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For the first time, a multivariate approach combining targeted and untargeted data was used to obtain insight into quality changes in pasteurised mango juice (cv. ‘Totapuri’) as a function of storage (42 °C for 8 weeks). Mango juice samples were formulated with addition of different potential precursors for different quality-related chemical reactions: ascorbic acid, citric acid and sugars. Control (diluted mango puree with water), ascorbic acid-enriched (AA250 and AA500), citric acid-enriched (CA, CA + AA250 and CA + AA500) and sugar-enriched (S) samples were characterised for a range of targeted quality parameters as well as for a volatile fingerprint (untargeted). Selection of shelf-life markers or quality parameters significantly changing during shelf-life was performed over all formulations as well as per mango juice formulation. Our study showed that a common trend over all formulations was observed for colour values (VID > │0.90│), while specific shelf-life markers were selected for each formulation. In acidified mango juice samples (CA, CA + AA250, CA + AA500), more terpene oxides were selected compared to other formulations. In ascorbic acid-enriched samples (AA250, AA500, CA + AA250, CA + AA500), furfural and ascorbic acid were significantly changing during shelf-life. It seems that the reaction pathways for compounds being formed or degraded upon shelf-life are clearly affected by the acidity level. publisher: Elsevier articletitle: Quality changes of pasteurised mango juice during storage. Part I: Selecting shelf-life markers by integration of a targeted and untargeted multivariate approach journaltitle: Food Research International articlelink: http://dx.doi.org/10.1016/j.foodres.2015.09.002 content_type: article copyright: Copyright © 2015 Elsevier Ltd. All rights reserved. ispartof: Food Research International vol:78 pages:396-409 ispartof: location:Canada status: published

The present work shows the potential of the integrated fingerprinting-kinetics approach in evaluating shelf-life changes of pasteurised mango juice (cv. ‘Totapuri’). Seven mango juice formulations (i.e. control (mango puree and water), ascorbic acid-enriched (AA250 and AA500), citric acid-enriched (CA, CA + AA250 and CA + AA500) and sugar-enriched (S) samples) were pasteurised and stored at 42 °C for 8 weeks. In this part, the kinetics of the shelf-life markers selected from the multivariate fingerprinting approach was modelled. Changes in selected targeted parameters could be best described by a zero-order (colour values, °Brix, furfural, HMF), a first-order (ascorbic acid), a fractional conversion (fructose, glucose, oxygen) and a second-order model (sucrose). Differences in the rate constant were observed, with faster ascorbic acid degradation and furfural formation in AA-enriched samples and faster hydrolysis of sugars and HMF formation in CA-enriched samples compared to control samples. To describe changes in selected volatiles (terpenes, sulphur compounds, acids, ketones and esters), different kinetic models were selected. Two trends were observed: changes as affected by different mango juice formulations (e.g., faster reaction in CA-enriched samples or in a lower pH condition) and changes irrespective of the formulations. Referring to the literature, in general, acid-catalysed reactions, ascorbic acid degradation and oxidation reactions are the main reactions responsible for the observed quality changes in stored mango juice.