Multi-target optimization of solid phase microextraction to analyse key flavour compounds in wort and beer. (1st July 2020)

• Record Type: Journal Article
• Authors: Vieira, Ana C.; Pereira, Ana C.; Marques, José C.; Reis, Marco S.
• Is Part Of: Food chemistry. Volume 317(2020)
• Publication Date: 2020-07-01
• Subjects: Optimization of analytical processes -- Design of experiments -- HS-SPME -- Wort and beer -- Flavour -- Principal Component Analysis -- Definitive Screening Designs; Food -- Analysis -- Periodicals; Food -- Composition -- Periodicals; 664
• DOI: 10.1016/j.foodchem.2020.126466
• Languages: English
• ISSNs: 0308-8146

Abstract

Highlights: Adoption of an optimal experimental design protocol to HS-SPME procedure. Multi-targeted and global methodologies for establishing the optimal conditions. Good results in terms of figures of merit of analytical methodology proposed. Volatile organic compounds quantification in fermenting wort and beer samples. Abstract: Despite the literature comprises numerous studies dealing with the analysis of wort and beer flavour-related compounds by HS-SPME followed by GC–MS quantification, no generalized consensus exists regarding the optimal conditions for the extraction procedure. The complex chemistry nature of these matrices, the number of analytes, as well as the number and interactions among parameters affecting the extraction performance, requires the adoption of optimal experimental design protocols. This aspect is often overlooked and often not properly addressed in practice. Therefore, in the present work, the optimal conditions under which a range of wort and beer analytes can be extracted and quantified were analysed. The optimal extraction conditions were presented at two levels of aggregation: global (untargeted) and key-flavour analysis. Experimental data was generated by Definitive-Screening-Design, followed by model development and optimization. Both approaches were compared and critically analysed. For vicinal-diketones group, a complete validation study for the optimal conditions is presented.