δ13C as a tool for iron and phosphorus deficiency prediction in crops.

Many studies proposed the use of stable carbon isotope ratio (δ13C) as a predictor of abiotic stresses in plants, considering only drought and nitrogen deficiency without further investigating the impact of other nutrient deficiencies, that is, phosphorus (P) and/or iron (Fe) deficiencies. To fill this knowledge gap, we assessed the δ13C of barley (Hordeum vulgare L.), cucumber (Cucumis sativus L.), maize (Zea mays L.), and tomato (Solanum lycopersicon L.) plants suffering from P, Fe, and combined P/Fe deficiencies during a two-week period using an isotope-ratio mass spectrometer. Simultaneously, plant physiological status was monitored with an infra-red gas analyzer. Results show clear contrasting time-, treatment-, species-, and tissue-specific variations. Furthermore, physiological parameters showed limited correlation with δ13C shifts, highlighting that the plants' δ13C, does not depend solely on photosynthetic carbon isotope fractionation/discrimination (Δ). Hence, the use of δ13C as a predictor is highly discouraged due to its inability to detect and discern different nutrient stresses, especially when combined stresses are present.

Unravelling the seasonal dynamics of the metabolome of white asparagus spears using untargeted metabolomics.

INTRODUCTION: The white asparagus season lasts 4 months while the harvest period per field is 8 weeks. Different varieties are better suited for harvesting early or late in the season. Little is known of the dynamics of secondary metabolites of white asparagus during the production season. OBJECTIVE: Characterization of the metabolome of white asparagus spears covering volatile and non-volatile composition in relation to quality aspects. METHODS: Eight varieties, harvested repeatedly during two consecutive seasons were analysed following an untargeted metabolomics workflow using SPME GC-MS and LC-MS. Linear regression, cluster and network analyses were used to explore the profile dynamics, unravel patterns and study the influence of genotype and environment. RESULTS: The metabolite profiles were influenced by the harvest moment and genetic background. Metabolites that significantly changed over time were distributed across seven clusters based on their temporal patterns. Two clusters including monoterpenes, benzenoids and saponins showed the most prominent seasonal changes. The changes depicted by the other five clusters were mainly ≤ 2-fold relative to the harvest start. Known asparagus aroma compounds were found to be relatively stable across the season/varieties. Heat-enhanced cultivation appeared to yield spears early in season with a similar metabolome to those harvested later. CONCLUSION: The dynamics of the white asparagus metabolome is influenced by a complex relationship between the onset of spear development, the moment of harvest and the genetic background. The typical perceived asparagus flavour profile is unlikely to be significantly affected by these dynamics.

Metabolomics and sensory evaluation of white asparagus ingredients in instant soups unveil important (off-)flavours.

Split-stream processing of asparagus waste stream is a novel approach to produce spray-dried powder and fibre. Asparagus ingredients processed by this method and a commercial asparagus powder were compared by evaluating their flavour profile in a soup formulation. Professional sensory panel and untargeted metabolomics approaches using GC-MS and LC-MS were carried out. Unsupervised and supervised statistical analyses were performed to highlight discriminatory metabolites and correlate these to sensory attributes. The spray-dried powder scored higher on asparagus flavour compared to the commercial powder. The fibre negatively impacted the taste and mouthfeel of the soups. GC-O-MS confirmed the role of dimethyl sulphide, 2-methoxy-3-isopropyl pyrazine and 2-methoxy-3-isobutyl pyrazine in asparagus odour. Seven new volatile compounds are also proposed to contribute to asparagus flavour notes, most of which were more abundant in the spray-dried powder. This research demonstrates the feasibility of upcycling asparagus waste streams into flavour-rich ingredients with good sensorial properties.

How Individuals Use Metaphors to Negotiate Fertility Treatment Decision-Making with Their Romantic Partners.

Fertility problems, or the inability to conceive or carry a pregnancy to term for a period of over 12 months while engaging in unprotected sex, affects 12% of women and 9% of men of childbearing age. To answer calls for more research about individuals' fertility decision-making (DM) with their partners, we conducted in-depth, semi-structured interviews with 53 individuals who have experienced fertility decision-making with a romantic partner at some point in their lives. Our findings indicate at least three primary ways individuals and their partners navigated their decision-making communication in their infertility "journeys:" (1) the Driver-Navigator, (2) Driver-Passenger, and (3) Driver-Backseat Driver approaches. All decision-making communication approaches were viewed by individuals as collaborative (i.e. shared), but varied in degrees of "togetherness" (high, moderate, low) in how they communicated with each other about treatment decisions. Implications include helping couples and their clinicians to be aware of their DM approach(es) and offering alternative DM approaches based on understanding how and why certain approaches may (not) be effective in addressing goals, needs, and identities.

Effect of drying treatments on the global metabolome and health-related compounds in tomatoes.

Drying fruits and vegetables is a long-established preservation method, and for tomatoes, in most cases sun-drying is preferred. Semi-drying is relatively a new application aimed to preserve better the original tomato properties. We have assessed the effects of different drying methods on the phytochemical variation in tomato products using untargeted metabolomics and targeted analyses of key compounds. An LC-MS approach enabled the relative quantification of 890 mostly semi-polar secondary metabolites and GC-MS analysis in the relative quantification of 270 polar, mostly primary metabolites. Metabolite profiles of sun-dried and oven-dried samples were clearly distinct and temperature-dependent. Both treatments caused drastic changes in lycopene and vitamins with losses up to > 99% compared to freeze-dried controls. Semi-drying had less impact on these compounds. In vitro bioaccessibility analyses of total phenolic compounds and antioxidants in a gastrointestinal digestion protocol revealed the highest recovery rates in semi-dried fruits. Semi-drying is a better way of preserving tomato phytochemicals, based on both composition and bioaccessibility results.

Flavor Profiling Using Comprehensive Mass Spectrometry Analysis of Metabolites in Tomato Soups.

Trained sensory panels are regularly used to rate food products but do not allow for data-driven approaches to steer food product development. This study evaluated the potential of a molecular-based strategy by analyzing 27 tomato soups that were enhanced with yeast-derived flavor products using a sensory panel as well as LC-MS and GC-MS profiling. These data sets were used to build prediction models for 26 different sensory attributes using partial least squares analysis. We found driving separation factors between the tomato soups and metabolites predicting different flavors. Many metabolites were putatively identified as dipeptides and sulfur-containing modified amino acids, which are scientifically described as related to umami or having "garlic-like" and "onion-like" attributes. Proposed identities of high-impact sensory markers (methionyl-proline and asparagine-leucine) were verified using MS/MS. The overall results highlighted the strength of combining sensory data and metabolomics platforms to find new information related to flavor perception in a complex food matrix.

Effect of food processing on antioxidants, their bioavailability and potential relevance to human health.

It has long been recognized that the antioxidants present in fresh plant materials may be very different to those we ingest via our foods. This is often due to the use of food processing strategies involving thermal/non-thermal treatments. Current research mostly focuses on determining what is present in vegetative starting materials; how this is altered during processing; how this influences activity in the gut and following uptake into bloodstream; and which in vivo physiological effects this may have on human body. Having a better understanding of these different steps and their importance in a health-and-nutrition-context will place us in a better position to breed for improved crop varieties and to advise the food industry on how to optimize processing strategies to enhance biochemical composition of processed foods. This review provides an overview of what is currently known about the influence which food processing treatments can have on antioxidants and gives some pointers as to their potential relevance.

High-throughput plant phenotyping: a role for metabolomics?

High-throughput (HTP) plant phenotyping approaches are developing rapidly and are already helping to bridge the genotype-phenotype gap. However, technologies should be developed beyond current physico-spectral evaluations to extend our analytical capacities to the subcellular level. Metabolites define and determine many key physiological and agronomic features in plants and an ability to integrate a metabolomics approach within current HTP phenotyping platforms has huge potential for added value. While key challenges remain on several fronts, novel technological innovations are upcoming yet under-exploited in a phenotyping context. In this review, we present an overview of the state of the art and how current limitations might be overcome to enable full integration of metabolomics approaches into a generic phenotyping pipeline in the near future.

Coffee berry and green bean chemistry - Opportunities for improving cup quality and crop circularity.

Coffee cup quality is primarily determined by the type and variety of green beans chosen and the roasting regime used. Furthermore, green coffee beans are not only the starting point for the production of all coffee beverages but also are a major source of revenue for many sub-tropical countries. Green bean quality is directly related to its biochemical composition which is influenced by genetic and environmental factors. Post-harvest, on-farm processing methods are now particularly recognised as being influential to bean chemistry and final cup quality. However, research on green coffee has been limited and results are fragmented. Despite this, there are already indications that multiple factors play a role in determining green coffee chemistry - including plant cultivation/fruit ripening issues and ending with farmer practices and post-harvest storage conditions. Here, we provide the first overview of the knowledge determined so far specifically for pre-factory, green coffee composition. In addition, the potential of coffee waste biomass in a biobased economy context for the delivery of useful bioactives is described as this is becoming a topic of growing relevance within the coffee industry. We draw attention to a general lack of consistency in experimentation and reporting and call for a more intensive and united effort to build up our knowledge both of green bean composition and also how perturbations in genetic and environmental factors impact bean chemistry, crop sustainability and ultimately, cup quality.

Analyses of metabolic activity in peanuts under hermetic storage at different relative humidity levels.

Peanuts are transported by ship from production regions to all across the globe. Quality problems are frequently encountered due to increased levels of free fatty acids (FFAs) and a decline in organoleptic quality through lipid oxidation occurring during transport and storage. We studied the role of moisture (water activity, aw) in interaction with 87 days hermetic storage under air or nitrogen gas. Upon storage with air, some lipid oxidation was observed at water activity levels below 0.73. FFA levels increased at water activity levels above 0.73 and fungi proliferated at water activities above 0.80. Lipid oxidation, an increase in FFA levels and fungal growth were not observed after storage under nitrogen gas. It can be concluded that peanut storage and transport under anoxia can strongly reduce quality losses.

Metabolomics Reveals Heterogeneity in the Chemical Composition of Green and White Spears of Asparagus (A. officinalis).

Green and white asparagus are quite different crops but can be harvested from the same plant. They have distinct morphological differences due to their mode of cultivation and they are characterised by having contrasting appearance and flavour. Significant chemical differences are therefore expected. Spears from three varieties of both green and white forms, harvested in two consecutive seasons were analysed using headspace GC-MS and LC-MS with an untargeted metabolomic workflow. Mainly C5 and C8 alcohols and aldehydes, and phenolic compounds were more abundant in green spears, whereas benzenoids, monoterpenes, unsaturated aldehydes and steroidal saponins were more abundant in white ones. Previously reported key asparagus volatiles and non-volatiles were detected at similar or not significantly different levels in the two asparagus types. Spatial metabolomics revealed also that many volatiles with known positive aroma attributes were significantly more abundant in the upper parts of the spears and showed a decreasing trend towards the base. These findings provide valuable insights into the metabolome of raw asparagus, the contrasts between green and white spears as well as the different chemical distributions along the stem.

Systematic selection of competing metabolomics methods in a metabolite-sensory relationship study.

INTRODUCTION: The relationship between the chemical composition of food products and their sensory profile is a complex association confronting many challenges. However, new untargeted methodologies are helping correlate metabolites with sensory characteristics in a simpler manner. Nevertheless, in the pilot phase of a project, where only a small set of products are used to explore the relationships, choices have to be made about the most appropriate untargeted metabolomics methodology. OBJECTIVE: To provide a framework for selecting a metabolite-sensory methodology based on: the quality of measurements, the relevance of the detected metabolites in terms of distinguishing between products or in terms of whether they can be related to the sensory attributes of the products. METHODS: In this paper we introduce a systematic approach to explore all these different aspects driving the choice for the most appropriate metabolomics method. RESULTS: As an example we have used a tomato soup project where the choice between two sampling methods (SPME and SBSE) had to be made. The results are not always consistently pointing to the same method as being the best. SPME was able to detect metabolites with a better precision, SBSE seemed to be able to provide a better distinction between the soups. CONCLUSION: The three levels of comparison provide information on how the methods could perform in a follow up study and will help the researcher to make a final selection for the most appropriate method based on their strengths and weaknesses.

Mass spectrometry-based metabolomics: a guide for annotation, quantification and best reporting practices.

Mass spectrometry-based metabolomics approaches can enable detection and quantification of many thousands of metabolite features simultaneously. However, compound identification and reliable quantification are greatly complicated owing to the chemical complexity and dynamic range of the metabolome. Simultaneous quantification of many metabolites within complex mixtures can additionally be complicated by ion suppression, fragmentation and the presence of isomers. Here we present guidelines covering sample preparation, replication and randomization, quantification, recovery and recombination, ion suppression and peak misidentification, as a means to enable high-quality reporting of liquid chromatography- and gas chromatography-mass spectrometry-based metabolomics-derived data.

Stir bar sorptive extraction of aroma compounds in soy sauce: Revealing the chemical diversity.

Fermented soy sauce is used worldwide to enhance the flavour of many dishes. Many types of soy sauce are on the market, and their differences are mostly related to the country of origin, the production process applied and the ratio of ingredients used. Consequently, several aromas, tastes, colours, and textures are obtained. Nowadays, soy sauce can also be produced without microorganisms making the process shorter and cheaper. However, flavour may be lost. We have carried out a comprehensive metabolomics analysis of volatile compounds using stir bar sorptive extraction (SBSE)-GC-MS to relate differences in volatile content to production history and origin. The results revealed major differences between fermented and non-fermented soy sauces, and a list of volatile compounds is reported as being characteristic of each type. This study was able to relate volatiles to the production process using SBSE-GC-MS and to aroma characteristics using GC-O-MS.

The effect of partial replacement of maltodextrin with vegetable fibres in spray-dried white asparagus powder on its physical and aroma properties.

Asparagus concentrate was spray-dried in different carrier formulations in which maltodextrin was partially replaced by cellulose-based carriers, i.e. asparagus fibre, citrus fibre or microcrystalline cellulose. This replacement was limited to a maximum level of 3% w/w for asparagus and citrus fibres, and 10% w/w for microcrystalline cellulose, due to fibre insolubility and increased viscosity of the feed. Powders obtained from feed solutions with an initial solids content of 40% w/w showed better physical properties and aroma retention than 30% w/w. Partial replacement of maltodextrin by cellulose-based carriers resulted in powders with similar physical properties as the control and did not detrimentally influence the aroma profiles as analyzed by headspace solid-phase microextraction and gas chromatography-mass spectrometry. This research shows that fibre obtained from asparagus waste streams could potentially be used as a carrier to produce spray-dried asparagus powder with retained key asparagus volatiles such as 2-methoxy-3-isopropyl pyrazine.

Towards superior plant-based foods using metabolomics.

Metabolomics is proving a useful approach for many of the main future goals in agronomy and food production such as sustainability/crop resilience, food quality, safety, storage, and nutrition. Targeted and/or untargeted small-molecule analysis, coupled to chemometric analysis, has already unveiled a great deal of the complexity of plant-based foods, but there is still 'dark matter' to be discovered. Moreover, state-of-the-art food metabolomics offers insights into the molecular mechanisms underlying sensorial and nutritional characteristics of foods and thus enables higher precision and speed. This review describes recent applications of food metabolomics from fork to farm and focuses on the opportunities these bring to continue food innovation and support the shift to plant-based foods.

Chemical and Sensory Characteristics of Soy Sauce: A Review.

Soy sauce is a fermented product, and its flavor is a complex mixture of individual senses which, in combination, create a strong palatable condiment for many Eastern and Western dishes. This Review focuses on our existing knowledge of the chemical compounds present in soy sauce and their potential relevance to the flavor profile. Taste is dominated by umami and salty sensations. Free amino acids, nucleotides, and small peptides are among the most important taste-active compounds. Aroma is characterized by caramel-like, floral, smoky, malty, and cooked potato-like odors. Aroma-active volatiles are chemically diverse including acids, alcohols, aldehydes, esters, furanones, pyrazines, and S-compounds. The origin of all compounds relates to both the raw ingredients and starter cultures used as well as the parameters applied during production. We are only just starting to help develop innovative studies where we can combine different analytical platforms and chemometric analysis to link flavor attributes to chemical composition.

Amicus cum Laude: Ethnodramatic Inquiry Regarding Sharing Mental Health in College.

In this manuscript, I utilize an ethnodramatic methodology in reanalyzing two data sets about college friends disclosing and receiving mental health-related information. After describing ethnodrama and how this methodology applies to mental health-related inquiry, I detail my process of creating an ethnodrama from two extant data sets. The result is an ethnodrama called Amicus cum Laude: Becoming a Friend with Honor for Mental Illness, a one-act play about how friends discuss mental health issues with one another. After providing the ethnodrama, I offer recommendations for taking the ethnodrama from page to stage while reflecting on and critiquing the final product.

Comparison of volatile trapping techniques for the comprehensive analysis of food flavourings by Gas Chromatography-Mass Spectrometry.

Trapping volatiles is a convenient way to study aroma compounds but it is important to determine which volatile trapping method is most comprehensive in extracting the most relevant aroma components when investigating complex food products. Awareness of their limitations is also crucial. (Un)targeted metabolomic approaches were used to determine the volatile profiles of two commercial flavourings. Four trapping techniques were tested as was the addition of salt to the mixture. Comprehensiveness and repeatability were compared and SBSE proved particularly suitable for extracting components such as polysulfides, pyrazines and terpene alcohols, and provided an overall broader chemical spectrum. SPME proved to be more suitable in extracting sesquiterpenes and DHS in extracting monoterpenes. Adding salt to the sample had only quantitative effects on volatiles as detected by SPME. These results help clarify the advantages and limitations of different trapping techniques and hence deliver a valuable decision tool for food matrix analysis.

Comparative Metabolomics and Molecular Phylogenetics of Melon (Cucumis melo, Cucurbitaceae) Biodiversity.

The broad variability of Cucumis melo (melon, Cucurbitaceae) presents a challenge to conventional classification and organization within the species. To shed further light on the infraspecific relationships within C. melo, we compared genotypic and metabolomic similarities among 44 accessions representative of most of the cultivar-groups. Genotyping-by-sequencing (GBS) provided over 20,000 single-nucleotide polymorphisms (SNPs). Metabolomics data of the mature fruit flesh and rind provided over 80,000 metabolomic and elemental features via an orchestra of six complementary metabolomic platforms. These technologies probed polar, semi-polar, and non-polar metabolite fractions as well as a set of mineral elements and included both flavor- and taste-relevant volatile and non-volatile metabolites. Together these results enabled an estimate of "metabolomic/elemental distance" and its correlation with the genetic GBS distance of melon accessions. This study indicates that extensive and non-targeted metabolomics/elemental characterization produced classifications that strongly, but not completely, reflect the current and extensive genetic classification. Certain melon Groups, such as Inodorous, clustered in parallel with the genetic classifications while other genome to metabolome/element associations proved less clear. We suggest that the combined genomic, metabolic, and element data reflect the extensive sexual compatibility among melon accessions and the breeding history that has, for example, targeted metabolic quality traits, such as taste and flavor.