Correlating Comprehensive Two-dimensional Gas Chromatography Volatile Profiles of Chocolate with Sensory Analysis

Author(s)

Fontes de Oliveira, Luciana ^[1] ; Gonzaga Neves Braga, Soraia Cristina ^[2] ; Augusto, Fabio ^{[3, 4]} ; Poppi, Ronei Jesus ^{[3, 4]}

Affiliation

^[1] Inst Bioengn Catalonia IBEC, Signal & Informat Proc Sensing Syst Grp, Baldiri Reixac 10-12, Barcelona 08028 - Spain

^[2] Inst Fed Educ Glenda & Tecnol Espirito Santo IFES, Rodovia BR-262, BR-29134400 Viana, ES - Brazil

^[3] Univ Estadual Campinas, UNICAMP, Inst Quim, CP 6154, BR-13083970 Campinas, SP - Brazil

^[4] Univ Estadual Campinas, Unicamp, Inst Nacl Ciencia & Tecnol Bioanalit INCTBio, CP 6154, BR-13083970 Campinas, SP - Brazil

• Document type: Journal article
• Source: BRAZILIAN JOURNAL OF ANALYTICAL CHEMISTRY; v. 8, n. 32, p. 131-140, JUL-SEP 2021.
• Web of Science Citations: 0

Abstract

The identification of key components relevant to sensory perception of quality from commercial chocolate samples was accomplished after chemometric processing of GCxGC-MS (Comprehensive Two-dimensional Gas Chromatography with Mass Spectrometric Detection) profiles corresponding to HS-SPME (Headspace Solid Phase Microextraction) extracts of the samples. Descriptive sensory evaluation of samples was carried out using Optimized Descriptive Profile (ODP) procedures, where sensory attributes of 24 commercial chocolate samples were used to classify them in two classes (low and high chocolate flavor). 2D Fisher Ratio analysis was applied to four-way chromatographic data tensors (1st dimension retention time (1)t(R) x 2nd dimension retention time (2)t(R) x m/z x sample), to identify the crucial areas on the chromatograms that resulted on ODP class separation on Principal Component Analysis (PCA) scores plot. Comparing the relevant sections of the chromatograms to the analysis of the corresponding mass spectra, it was possible to assess that most of the information regarding the sample main sensory attributes can be related to only 14 compounds (2,5-dimethylpyrazine, 2,6-dimethyl-4-heptanol, 1-octen-3-ol, trimethylpyrazine, beta-pinene, o-cimene, 2-ethyl-3,5-dimethylpyrazine, tetramethylpyrazine, benzaldehyde, 1,3,5-trimethylbenzene, 6-methyl-5-hepten-2-one, limonene, benzeneethanol and 1,1-dimethylbutylbenzene) among the complex blend of volatiles found on these extremely complex samples. (AU)

• FAPESP's process: 12/14695-8 - Utilization of chemometric methods in comprehensive two-dimensional gas chromatography for evaluate cocoa, its derivatives and carob
• Grantee: Luciana Fontes de Oliveira
• Support Opportunities: Scholarships in Brazil - Doctorate
• FAPESP's process: 14/50867-3 - INCT 2014: National Institute of Science and Technology in Bioanalysis
• Grantee: Marco Aurelio Zezzi Arruda
• Support Opportunities: Research Projects - Thematic Grants