Chinese Journal of Chromatography ›› 2013, Vol. 31 ›› Issue (6): 550-555.DOI: 10.3724/SP.J.1123.2013.03051

• Quantitative Proteomics • Previous Articles     Next Articles

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

ZHANG Shurong, WU Hailong, ZHAI Min, KANG Chao, YIN Xiaoli, YU Ruqin   

  1. State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082, China
  • Received:2013-03-28 Revised:2013-04-25 Online:2013-06-28 Published:2013-06-06
  • Contact: 10.3724/SP.J.1123.2013.03051

Abstract:

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.

Key words: algorithm comparison, liquid chromatography-mass spectrometry (LC-MS), mathematical separation, multiple samples, non-negative alternating trilinear decomposition (NNATLD), quantitative proteomics, trilinear decomposition

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