TY - JOUR AB - The composition of the juice from grape berries is at the basis of the definition of technological ripeness before harvest, historically evaluated from global sugar and acid contents. If many studies have contributed to the identification of other primary and secondary metabolites in whole berries, deepening knowledge about the chemical composition of the sole flesh of grape berries (i.e., without considering skins and seeds) at harvest is of primary interest when studying the enological potential of widespread grape varieties producing high-added-value wines. Here, we used non-targeted DI-FT-ICR-MS and RP-UHPLC-Q-ToF-MS analyses to explore the extent of metabolite coverage of up to 290 grape juices from four Vitis vinifera grape varieties, namely Chardonnay, Pinot noir, Meunier, and Aligoté, sampled at harvest from 91 vineyards in Europe and Argentina, over three successive vintages. SPE pretreatment of samples led to the identification of more than 4500 detected C,H,O,N,S-containing elemental compositions, likely associated with tens of thousands of distinct metabolites. We further revealed that a major part of this chemical diversity appears to be common to the different juices, as exemplified by Pinot noir and Chardonnay samples. However, it was possible to build significant models for the discrimination of Chardonnay from Pinot noir grape juices, and of Chardonnay from Aligoté grape juices, regardless of the geographical origin or the vintage. Therefore, this metabolomic approach opens access to a remarkable holistic molecular description of the instantaneous composition of such a biological matrix, which is the result of complex interplays among environmental, biochemical, and vine growing practices. AU - Nicolas, S.* AU - Bois, B.* AU - Billet, K.* AU - Romanet, R.* AU - Bahut, F.* AU - Uhl, J. AU - Schmitt-Kopplin, P. AU - Gougeon, R.D.* C1 - 69728 C2 - 53862 CY - St Alban-anlage 66, Ch-4052 Basel, Switzerland TI - High-resolution mass spectrometry-based metabolomics for increased grape juice metabolite coverage. JO - Foods VL - 13 IS - 1 PB - Mdpi PY - 2024 SN - 2304-8158 ER - TY - JOUR AB - The water-based extraction of bioactive components from flavonoid-rich medicinal plants is a key step that should be better investigated. This is especially true when dealing with easy-to-use home-made conditions of extractions, which are known to be a bottleneck in the course for a better control and optimization of the daily uptake of active components from medicinal plants. In this work, the water-based extraction of Blackcurrant (Ribes nigrum) leaves (BC) and Chrysanthellum americanum (CA), known to have complementary pharmacological properties, was studied and compared with a previous work performed on the extraction of Hawthorn (Crataegus, HAW). Various extraction modes in water (infusion, percolation, maceration, ultrasounds, microwaves) were compared for the extraction of bioactive principles contained in BC and CA in terms of extraction yield, of amount of flavonoids, phenolic compounds, and proanthocyanidin oligomers, and of UHPLC profiles of the extracted compounds. The qualitative and quantitative aspects of the extraction, in addition to the kinetic of extraction, were studied. The optimized easy-to-use-at-home extraction protocol developed for HAW was found very efficient to easily extract bioactive components from BC and CA plants. UHPLC-ESI-MS and high-resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) were also implemented to get more qualitative information on the specific and common chemical compositions of the three plants (including HAW). Their antihyaluronidase, antioxidant, and antihypertensive activities were also determined and compared, demonstrating similar activities as the reference compound for some of these plants. AU - Cao-Ngoc, P.* AU - Leclercq, L.* AU - Rossi, J.C.* AU - Hertzog, J. AU - Tixier, A.S.* AU - Chemat, F.* AU - Nasreddine, R.* AU - Banni, G.A.H.D.* AU - Nehme, R.* AU - Schmitt-Kopplin, P. AU - Cottet, H.* C1 - 60358 C2 - 49187 CY - St Alban-anlage 66, Ch-4052 Basel, Switzerland TI - Water-based extraction of bioactive principles from blackcurrant leaves and Chrysanthellum americanum: A comparative Study. JO - Foods VL - 9 IS - 10 PB - Mdpi PY - 2020 SN - 2304-8158 ER - TY - JOUR AB - Process control with high time resolution is essential to maintain high product quality in coffee roasting. However, analytical techniques for quality assurance or measurements of desired coffee properties are often labor-intensive and can only be conducted after dropping the coffee beans. Resonance-enhanced multi-photon ionization time-of-flight mass spectrometry (REMPI-TOFMS) at 248 nm and 266 nm was applied to analyze the composition of the roast gas from small-scale Arabica coffee roasting. Coffee beans were dropped after different roasting times, ground and analyzed by Colorette to obtain the roast degree. Additionally, the antioxidant capacity of the coffee brew was determined by Folin-Ciocalteu (FC) assay. Models for the prediction of Colorette and FC values from REMPI mass spectra were constructed by partial least squares (PLS) regression. REMPI-TOFMS enables the prediction of Colorette values with a root-mean-square error in prediction (RMSEP) below 5 for both wavelengths. FC values could be predicted using REMPI at 248 nm with an RMSE(P)of 80.3 gallic acid equivalents (GA-eq) mg L-1, while REMPI at 266 nm resulted in RMSE(P)of 151 GA-eq mg L-1. Finally, the prediction of Colorette and FC value at 5 s time resolution were demonstrated with online measurements. AU - Czech, H. AU - Heide, J.* AU - Ehlert, S.* AU - Koziorowski, T.* AU - Zimmermann, R. C1 - 59160 C2 - 48636 CY - St Alban-anlage 66, Ch-4052 Basel, Switzerland TI - Smart online coffee roasting process control: Modelling coffee roast degree and brew antioxidant capacity for real-time prediction by resonance-enhanced multi-photon ionization mass spectrometric (REMPI-TOFMS) monitoring of roast gases. JO - Foods VL - 9 IS - 5 PB - Mdpi PY - 2020 SN - 2304-8158 ER -