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Over the past decades, an enormous body of literature dealing with the natural deposition of carotenoids in plant- and animal-based foods has accumulated. Prominent examples are the large solid-crystalline aggregates in carrots and tomatoes or the lipid-dissolved forms in dairy products and egg yolk. Latest research has identified lipid-dissolved forms in a rare number of plant foods, such as tangerine tomatoes and peach palm fruit (Bactris gasipaes Kunth). In addition, liquid-crystalline forms were assumed in so-called tubular chromoplasts of numerous fruits, e.g., in papaya, mango, and bell pepper. The bioavailability of carotenoids from fresh and processed foods strongly depends on their genuine deposition form, since their effective absorption to the human organism requires their liberation from the food matrix and subsequent solubilization into mixed micelles in the small intestine. Consequently, a broad overview about the natural array of carotenoid deposition forms should be helpful to better understand and modulate their bioavailability from foods. Furthermore, naturally highly bioavailable forms may provide biomimetic models for the improved formulation of carotenoids in food supplements. Therefore, this review paper presents scientific evidence from human intervention studies associating carotenoid deposition forms with their bioavailability, thus suggesting novel technological and dietary strategies for their enhanced absorption. [ABSTRACT FROM AUTHOR]

The effect of water deficit on concentrations of carotenoids was investigated in ripening tomatoes using HPLC-PDA. Fifteen different tomato cultivars were grown under three levels of water supply and unripe and fully-ripe fruits were harvested at different stages. Water deficit significantly affected several morphological and fruit yield-related parameters. In unripe tomato fruits, the relative concentrations of xanthophyll cycle carotenoids, e.g., violaxanthin and antheraxanthin, were significantly increased at the expense of β-carotene upon limiting the water supply. In ripe fruits, nutritionally-relevant lycopene, β-carotene and lutein levels were broadly independent of water deficit when considering all 15 cultivars, although significant variations were observed among fruits from different genotypes. Our study highlights the importance of careful genotype selection for the production of tomatoes rich in nutritionally-relevant compounds like lycopene and β-carotene.

The drought tolerance of tomato (Lycopersicon esculentum Mill.) is a trait needing urgent improvement due to recent climate changes and limited water availability. We therefore conducted a greenhouse screening experiment to identify tomato cultivars with improved drought tolerance. Several sensitivity and tolerance indices were computed based on morphological markers. With the aim of establishing a correlation to these markers, a total of 16 inter-simple sequence repeat (ISSR) primers were used, the genetic diversity among cultivars was elucidated and clustering the cultivars into groups based on their molecular profiles was performed. The obtained results indicated that selection indices, such as geometric mean productivity (GMP), mean productivity (MP), tolerance index (TOL),and stress tolerance index (STI), represented suitable indices for screening the drought tolerance of tomato cultivars. An interesting correlation of the ISSR analyses to these morphological findings was established according to 83 detectable fragments derived from 10 primers. The highest value of the effective multiplex ratio (EMR) and marker index (MI) was detected for primer INC7 followed by INC1. Based on Jaccard's similarity coefficients, the genetic distance of the genotypes varied from 0.702 to 0.942 with a mean value of 0.882. The results showed a clear-cut separation of the 15 tomato cultivars due to their genetic variability, making them a valuable genetic source for their incorporation into potential breeding programs. Molecular data were in good agreement with the results as regards selection indices, and both of them will be useful tools for improvement of the tomato germplasm.

Anthocyanin profiles of juices from blueberry (Vaccinium myrtillus L.) and different grape varieties (Vitis labrusca L. cv. Concord, Vitis vinifera L. cvs. Accent, Dunkelfelder, Dakapo, and GM 674-1) were characterized by ultra-high performance liquid chromatography (UHPLC) coupled to trapped ion mobility spectrometry-quadrupole time-of-flight tandem mass spectrometry (TIMS-QTOF-MS/MS). Ion mobility and collision cross section (CCS) values of over 50 structurally related anthocyanins based on delphinidin, cyanidin, petunidin, peonidin, and malvidin were determined. Relations between molecular mass, mobility values, and specific structural features were revealed. The mass-to-charge (m/z) ratio of the molecular ions (M + ) was found to be the major factor influencing anthocyanin ion mobilities, but structural characteristics also contributed to their variability. We were able to differentiate positional and geometrical isomers and certain epimers by their respective mobility values. For instance, whereas 3-O-hexosides (i.e., 3-O-glucosides and 3-O-galactosides) were separated by TIMS, epimers of 3-O-pentosides assessed could not be distinguished., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 The Author(s). Published by Elsevier Ltd.. All rights reserved.)

Scope: Excessive activation of the nucleotide-binding oligomerization domain-like receptor pyrin domain-containing protein 3 (NLRP3) inflammasome contributes to chronic inflammation. Thus, targeting NLRP3 inflammasome activation by anthocyanins may prevent inflammatory diseases. Therefore, the present study determines the influence of a black carrot extract (BCE) with high amounts of acylated anthocyanins and their related phenolic acids on the NLRP3 inflammasome., Methods and Results: THP-1 monocytes are pretreated with a BCE, cyanidin-3-glucoside (C3G), or hydroxycinnamic acids. NLRP3 inflammasome assembly is initiated by priming THP-1 monocytes with lipopolysaccharide and/or activating the NLRP3 inflammasome with nigericin. Flow cytometry is used to assess apoptosis-associated speck-like protein containing a caspase recruitment domain (ASC) speck formation, as well as ASC and NLRP3 protein expression. Caspase-1 activity is measured using a bioluminescent assay, and cytokine concentrations are determined by enzyme-linked immunosorbent assays (ELISA). C3G and phenolic acids diminish ASC and NLRP3 protein expression. In addition, C3G and phenolic acids attenuate ASC speck formation. Furthermore, the BCE and C3G decline caspase-1 activity. Consistently, IL-1β and IL-18 secretion are reduced upon NLRP3 inflammasome activation., Conclusion: The present study shows that a BCE with high amounts of acylated anthocyanins and their related phenolic acids diminish priming and activation of the NLRP3 inflammasome in THP-1 monocytes., (© 2024 The Author(s). Molecular Nutrition & Food Research published by Wiley‐VCH GmbH.)

Potentially health-promoting concentrations of flavan-3-ols were previously shown to be retained in apple juices produced with the emerging spiral filter press. Due to the novelty of this technology, the factors governing the stability of flavan-3-ol-rich apple juices have only scarcely been studied. Therefore, we produced flavan-3-ol-rich apple juices and concentrates (16, 40, 70 °Brix) supplemented with ascorbic acid (0.0, 0.2, 1.0 g/L) according to common practice. Flavan-3-ols (DP1-7) and twelve flavan-3-ol reaction products were comprehensively characterized and monitored during storage for 16 weeks at 20 and 37 °C, employing RP-UHPLC- and HILIC-DAD-ESI(-)-QTOF-HR-MS/MS. Flavan-3-ol degradation followed a second-order reaction kinetic, being up to 3.5-times faster in concentrates (70 °Brix) than in single strength juices (16 °Brix). Furthermore, they diminished substantially faster compared to other phenolic compounds. For instance, after 16-weeks at 20 °C, the maximum loss of flavan-3-ols (-70 %) was greater than those of hydroxycinnamic acids (-18 %) and dihydrochalcones (-12 %). We observed that flavan-3-ols formed adducts with sugars and other carbonyls, such as 5-(hydroxymethyl)furfural and the ascorbic acid-derived L-xylosone. Increased degradation rates correlated particularly with increased furan aldehyde levels as found in concentrates stored at elevated temperatures. These insights could be used for optimizing production, distribution, and storage of flavan-3-ol-rich apple juices and other foods and beverages., Competing Interests: Declaration of competing interest In June 2024, a manufacturer of spiral filter presses (GEA, Düsseldorf, Germany) has declared to sponsor Geisenheim University by providing a new spiral filter press model in the first quarter of 2025., (Copyright © 2024 The Author(s). Published by Elsevier Ltd.. All rights reserved.)

The retention of flavan-3-ols and other phenolic compounds during apple juice production at pilot plant scale (200 kg, cv. Boskoop) was investigated. An oxygen-excluding spiral filter press and a conventional decanter were used with and without pectinase mash treatment. Phenolic compounds were comprehensively identified and quantitated by RP-UHPLC and HILIC, both coupled to DAD-FLD and DAD-ESI(-)-QTOF-HR-MS/MS. These techniques combined with using a NIST cocoa flavan-3-ol standard allowed for the first time an individual quantification of flavan-3-ol fractions (DP 1-7) in apple juices. Spiral filter-pressed juices were exposed to less oxidation and exhibited four times higher total phenolic compound levels than decanter-made juices (1016 vs. 262 mg/L). Apple juices derived from pectinase-treated mashes had lower total phenolic compound levels than their non-treated counterparts. However, those made by spiral filter press still retained significantly higher concentrations (780 vs. 104 mg/L). Flavan-3-ols were especially well retained by spiral filter press processing, reaching unprecedentedly high concentrations of up to 713 mg/L. A 280 mL serving of non-treated spiral filter-pressed juice would therefore suffice to provide the daily intake of 200 mg flavan-3-ols, equaling the dose of cocoa flavan-3-ols associated with an authorized European health claim for healthy blood flow., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 The Authors. Published by Elsevier Ltd.. All rights reserved.)

Background: Organic viticulture seeks sustainable alternatives for eco-toxic copper fungicides to control downy mildew caused by Plasmopara viticola. (Poly)phenol-rich extracts of agricultural byproducts are known to possess antifungal activity, but high production costs often limit their actual implementation., Results: We developed and produced novel ligninsulfonate-based grape cane extract (GCE) formulations and an apple extract on a pilot plant scale, including a detailed (poly)phenol characterization by high-performance liquid chromatography photodiode array mass spectrometry (HPLC-PDA-MS). Our GCE formulations alone reduced downy mildew disease severity in greenhouse trials by 29%-69% in a dose-dependent manner, whereas a standard application of the copper-based agent alone reached ~56%. When applied together, disease severity was diminished by 78%-92%, revealing a synergistic effect that depended on the mixture ratio. Combining GCE formulations with the apple extract, additive effects were found (80% disease severity reduction)., Conclusion: The studied plant extracts are proposed to both substitute for and synergistically reinforce copper fungicides in grapevine downy mildew control. © 2023 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry., (© 2023 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.)

Anthocyanins in red cabbage, sweet potato, and Tradescantia pallida leaves were characterised. A total of 18 non-, mono-, and diacylated cyanidins was identified in red cabbage by high performance liquid chromatography-diode array detection coupled to high-resolution and multi-stage mass spectrometry. Sweet potato leaves contained 16 different cyanidin- and peonidin glycosides being predominantly mono- and diacylated. In T. pallida leaves, the tetra-acylated anthocyanin tradescantin prevailed. The large proportion of acylated anthocyanins resulted in a superior thermal stability during heating of aqueous model solutions (pH 3.0) coloured with red cabbage and purple sweet potato extracts as compared to that of a commercial Hibiscus-based food dye. However, their stability was still outperformed by that of the most stable Tradescantia extract. Comparing vis spectra from pH 1-10, the latter had an additional, uncommon absorption maximum at approx. 585 nm at slightly acidic to neutral pH values, yielding intensely red to purple colours., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 Elsevier Ltd. All rights reserved.)

The comprehensive identification of the proteome content from a white wine (cv. Silvaner) is described here for the first time. The wine protein composition isolated from a representative wine sample (250 L) was identified via mass spectrometry (MS)-based proteomics following in-solution and in-gel digestion methods after being submitted to size exclusion chromatographic (SEC) fractionation to gain a comprehensive insight into proteins that survive the vinification processes. In total, we identified 154 characterized (with described functional information) or so far uncharacterized proteins, mainly from Vitis vinifera L. and Saccharomyces cerevisiae . With the complementarity of the two-step purification, the digestion techniques and the high-resolution (HR)-MS analyses provided a high-score identification of proteins from low to high abundance. These proteins can be valuable for future authentication of wines by tracing proteins derived from a specific cultivar or winemaking process. The proteomics approach presented herein may also be generally helpful to understand which proteins are important for the organoleptic properties and stability of wines.

Methanol, a hepato- and neurotoxic compound, is present in apple-based beverages as a by-product of the enzymatic degradation of pectin. Stable isotope dilution assay (SIDA) employing gas chromatography-mass spectrometry (GC-MS) is the state-of-the-art method for methanol determination in beverages. Despite higher initial investment costs, quantitative 1 H NMR spectroscopy (qNMR) is a simpler and faster analytical technique to quantify numerous analytes in liquid foods. Beyond targeted analyses, qNMR spectral fingerprints in the product might be used for non-targeted analytical goals, such as adulteration and contamination detections. Here, an existing 1 H-qNMR method used for wine profiling was optimised for methanol quantification in apple-based products, including cross-validation against a SIDA-HS-GC-MS method and reference values from interlaboratory trials. The optimisation involved a pivotally important estimation of a correction factor by an external calibration approach, making qNMR results comparable to SIDA-HS-GC-MS. The optimised qNMR method is suggested to be an alternative for methanol quantification in beverages., (Copyright © 2022 Elsevier Ltd. All rights reserved.)

Potassium dihydrogen phosphonate had been allowed as a plant strengthener in organic viticulture in the European Union only until 2013, supporting the control of grapevine downy mildew. Therefore, low or nondetectable levels are a prerequisite for marketing of organic wines and, consequently, validated analytical methods are of major interest. Herein, two methods based on ion chromatography conductivity detection (IC-CD) or ion chromatography inductively coupled plasma mass spectrometry (IC-ICP-MS) for the determination of phosphonic acid (H 3 PO 3 ) from 14 different plant matrices of Vitis vinifera L., wine, and soil were developed, validated, and compared. Extraction recoveries ranged from 95.1 to 99.3%. Limits of quantification (LOQ) ranged in liquid and solid samples from 3.8 to 16.8 μg/kg and 0.08 to 2.41 mg/kg for ICP-MS detection and from 39.9 to 593.7 μg/kg and 3.51 to 58.7 mg/kg for CD, respectively. Data on a current anonymized selection of 100 conventionally and 30 organically produced wines are briefly presented to demonstrate the suitability of the method.

Essential oils (EOs) and their individual volatile organic constituents have been an inherent part of our civilization for thousands of years. They are widely used as fragrances in perfumes and cosmetics and contribute to a healthy diet, but also act as active ingredients of pharmaceutical products. Their antibacterial, antiviral, and anti-inflammatory properties have qualified EOs early on for both, the causal and symptomatic therapy of a number of diseases, but also for prevention. Obtained from natural, mostly plant materials, EOs constitute a typical example of a multicomponent mixture (more than one constituent substances, MOCS) with up to several hundreds of individual compounds, which in a sophisticated composition make up the property of a particular complete EO. The integrative use of EOs as MOCS will play a major role in human and veterinary medicine now and in the future and is already widely used in some cases, e.g. , in aromatherapy for the treatment of psychosomatic complaints, for inhalation in the treatment of respiratory diseases, or topically administered to manage adverse skin diseases. The diversity of molecules with different functionalities exhibits a broad range of multiple physical and chemical properties, which are the base of their multi-target activity as opposed to single isolated compounds. Whether and how such a broad-spectrum effect is reflected in natural mixtures and which kind of pharmacological potential they provide will be considered in the context of ONE Health in more detail in this review., Competing Interests: Authors MB, DK, and FS are employed by WALA Heilmittel GmbH; Germany and author HS acts as consultant (Consulting & Project Management for Medicinal & Aromatic Plants, Germany). The remaining authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2022 Bunse, Daniels, Gründemann, Heilmann, Kammerer, Keusgen, Lindequist, Melzig, Morlock, Schulz, Schweiggert, Simon, Stintzing and Wink.)

A greenhouse experiment was conducted to study the effects of the application of a plant-derived biostimulant (Bioup® TF) on fruit quality and composition of two clusters (cluster II and cluster VI) of the cherry tomato cultivars 'Eletta', 'Kaucana', and 'Top Stellina'. The biostimulant application promoted fruit yield by 12% (up to 1.3 kg m -2 in 'Kaucana') and increased the concentrations of important functional constituents like phytoene, γ-tocopherol and β-tocopherol by up to 16, 25, and 23%, respectively. Fruits from late-ripe cluster VI showed higher fruit weights, D-fructose, and total sugar contents than those from early-ripe cluster II (by 15, 7 and 5%, respectively), but reduced concentrations of acyclic carotenoids (phytoene and lycopene) and tocochromanols (mainly γ-tocopherol, -44%). 'Top Stellina' showed the highest responsiveness to the biostimulant, as particularly (all-E)-β-carotene, phytofluene, and γ-tocopherol concentrations increased, indicating a genotype-dependent effect of the treatment. However, fruits of all treated genotypes showed a contextual decrease in D-fructose and total sugars in response to the biostimulant (on average by 7 and 10%, respectively), indicating a metabolic load burdening the accumulation of lipophilic antioxidants in cherry tomatoes at the expense of their taste-related C pool., (Copyright © 2022 Elsevier Ltd. All rights reserved.)

Rationale: The single and double bonds of the polyene chain of the studied retro-carotenoids are located at the neighboring positions compared to those of regular carotenoids. Our mass spectrometry approach targeted at facilitating the characterization of retro-carotenoids as their structural diversity in nature is not yet fully elucidated. Moreover, extended π-electron systems endow several retro-carotenoids with exceptional colors from golden-orange to vibrant red that stimulate the food industry's interest., Methods: Atmospheric pressure chemical ionization-quadrupole time-of-flight-high-resolution mass spectrometry (APCI-QTOF-HRMS) experiments of the three structurally related retro-carotenoids rhodoxanthin, eschscholtzxanthone, and eschscholtzxanthin were performed to elucidate the formation of specific ion species compared to those of the common carotenoids lutein and zeaxanthin. Mass fragmentations of the aforementioned retro-carotenoids were unraveled using APCI-tandem mass spectrometry (MS/MS) in the negative and positive ion modes., Results: Abundant in-source fragment ions [M + H - H 2 O] + of eschscholtzxanthin and eschscholtzxanthone were formed in the positive ion mode owing to the loss of water at the hydroxylated ε-rings. Eliminations of the ε-rings at the characteristic exocyclic double bonds at C-6,7 and C-6',7' were observed after the resonance-stabilized loss of water. Distinct product ions were yielded for all retro-carotenoids assessed because of the cleavage at their typical central single bond at C-15,15'., Conclusions: Detailed APCI-QTOF-HRMS analyses enabled a highly accurate detection of the most abundant ion species and respective signal intensity ratios of retro-carotenoids, facilitating their further screening and reliable identification in natural sources. Mass fragmentations of the studied retro-carotenoids were found to be substantially impacted by the extraordinary configuration of their polyene backbone., (© 2021 The Authors. Rapid Communications in Mass Spectrometry published by John Wiley & Sons Ltd.)

Stilbenoids in grape cane ( Vitis vinifera L.) are bioactive compounds relevant for plant defense and the potential valorization of this byproduct. Our screening of grape cane from 102 varieties showed constitutive stilbenoid levels in a wide range (557-7748 mg/kg of dry weight). Analyses of genetically distinct clones of selected cultivars unraveled that intravarietal variability (e.g., cv. Riesling, 3236-6541 mg/kg) was higher than that across samples from a single clone but different vineyard positions (3017-3710 mg/kg). Furthermore, stilbenoid levels in samples obtained in October, December, and February (3 years, 2017-2019) showed pronounced quantitative and qualitative variability and the highest yields upon December pruning. For instance, vitisin B and ε-viniferin in cv. Pinot Noir and Accent were predominant in 2017 and 2019 (both >90% of total stilbenoids) but not in 2018 (both <55%) when temperatures were high and precipitation low. In brief, we report the variability of stilbenoid levels in grape cane depending upon genetic and environmental factors.

In this work, two vintages (2019 and 2020) of red-fleshed 'Weirouge' apples were processed with the innovative spiral filter press technology to investigate juice production in an oxygen-reduced atmosphere. After pressing, a more brilliant red color and appreciably higher amounts of oxidation-sensitive constituents (ascorbic acid, anthocyanins, and colorless (poly)phenols) were seen in spiral filter pressed juices compared to those produced with conventional systems (horizontal filter press and decanter). In a subsequent stability study (24 weeks storage at 4, 20, and 37 °C), the color and phenolic compounds were monitored and differences in the juices produced with the different pressing-systems were widely maintained during the storage period. The analyses of the anthocyanins and colorless (poly)phenols were conducted by UHPLC-DAD-ESI-QTOF-HR-MS/MS and UHPLC-DAD. The spiral filter press emerged as a promising technology for the production of juices with a more attractive color and a better retention of oxidation-sensitive constituents during processing and storage compared to conventional juices.

Introduction: Although epidemiological studies associate the consumption of sugary beverages with adverse health effects, human experimental studies have demonstrated substantially different metabolic responses when 100% fruit juices are compared with artificial beverages. Fruit juices do not just provide sugars and associated calories, but they are also rich in bioactive compounds. Flavanones are bioactives specifically and abundantly found in citrus foods, with hesperidin as the major representative in sweet oranges. Flavanone intake has been associated with a lower incidence of mortality from cardiovascular disease (CVD). However, clinical evidence are too scarce to confirm the vasculoprotective effects of 100% orange juice (OJ) presumably mediated by flavanones and thereby do not allow firm conclusions to be drawn about their efficacy., Methods and Analysis: The HESPER-HEALTH study aims to assess the efficacy of OJ in improving vascular function and the contribution of hesperidin to these effects. This double-blind, randomised, controlled, crossover study will be carried out in 42 volunteers predisposed to CVD, based on age and on overweight. It includes three 6-week periods of consumption of 330 mL/d of OJ versus control drinks with and without hesperidin at a dose in agreement with a daily OJ serving (approx. 200-215 mg). The primary outcome is endothelial function, assessed by flow mediated dilation, with measurements performed at fasting and postprandially in response to a challenge meal. The secondary outcomes include bioavailability and metabolism of flavanones, changes in other markers of vascular function, systemic biomarkers of cardiovascular risk, endothelial dysfunction and inflammation, vitamin C and carotenoids status, anthropometry and body composition, gut microbiota composition, nutrigenomic response and in oxylipin profiling., Ethics and Dissemination: This ongoing study was approved by the Ethics committee Sud-Est III, Bron, France on 17 November 2020. The trial is registered on ClinicalTrials.gov. The results will be disseminated in peer-reviewed journals., Trial Registration Number: NCT04731987; Pre-results., Competing Interests: Competing interests: None declared., (© Author(s) (or their employer(s)) 2021. Re-use permitted under CC BY-NC. No commercial re-use. See rights and permissions. Published by BMJ.)

Mycotoxins are frequently found in fruits and fruit juices. However, data about occurrence and fate of mycotoxins along the fruit juice processing chain are currently insufficient. Herein, a liquid chromatographic/tandem mass spectrometric (LC-MS/MS) multi-mycotoxin method was developed and applied to investigate the effect of technological unit operations on the fate of three of the most relevant mycotoxins along the processing chain for cloudy and clear apple juice, namely patulin (PAT), ochratoxin A (OTA), and alternariol (AOH). Raw juice obtained directly after dejuicing was spiked with the aforementioned mycotoxins at pilot-plant scale prior to subjecting it to different technological unit operations. Regarding clear apple juice production treatment with a pectinolytic enzyme preparation, and pasteurization were insignificant for mycotoxin reduction, but fining with subsequent filtration was effective, although the mycotoxins showed different affinity towards the tested agents. The most effective fining agent was activated charcoal/bentonite in combination with ultrafiltration, which removed OTA (54 µg/L) and AOH (79 µg/L) to not quantifiable amounts (limit of quantification (LOQ) 1.4 and 4.6 µg/L, respectively), while PAT was reduced only by 20% (from 396 to 318 µg/L). Regarding cloudy apple juice production, all studied processing steps such as centrifugation and pasteurization were ineffective in reducing mycotoxin levels. In brief, none of the common steps of clear and cloudy apple juice production represented a fully effective safety step for minimizing or even eliminating common mycotoxins. Thus, ensuring the sole use of sound apples should be of utmost importance for processors, particularly for those manufacturing cloudy juices., (© 2021. The Author(s).)

Mutual adulterations of lemon and lime juices may be detected using coumarins and psoralens as markers. Poor manufacturing practices or legal but mechanically intense processing of lemons were recently suspected to lead to false accusations of deliberate adulterations with lime juices due to potentially unspecific markers. Therefore, we studied coumarin and psoralen profiles in carefully dissected flavedo, albedo, and endocarp of lime and lemon as well as in juices produced under variable mechanical stresses at laboratory and pilot plant scale. Although the marker herniarin was detectable in juices from lime and harshly extracted lemons at low levels, isopimpinellin, bergapten and the herein proposed, tentatively assigned 5-geranyloxy-8-methoxypsoralen represented unambiguously lime-specific markers. Coumarin and psoralen data also allowed differentiating juices produced at differing degrees of mechanical stress. The latter was also possible using quantitative 1 H-NMR spectroscopy, which yielded best results when combined with HPLC data on coumarins and psoralens. In the future, the reported approach may be used for establishing a robust database prior to being used in industrial practice., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

The botanical delimitation of Taxus species and cultivars may be facilitated by characterizing the pigment profiles of their red- and yellow-fleshed arils. Therefore, we determined genuine carotenoid profiles of differently colored arils of seven defined cultivars of Taxus baccata L. and Taxus × media Rehder. In-depth HPLC-DAD-ESI/APCI-MS n analyses revealed the presence of 43 carotenoids. Exceptional retro-carotenoids dominated the profiles of all samples assessed. Rhodoxanthin (E/Z)-isomers were predominant in the red-colored arils, resulting in a rather unusual abundance of carotenoid isomers as expressed by ratios of up to 1.3:2.0:0.9 between (all-E)-, (6Z)-, and (6Z,6'Z)-rhodoxanthin, respectively. By contrast, the uncommon yellow arils of Taxus baccata L. 'Lutea' mainly contained eschscholtzxanthin (E/Z)-isomers and esters. Total carotenoid concentrations ranged from 17.00 to 58.78 μg/g fresh weight across all samples assessed. Highest total rhodoxanthin concentrations of 51.33 ± 0.46 μg/g fresh weight were obtained from the red arils of Taxus × media Rehder 'Hicksii'. Overall, Taxus arils represent a promising source of carotenoids and, in particular, of retro-carotenoids with exceptional molecular structures and extraordinary absorption properties., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

In the present work, Eigen-directed network analysis for Fourier-transform infrared (FTIR) spectroscopic data sets of wine samples was introduced. A network can generally be viewed as a collection of nodes connected to each other through links, often also called edges. Herein, each node in the network represents a sample and the dissimilarity weight associated with the difference between the two connected nodes is described by the edge. The utility of the approach was tested by analysing a collection of 148 wine samples. The networking on FTIR data sets of these samples in the Eigen space layout was found to impart required aesthetic values as well as the chemical significance to the nodes positioning. The proposed approach successfully captured the compositional differences among the analysed wine samples and classified them in two groups. The Eigen-directed network analysis also allowed a swift assessment regarding inter- and intra-group homogeneity. Homogeneous groups were found to contain nodes with high degree of adjacency and edges with smaller lengths. In comparative study, the proposed approach was found to outperform the network analysis in force-directed layout and principal component analysis. In summary, the proposed Eigen-directed network analysis provided a simplified illustration of highly correlated spectral data sets enabling a swift and intuitive interpretation., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2021 Elsevier B.V. All rights reserved.)

Rhodoxanthin is a scarcely explored carotenoid with an extraordinarily large chromophore and high potential to function as red pigment. We report broad ranges of color shades accessible with rhodoxanthin across an unprecedented wide range of (E/Z)-ratios by thermal (E/Z)-isomerization, lyotropic aggregation, and two different formulation techniques, covering shares of the (all-E)-configured isomer of 19-91%. At (E/Z)-ratios of 75 and 23%, rhodoxanthin (E/Z)-isomer mixtures in acetone revealed color hues (CIE-h°) ranging from 20-44° to 36-54°. Lyotropic aggregation of rhodoxanthin (E/Z)-isomer mixtures in acetone/water yielded red (CIE-h° = 29°) to purple (-7°) and red-orange (44°) to pink (9°) color hues at (all-E)-proportions of 73 and 20%, respectively. Red and purple color hues were produced by micronization using solvent-based emulsification (CIE-h° = 33-37°) and high-performance wet-milling (-6°). The presented technological strategies for formulating nature-identical rhodoxanthin into water-dispersible forms showed its potential as promising pigment for imparting red, pink, and purple color to foods and beverages., Competing Interests: Declaration of Competing Interest R. Schex, W. Bonrath, and C. Schäfer work for DSM Nutritional Products (Basel, Switzerland), a commercial manufacturer of carotenoids., (Copyright © 2020. Published by Elsevier Ltd.)

Shifted peak positions in 1H-nuclear magnetic resonance (1H-NMR) spectroscopy of wine samples are inevitably occurring mainly due to variations in the sample matrix, which consists of ethanol, glycerol, carbohydrates, acids, phenolic compounds, minerals, and aroma compounds. Slight variations in pH during sample preparation or fluctuations in instrumental factors may contribute to shifted peak positions that need to be corrected before subjecting the NMR data to chemometric techniques to ensure samples are compared on the correct chemical shift scale. In the current work, a novel procedure for correcting 1H-NMR spectroscopy peak positions was developed by mapping of the raw NMR spectra on a common chemical shift axis using a simple interpolation approach. The mapping allowed a substantial correction of peak positions and subsequently reduced the computational burden in further spectral processing. Fine-tuning of the peak alignments was carried out efficiently by interval-wisely applying the correlation optimized warping (COW) algorithm. Our preceding mapping approach enabled the use of substantially simpler alignment parameters of the COW algorithm, thereby accelerating the whole peak alignment process. The developed procedure may also be suitable for facilitating NMR analyses of other sample types, such as agricultural, clinical or pharmaceutical samples in targeted or untargeted analytical approaches.

The hitherto scarcely investigated retro -carotenoid rhodoxanthin possesses high potential for coloration in the food and beverage industry using technofunctional formulations prepared thereof. Hence, we studied ( E/Z )-isomerization pathways of rhodoxanthin, including seven ( E/Z )-isomers comprising ( Z )-configured double bonds at unusual exocyclic and inner polyene chain positions. A mathematical approach was developed to deduce kinetic and thermodynamic parameters of six parallel equilibrium reactions interconnecting (all- E )-rhodoxanthin with mono-, di-, and tri-( Z )-isomers using multiresponse modeling. At 40-70 °C in ethyl acetate, reaction rate constants regarding the rotation from (all- E )- to (6 Z )-rhodoxanthin were 11-14 times higher than those of the common ( E/Z )-isomerization reaction at C-13,14 of the non- retro -structured carotenoid canthaxanthin. Moreover, the equilibrium reaction between (all- E )- and (6 Z )-rhodoxanthin was strongly product favored as indicated by negative Gibbs energies (-1.6 to -2.2 kJ mol -1 ), which is unusual for carotenoids within the studied temperatures. Overall, this study provides novel insights into structure-related dependencies of ( E/Z )-isomerization reaction kinetics and thermodynamics of polyenes.

Main Conclusion: Formation of specific ultrastructural chromoplastidal elements during ripening of fruits of three different colored Physalis spp. is closely related to their distinct carotenoid profiles. The accumulation of color-determining carotenoids within the chromoplasts of ripening yellow, orange, and red fruit of Physalis pubescens L., Physalis peruviana L., and Physalis alkekengi L., respectively, was monitored by high-performance liquid chromatography/diode array detector/tandem mass spectrometry (HPLC-DAD-MS/MS) as well as light and transmission electron microscopy. Both yellow and orange fruit gradually accumulated mainly β-carotene and lutein esters at variable levels, explaining their different colors at full ripeness. Upon commencing β-carotene biosynthesis, large crystals appeared in their chromoplasts, while large filaments protruding from plastoglobules were characteristic elements of chromoplasts of orange fruit. In contrast to yellow and orange fruit, fully ripe red fruit contained almost no β-carotene, but esters of both β-cryptoxanthin and zeaxanthin at very high levels. Tubule bundles and unusual disc-like crystallites were predominant carotenoid-bearing elements in red fruit. Our study supports the earlier hypothesis that the predominant carotenoid type might shape the ultrastructural carotenoid deposition form, which is considered important for color, stability and bioavailability of the contained carotenoids.

This study reports a clear-cut relationship of the technological use of specific filter aids with highly variable vanadium levels in beer, wine, and fruit juices. First, the previously reported broad range of vanadium levels was confirmed in 68 commercial beverages by ICP-MS. Since cloudy apple juices exhibited significantly lower vanadium amounts than clear apple juices, filter aids used for clarification were analyzed and found to contain substantial and highly variable amounts of vanadium, particularly in all analyzed diatomite (38-368 mg vanadium per kg filter aid), but not in perlite products (<4 mg/kg). Subsequent pilot-scale precoat filtration experiments (170 L/batch) proved vanadium to be released from diatomite (Kieselguhr), increasing its levels from ca. 2.1-2.6 µg/kg unfiltered to 27-201 µg/kg filtered juice, depending on the use of diatomites high or low in vanadium. Thus, filter aid selection was shown to modulate the vanadium concentrations in clarified beverages., (Copyright © 2019 Elsevier Ltd. All rights reserved.)

Mamey sapote is a fruit rich in specific keto-carotenoids, namely sapotexanthin and cryptocapsin. Their chemical structure suggests their provitamin A activity, although their absorption and conversion to vitamin A remained to be demonstrated in humans. Besides structure-related factors, the fruit matrix might also hamper absorption and conversion efficiency. Therefore, we monitored carotenoid and vitamin A levels in triacylglycerol-rich lipoprotein (TRL) fractions in plasma of human participants after consumption of fresh sapote and a carotenoid-rich "matrix-free" formulation derived thereof. A randomized 2-way cross-over study was conducted to compare the post-prandial bioavailability of 0.8 mg sapotexanthin and 1.2-1.5 mg cryptocapsin from the above-mentioned test meals. Seven blood samples were drawn over 9.5 h after test meal consumption. Carotenoids and retinoids were quantitated in TRL fractions using HPLC-DAD. Sapotexanthin was absorbed by all participants from all meals, being ca. 36% more bioavailable from the "matrix-free" formulation (AUC median  = 73.4 nmol∙h/L) than from the fresh fruit (AUC median  = 54.0 nmol∙h/L; p ≤ 0.001). Cryptocapsin was only absorbed by 4 of 13 participants. The appearance of retinyl esters was observed in all participants independent of the test meal. Although the fruit matrix hampered carotenoid in vivo-bioavailability from sapote, the fruit clearly represents a valuable source of vitamin A for humans., (Copyright © 2019 Elsevier Ltd. All rights reserved.)

The frequent consumption of carotenoid-rich foods has been associated with numerous health benefits, such as the supply of provitamin A. To exert these health benefits, carotenoids need to be efficiently liberated from the food matrix, micellized in the small intestine, taken up by the enterocytes and absorbed into the human blood stream. Enormous efforts have been made to better understand these processes. Because human studies are costly, labor-intense and time-consuming, the evaluation of carotenoid liberation and micellization at the laboratory scale using simulated in vitro digestion models has proven to be an important tool for obtaining preliminary results prior to conducting human studies. In particular, the liberation from the food matrix and the intestinal micellization can be mimicked by simulated digestion, yielding an estimate of the so-called bioaccessibility of a carotenoid. In the present review, we provide an overview of the carotenoid digestion process in vivo, the currently used in vitro digestion models and the outcomes of previous bioaccessibility studies, with a special focus on correlations with concomitantly conducted human studies. Furthermore, we advocate for the on-going requirement of better standardized digestion protocols and, in addition, we provide suggestions for the complementation of the acquired knowledge and current nutritional recommendations. © 2018 Society of Chemical Industry., (© 2018 Society of Chemical Industry.)

Background: Higher consumption of sugar-containing beverages has been associated with an elevated risk of type 2 diabetes and gout. Whether this equally applies to cola with an unhealthy image and orange juice (OJ) having a healthy image remains unknown., Methods: In order to investigate whether OJ and cola differently affect metabolic risk 26 healthy adults (24.7 ± 3.2 y; BMI 23.2 ± 3.3 kg/m 2 ) participated in a 2 × 2-wk intervention and consumed either OJ or caffeine-free cola (20% Ereq as sugar from beverages) in-between 3 meals/d at ad libitum energy intake. Glycemic control, uric acid metabolism and gut microbiota were assessed as outcome parameters., Results: Fecal microbiota, body weight, basal and OGTT-derived insulin sensitivity remained unchanged in both intervention periods. Levels of uric acid were normal at baseline and did not change with 2-wk cola consumption (-0.03 ± 0.67 mg/dL; p > 0.05), whereas they decreased with OJ intervention (-0.43 ± 0.56 mg/dL; p < 0.01) due to increased uric acid excretion (+130.2 ± 130.0 mg/d; p < 0.001). Compared to OJ, consumption of cola led to a higher daylong glycemia (ΔiAUC: 36.9 ± 83.2; p < 0.05), an increase in glucose variability (ΔMAGE-Index: 0.29 ± 0.44; p < 0.05), and a lower 24 h-insulin secretion (ΔC-peptide excretion: -31.76 ± 38.61 μg/d; p < 0.001), which may be explained by a decrease in serum potassium levels (-0.11 ± 0.24 mmol/L; p < 0.05)., Conclusion: Despite its sugar content, regular consumption of large amounts of OJ do not increase the risk of gout but may even contribute to lower uric acid levels. The etiology of impaired insulin secretion with cola consumption needs to be further investigated., (Copyright © 2018 Elsevier Ltd and European Society for Clinical Nutrition and Metabolism. All rights reserved.)

Sugar-containing beverages like orange juice can be a risk factor for obesity and type 2 diabetes although the underlying mechanisms are less clear. We aimed to investigate if intake of orange juice with or in-between meals differently affects energy balance or metabolic risk. Twenty-six healthy adults (24.7 ± 3.2 y; BMI 23.2 ± 3.2 kg/m 2 ) participated in a 4-week cross-over intervention and consumed orange juice (20% of energy requirement) either together with 3 meals/d (WM) or in-between 3 meals/d (BM) at ad libitum energy intake. Basal and postprandial insulin sensitivity (primary outcome), daylong glycaemia, glucose variability and insulin secretion were assessed. Body fat mass was measured by air-displacement plethysmography. After BM-intervention, fat mass increased (+1.0 ± 1.8 kg; p < 0.05) and postprandial insulin sensitivity tended to decrease (ΔMatsuda ISI : -0.89 ± 2.3; p = 0.06). By contrast, after WM-intervention fat mass and gamma-glutamyl transferase (GGT) decreased (-0.30 ± 0.65 kg; -2.50 ± 3.94; both p < 0.05), whereas glucose variability was higher (ΔMAGE: +0.45 ± 0.59, p < 0.05). Daylong glycaemia, insulin secretion, changes in basal insulin sensitivity, and triglycerides did not differ between WM- and BM-interventions (all p > 0.05). In young healthy adults, a conventional 3-meal structure with orange juice consumed together with meals had a favorable impact on energy balance, whereas juice consumption in-between meals may contribute to a gain in body fat and adverse metabolic effects.

In this study, a detailed chemical characterization of nutritionally-relevant, quality-determining constituents in dried and fresh fruits as well as juices of maqui (Aristotelia chilensis (Mol.) Stuntz) is provided. A total of 8 glycosylated anthocyanins was characterized in maqui fruits, being composed of differently substituted cyanidin and delphinidin derivatives. During processing into juice, a substantial loss in total anthocyanin contents (TAC) was observed. TAC values were also reduced after drying of maqui berries. Likewise, the browning index (BI) of fresh fruits increased during processing. Being composed of flavonol glycosides and ellagic acids, 17 non-anthocyanin phenolics were characterized in all maqui samples. Besides characterizing phenolic compounds, antioxidant activities, total phenolics, major sugars, non-volatile organic acids, minerals and trace elements were quantitated. Moreover, total lipid contents and the fruits' mainly unsaturated fatty acid profiles are reported. The presented results indicate the high potential of maqui as so far under-utilized but extremely pigment-rich "superfruit"., (Copyright © 2015 Elsevier Ltd. All rights reserved.)