工作流程
可视化
代谢组学
软件
计算机科学
数据挖掘
计算生物学
化学
数据科学
数据库
色谱法
生物
程序设计语言
作者
Siwei Bi,Manjiangcuo Wang,Qianlun Pu,Jinxi Yang,Na Jiang,Xueshan Zhao,Siyuan Qiu,Ruiqi Liu,Renjie Xu,Xia Li,Chenggong Hu,Lie Yang,Jun Gu,Dan Du
标识
DOI:10.1021/acs.analchem.3c04192
摘要
Mass spectrometry imaging (MSI) has emerged as a revolutionary analytical strategy in biomedical research for molecular visualization. By linking the characterization of functional metabolites with tissue architecture, it is now possible to reveal unknown biological functions of tissues. However, due to the complexity and high dimensionality of MSI data, mining bioinformatics-related peaks from batch MSI data sets and achieving complete spatially resolved metabolomics analysis remain a great challenge. Here, we propose novel MSI data processing software, Multi-MSIProcessor (MMP), which integrates the data read-in, MSI visualization, processed data preservation, and biomarker discovery functions. The MMP focuses on the AFADESI-MSI data platform but also supports mzXML and imzmL data input formats for compatibility with data generated by other MSI platforms such as MALDI/SIMS-MSI. MMP enables deep mining of batch MSI data and has flexible adaptability with the source code opened that welcomes new functions and personalized analysis strategies. Using multiple clinical biosamples with complex heterogeneity, we demonstrated that MMP can rapidly establish complete MSI analysis workflows, assess batch sample data quality, screen and annotate differential MS peaks, and obtain abnormal metabolic pathways. MMP provides a novel platform for spatial metabolomics analysis of multiple samples that could meet the diverse analysis requirements of scholars.
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