Microorganisms produce secondary metabolites with a remarkable range of bioactive properties. The constantly increasing amount of published genomic data provides the opportunity for efficient identification of biosynthetic gene clusters by genome mining. On the other hand, for many natural products with resolved structures, the encoding biosynthetic gene clusters have not been identified yet. Of those secondary metabolites, the scaffolds of nonribosomal peptides and polyketides (type I modular) can be predicted due to their building block-like assembly. SeMPI v2 provides a comprehensive prediction pipeline, which includes the screening of the scaffold in publicly available natural compound databases. The screening algorithm was designed to detect homologous structures even for partial, incomplete clusters. The pipeline allows linking of gene clusters to known natural products and therefore also provides a metric to estimate the novelty of the cluster if a matching scaffold cannot be found. Whereas currently available tools attempt to provide comprehensive information about a wide range of gene clusters, SeMPI v2 aims to focus on precise predictions. Therefore, the cluster detection algorithm, including building block generation and domain substrate prediction, was thoroughly refined and benchmarked, to provide high-quality scaffold predictions. In a benchmark based on 559 gene clusters, SeMPI v2 achieved comparable or better results than antiSMASH v5. Additionally, the SeMPI v2 web server provides features that can help to further investigate a submitted gene cluster, such as the incorporation of a genome browser, and the possibility to modify a predicted scaffold in a workbench before the database screening.

Monovarietal wines produced in different wine-growing areas may have completely different sensory profiles. As a result, they may be suitable for sale in different regions, depending on local preferences. Better insight into the sensory and chemical profiles of these wines can be helpful in further optimizing commercial strategies and matching supply and demand, which is the main challenge for global wine traders. The training of dedicated sensory panels, together with the correlation of the evaluated attributes with chemical parameters, followed by validation of the obtained models, may yield an improved picture of the overall features associated with products from a specific region. Eighteen samples of international Chardonnay and eighteen samples of international Sauvignon Blanc wines were collected from nine world origins (Northern Italy, Southern Italy, Chile, Argentina, New Zealand, Australia, and South Africa). The overall quality judgement (OQJ) and the sensory attributes were evaluated by a panel trained with a MRATA (Modified Rate-All-That-Apply) method. Moreover, volatile compounds were analysed by HS-SPME-GC × GC-ToF/MS and the phenolic composition, including proanthocyanidins, was determined using HPLC-QqQ/MS. The processing of the data using different multivariate analysis methods, such as multiple factor analysis (MFA), was essential to gain insight into the quality of the samples. The profile of cyclic and non-cyclic oligomeric proanthocyanidins was found to be substantially dependent on the grape variety used in the wines (varietal markers), despite the country of origin of the wine influencing it to a limited extent. The results from the same samples analysed by a sensory panel from Germany and ours were qualitatively compared, highlighting the presence of potential factors inherent to the panels themselves that could influence the different judgments and quality classification of the wines. Consequently, the combination of sensory and chemical analysis, by means of the application of multivariate statistical methods presented in this study proves to be a powerful tool for a deeper and more comprehensive understanding of the quality of the wines under investigation. Overall quality was described as a combination of the sensory attributes, according to the perception process. The attributes were in turn described based on the chemical profiles, which were determined independently by analytical techniques. Eventually, this approach can be very useful not only for basic research on wine quality but also as a tool to aid business-related decision-making activities of wineries and wine traders and to create models that can aid the refinement of marketing strategies.

In this study, a metabolomic investigation was presented to correlate single polyphenolic compounds in apple pulp with quality characteristics such as antioxidant activity and content of phenolic compounds and anthocyanins in apple skin. Since the concentration of these compounds is influenced by environmental factors, the twenty-two apple cultivars originate from the same site. The polyphenolic compounds were analyzed by ultra-high-performance liquid chromatography coupled with triple quadrupole mass spectrometry (UHPLC-QqQ-MS/MS). The antioxidant activity, phenolic content, and anthocyanins were evaluated on the sunny and the shady sides of apple skin by spectrometric assays. In old apple varieties, the measured parameters were higher than in the commercial and red-fleshed varieties. By contrast, the profile of flavan-3-ols and anthocyanins was variable amongst commercial and red-fleshed varieties. The partial least square (PLS) method was applied to investigate the association between the skin proprieties and the metabolic profile of the pulp. The highest coefficients of determination in prediction (Q2) were obtained for compounds quantified in old cultivars. These results provided information to define the old apple varieties as a reliable group based on the pathway of the antioxidant compounds and anthocyanins content. Our results show the possibility to find cultivars with promising health features based on their content of polyphenols suitable for commercialization or breeding.

Within the EU, changes in policy and public sentiment have made it more urgent to consider the adoption of sustainable agricultural practices. Consequently, one of the EU’s goals is to reduce pesticide use by 50 per cent by 2030, including in viticulture. One of the proposed approaches is to expand the use of disease resistant hybrid grape‐cultivars (DRHGC), such as ‘PIWI’ grapes (German, Pilzwiderstandsfähige Rebsorten), and to introduce new DRHGCs. However, the characteristics of DRHGCs are different from those of Vitis vinifera, which makes it necessary to take measures and make changes in winemaking technology to maintain high wine quality. This paper examines the chemistry of wines made from DRHGC and discusses their impact on aroma and flavor profiles. It also reviews the main winemaking practices suggested to produce high‐quality wines from DRHGCs. The chemistry of DRHGCs is different to wine produced from V. vinifera, which can lead to both challenges during winemaking and unusual flavor profiles. Although newer DRHGCs have been bred to avoid unexpected flavors, many DRHGCs are still rich in proteins and polysaccharides. This can make tannin extraction difficult and produce wines with little astringency. In addition to this, new or alternative winemaking techniques such as thermovinification and the use of alternative yeast strains (non‐Saccharomyces) can be used to produce wines from DRHGCs that are acceptable to consumers.