens of thousands of pixels or more. In this study, we developed a high-resolution method for IMS data reconstruction using a window-based Adversarial Autoencoder (AAE) method. We acquired IMS data from partial cerebellum regions of mice with a pitch size of 75 μm and then down-sampled the data to a pitch size of 150 μm, selecting 22 m/z peak intensity values per pixel. We established an AAE model to generate three pixels from the surrounding nine pixels within a window to reconstruct the image data at a pitch size of 75 μm. Compared with two alternative interpolation methods, Bilinear and Bicubic interpolation, our window-based AAE model demonstrated superior performance on image evaluation metrics for the validation data sets. A similar model was constructed for larger mouse kidney tissues, where the AAE model achieved high image evaluation metrics. Our method is expected to be valuable for IMS measurements of large animal organs across extensive areas.

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基于窗口的对抗性自编码器成像质谱数据插值方法。
成像质谱(IMS)是一种同时获取样品表面分子表达和分布的技术,在空间组学研究中起着至关重要的作用。在IMS中,必须考虑大型数据集所需的时间成本和仪器负载,因为IMS通常涉及数万个像素或更多。在这项研究中,我们开发了一种基于窗口的对抗自编码器(AAE)方法用于IMS数据重建的高分辨率方法。我们从75 μm的小鼠小脑部分区域获取IMS数据,然后将数据降采样到150 μm的间距,选择22 m/z的峰值强度值每像素。我们建立了一个AAE模型,在一个窗口内从周围的9个像素生成3个像素,以重建75 μm间距的图像数据。与双线性插值和双三次插值两种插值方法相比,基于窗口的AAE模型在验证数据集的图像评价指标上表现出优越的性能。对较大的小鼠肾组织构建了类似的模型,其中AAE模型获得了较高的图像评价指标。我们的方法有望对大型动物器官在广泛地区的IMS测量有价值。
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来源期刊
CiteScore
5.50
自引率
9.40%
发文量
257
审稿时长
1 months
期刊介绍: The Journal of the American Society for Mass Spectrometry presents research papers covering all aspects of mass spectrometry, incorporating coverage of fields of scientific inquiry in which mass spectrometry can play a role. Comprehensive in scope, the journal publishes papers on both fundamentals and applications of mass spectrometry. Fundamental subjects include instrumentation principles, design, and demonstration, structures and chemical properties of gas-phase ions, studies of thermodynamic properties, ion spectroscopy, chemical kinetics, mechanisms of ionization, theories of ion fragmentation, cluster ions, and potential energy surfaces. In addition to full papers, the journal offers Communications, Application Notes, and Accounts and Perspectives
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