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Data Processing for 3D Mass Spectrometry Imaging
Authors:Xingchuang Xiong  Wei Xu  Livia S Eberlin  Justin M Wiseman  Xiang Fang  You Jiang  Zejian Huang  Yukui Zhang  R Graham Cooks  Zheng Ouyang
Institution:(1) School of Life Science, Beijing Institute of Technology, Beijing, China;(2) National Institute of Metrology Beijing, Beijing, China;(3) Weldon School of Biomedical Engineering, Purdue University, West Lafayette, IN, USA;(4) Department of Chemistry, Purdue University, West Lafayette, IN, USA;(5) Department of Chemistry and Chemical Biology, Indiana University-Purdue University Indianapolis, Indianapolis, IN, USA
Abstract:Data processing for three dimensional mass spectrometry (3D-MS) imaging was investigated, starting with a consideration of the challenges in its practical implementation using a series of sections of a tissue volume. The technical issues related to data reduction, 2D imaging data alignment, 3D visualization, and statistical data analysis were identified. Software solutions for these tasks were developed using functions in MATLAB. Peak detection and peak alignment were applied to reduce the data size, while retaining the mass accuracy. The main morphologic features of tissue sections were extracted using a classification method for data alignment. Data insertion was performed to construct a 3D data set with spectral information that can be used for generating 3D views and for data analysis. The imaging data previously obtained for a mouse brain using desorption electrospray ionization mass spectrometry (DESI-MS) imaging have been used to test and demonstrate the new methodology.
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