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Updated: Jul 10, 2026

Chromatographic Fingerprinting by Template Matching for Data Collected by Comprehensive Two-Dimensional Gas Chromatography
Published on: September 2, 2020
Chromatographic alignment combined with chemometrics profile reconstruction approaches applied to LC-MS data
C Paulus1, S Bonnet, L Gerfault
1CEA-LETI, MINATEC, Département des microTechnologies pour la Biologie et la Santé, CEA-Grenoble, 17 Rue des Martyrs, 38054 Grenoble Cedex 9, France.
Abstract:
This paper presents a full proteomics analysis LC-MS (Liquid Chromatography-Mass Spectrometry) chain combining bio, nano and information technologies in order to quantify targeted proteins in blood sample. The objective is to enable an early detection of pancreatic cancer. We focus on the data processing step which estimates the proteins' concentration. First, we pre-process the data in order to correct time shift between the experiments. We propose to use block matching algorithm. Second, quantification of protein is performed using chemometrics approaches and more precisely CLS, PLS, N-PLS and PARAFAC algorithms. Performances of the various methods have been compared on cytochrome c protein LC-MS analyses.
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