Citation: ZHANG Shurong, WU Hailong, ZHAI Min, KANG Chao, YIN Xiaoli, YU Ruqin. Comparison for applicability of different trilinear decomposition algorithms to liquid chromatography-mass spectrometry data measured from multiple samples[J]. Chinese Journal of Chromatography, ;2013, 31(6): 550-555. doi: 10.3724/SP.J.1123.2013.03051 shu

Comparison for applicability of different trilinear decomposition algorithms to liquid chromatography-mass spectrometry data measured from multiple samples

1.
State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082, China

Corresponding author: WU Hailong, YU Ruqin,
Received Date: 28 March 2013
Available Online: 25 April 2013
Fund Project: 国家自然科学基金项目(21175041) (21175041)国家科技部"973"计划课题(2012CB910602) (2012CB910602)国家自然科学基金创新研究群体科学基金项目(21221003). (21221003)

The applicability of different trilinear decomposition algorithm to LC-MS data measured from multiple samples is discussed in this paper. An actual LC-MS data set contained a low abundance peptide was adopted to make a test for these algorithms. The bilinear method was not able to handle this type of low abundance situations, and made a mathematical separation as expected. It is found out that the famous trilinear decomposition algorithm could not be used in the LC-MS data directly. The most probable reason is the sparsity property of the pure MS spectra, which means they have positive response values at some m/z coordinates where the ions emerged and zero values elsewhere. A novel algorithm named NNATLD (non-negative alternating trilinear decomposition) has been designed by the present authors to make an effective trilinear decomposition for the three-way data set constructed by LC-MS data. The new algorithm adapts the property of MS spectra, saves the computing resources, and converges fast.
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沈阳化工大学材料科学与工程学院沈阳 110142