Literature DB >> 16364334

Chemometric treatment of vanillin fingerprint chromatograms. Effect of different signal alignments on principal component analysis plots.

A M van Nederkassel1, C J Xu, P Lancelin, M Sarraf, D A Mackenzie, N J Walton, F Bensaid, M Lees, G J Martin, J R Desmurs, D L Massart, J Smeyers-Verbeke, Y Vander Heyden.   

Abstract

This study describes the chemometric treatment of vanillin fingerprint chromatograms to distinguish vanillin from different sources. Prior to principal component analysis, which is used to discriminate vanillin from different origins, the fingerprints are aligned. Three alignment algorithms are tested, correlation optimized warping (COW), target peak alignment (TPA) and semi-parametric time warping (STW). The performance of the three algorithms is evaluated and the effect of the different alignments on the PCA score plots is investigated. The alignment obtained with STW differs somewhat from that with COW and TPA. However, equivalent score plots were obtained regarding the different vanillin groups.

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Year:  2005        PMID: 16364334     DOI: 10.1016/j.chroma.2005.11.134

Source DB:  PubMed          Journal:  J Chromatogr A        ISSN: 0021-9673            Impact factor:   4.759


  3 in total

1.  SCFIA: a statistical corresponding feature identification algorithm for LC/MS.

Authors:  Jian Cui; Xuepo Ma; Long Chen; Jianqiu Zhang
Journal:  BMC Bioinformatics       Date:  2011-11-11       Impact factor: 3.169

2.  A matching algorithm with isotope distribution pattern in LC-MS based on support vector machine (SVM) learning model.

Authors:  Jian Cui; Qiang Chen; Xiaorui Dong; Kai Shang; Xin Qi; Hao Cui
Journal:  RSC Adv       Date:  2019-09-04       Impact factor: 4.036

3.  Data mining of plasma peptide chromatograms for biomarkers of air contaminant exposures.

Authors:  Subramanian Karthikeyan; Premkumari Kumarathasan; Renaud Vincent
Journal:  Proteome Sci       Date:  2008-01-30       Impact factor: 2.480

  3 in total

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