title: Quantitative analysis by comprehensive two-dimensional gas chromatography using interval Multi-way Partial Least Squares calibration.
abstract: A new approach for target quantitative analysis for comprehensive two-dimensional gas chromatography (GC × GC), interval Multi-way Partial Least Square (iNPLS) is presented and evaluated in this paper. In iNPLS, the two-dimensional chromatogram is split in small sections; each of these pieces is treated as an independent new chromatogram. Separated conventional NPLS calibration models for the concentration of the target analyte are built for each of the pieces of the whole chromatogram, and the best model is selected for quantitative analysis. An algorithm for iNPLS running on MatLab platform was written, preliminarily evaluated with using solutions of model compounds with different chemical properties and subsequently applied to quantify some allergens in perfume samples. The results were found to be adequate, and good precision and accuracy was obtained even for poorly resolved peaks.
authors.affiliation: Institute of Chemistry, State University of Campinas (Unicamp) and Instituto Nacional de Ciência e Tecnologia de Bioanalítica (INCTBio), CP 6154, 13084-971 Campinas, São Paulo, Brazil.
authors.forename: Luiz Antonio Fonseca
authors.initials: LA
authors.lastname: de Godoy
authors.forename: Marcio Pozzobon
authors.initials: MP
authors.lastname: Pedroso
authors.forename: Leandro Wang
authors.initials: LW
authors.lastname: Hantao
authors.forename: Ronei Jesus
authors.initials: RJ
authors.lastname: Poppi
authors.forename: Fabio
authors.initials: F
authors.lastname: Augusto
mesh_terms: D000465:Algorithms; D000485:Allergens / Q000032:analysis; D002138:Calibration; D002849:Chromatography, Gas / Q000379:methods*; D005240:Feasibility Studies; D016018:Least-Squares Analysis; D010476:Perfume / Q000737:chemistry; D013223:Statistics as Topic / Q000379:methods*
chemical_list: D000485:Allergens; D010476:Perfume