Chemometric methods applied in comprehensive two-dimensional gas chromatography of chocolates

• Grant number: 14/24724-0
• Support Opportunities: Scholarships abroad - Research Internship - Doctorate
• Start date: April 07, 2015
• End date: October 06, 2015
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Analytical Chemistry
• Principal Investigator: Ronei Jesus Poppi
• Grantee: Luciana Fontes de Oliveira
• Supervisor: Thomas Hjort Skov
• Host Institution: Instituto de Química (IQ). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
• Institution abroad: University of Copenhagen, Copenhagen, Denmark
• Associated to the scholarship: 12/14695-8 - Utilization of chemometric methods in comprehensive two-dimensional gas chromatography for evaluate cocoa, its derivatives and carob, BP.DR

Abstract

This project deal with the use of chemometric methods for comprehensive two-dimensional gas chromatography with solid phase microextraction of chocolates samples. In a first study, it is intended to perform a comparison between the volatile fraction of chocolates made from cocoa and carob. The comparison will be performed by a pixel-based methodology, where the detector intensities of the retention times for both columns (1tR, 2tR) are represented by a pixel in a color plot and the data analysis can be analyzed without integration or peak deconvolution. However, it is necessary to do proper processing of the data set for non-sample variation correction in the chromatograms (retention time shifts and background). In a second study, multivariate regression methods will be applied in a data set already obtained, to correlate the GCxGC-QMS of commercial chocolates from different origins and the sensorial analysis. It is believed that the results of this project provide support to increase the knowledge in chemometrics methods that can be used to pattern recognition and regression problems in GCxGC-QMS. (AU)