Exploring Chemical Markers Related to the Acceptance and Sensory Profiles of Concentrated Liquid Coffees: An Untargeted Metabolomics Approach

Foods

Julián Zapata¹  Mónica P. Cala²  Maria José Santander²  Sebastián Velásquez³  Mónica Quintero³ 

[1]Instituto de Química, Universidad de Antioquia, Medellín 050010, Colombia

[2]Metabolomics Core Facility—MetCore, Vice-Presidency for Research, Universidad de los Andes, Bogotá 110111, Colombia

[3]Research and Development Center—Colcafé S.A.S., Medellín 050024, Colombia

关键词: untargeted metabolomics;    concentrated liquid coffee;    sensory analysis;    high-performance liquid chromatography;    mass spectrometry;   

DOI  :  10.3390/foods11030473

来源: DOAJ

【 摘 要 】

In this study, we aimed to apply an untargeted LC/QTOF-MS analysis for the identification of compounds that positively and negatively affect the acceptance of coffee beverages from liquid coffee concentrates (CLCs) before and after storage. The metabolomic results were integrated with physicochemical and sensory parameters, such as color, pH, titratable acidity, and oxygen contents, by a bootstrapped version of partial least squares discriminant analysis (PLS-DA) to select and classify the most relevant variables regarding the rejection or acceptance of CLC beverages. The OPLS-DA models for metabolite selection discriminated between the percent sensory acceptance (the Accepted group) and rejection (the Rejected group). Eighty-two molecular features were considered statistically significant. Our data suggest that coffee sample rejection is associated with chlorogenic acid hydrolysis to produce ferulic and quinic acids, consequently generating methoxybenzaldehydes that impact the perceived acidity and aroma. Furthermore, acceptance was correlated with higher global scores and sweetness, as with lactones such as feruloyl-quinolactone, caffeoyl quinolactone, and 4-caffeoyl-1,5-quinolactone, and significant oxygen levels in the headspace.

【 授权许可】

Unknown