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MassImager:一款用于交互和深入分析质谱成像数据的软件。

MassImager: A software for interactive and in-depth analysis of mass spectrometry imaging data.

机构信息

State Key Laboratory of Bioactive Substance and Function of Natural Medicines, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China.

Chemmind Technologies Co., Ltd., Beijing 100085, China.

出版信息

Anal Chim Acta. 2018 Jul 26;1015:50-57. doi: 10.1016/j.aca.2018.02.030. Epub 2018 Feb 20.

Abstract

Mass spectrometry imaging (MSI) has become a powerful tool to probe molecule events in biological tissue. However, it is a widely held viewpoint that one of the biggest challenges is an easy-to-use data processing software for discovering the underlying biological information from complicated and huge MSI dataset. Here, a user-friendly and full-featured MSI software including three subsystems, Solution, Visualization and Intelligence, named MassImager, is developed focusing on interactive visualization, in-situ biomarker discovery and artificial intelligent pathological diagnosis. Simplified data preprocessing and high-throughput MSI data exchange, serialization jointly guarantee the quick reconstruction of ion image and rapid analysis of dozens of gigabytes datasets. It also offers diverse self-defined operations for visual processing, including multiple ion visualization, multiple channel superposition, image normalization, visual resolution enhancement and image filter. Regions-of-interest analysis can be performed precisely through the interactive visualization between the ion images and mass spectra, also the overlaid optical image guide, to directly find out the region-specific biomarkers. Moreover, automatic pattern recognition can be achieved immediately upon the supervised or unsupervised multivariate statistical modeling. Clear discrimination between cancer tissue and adjacent tissue within a MSI dataset can be seen in the generated pattern image, which shows great potential in visually in-situ biomarker discovery and artificial intelligent pathological diagnosis of cancer. All the features are integrated together in MassImager to provide a deep MSI processing solution at the in-situ metabolomics level for biomarker discovery and future clinical pathological diagnosis.

摘要

质谱成像(MSI)已成为探测生物组织中分子事件的有力工具。然而,人们普遍认为,最大的挑战之一是开发一种易于使用的数据处理软件,以便从复杂而庞大的 MSI 数据集发现潜在的生物学信息。在这里,我们专注于交互式可视化、原位生物标志物发现和人工智能病理诊断,开发了一个用户友好且功能齐全的 MSI 软件,包括 Solution、Visualization 和 Intelligence 三个子系统,命名为 MassImager。简化的数据预处理和高通量 MSI 数据交换、序列化共同保证了离子图像的快速重建和数十千兆字节数据集的快速分析。它还提供了多种自定义的可视化处理操作,包括多个离子可视化、多个通道叠加、图像归一化、可视化分辨率增强和图像滤波。通过离子图像和质谱之间的交互可视化,以及叠加的光学图像引导,可以精确地进行感兴趣区域分析,直接找出特定区域的生物标志物。此外,通过有监督或无监督的多元统计建模,可以立即实现自动模式识别。在生成的模式图像中,可以清楚地区分 MSI 数据集中的癌症组织和相邻组织,这表明其在可视化原位生物标志物发现和癌症人工智能病理诊断方面具有很大的潜力。所有功能都集成在 MassImager 中,为原位代谢组学水平的生物标志物发现和未来的临床病理诊断提供了深入的 MSI 处理解决方案。

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