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New interspecific hybrid hazelnut crosses between American (Corylus americana) and European (Corylus avellana) hazelnuts are being developed to support a commercial industry in the Midwest region of the United States. In this study, volatile compounds that impact consumer aroma liking of roasted hybrid hazelnuts (C. americana × C. avellana) were investigated by targeted and nontargeted GC/MS flavoromics. Chemical profiles from 10 roasted hybrid hazelnut samples were modeled with consumer aroma liking scores by orthogonal partial least-squares with good fit and predictive performance (R2 ≥ 0.92, Q2 ≥ 0.82, RMSECV = 0.2). Top ranked predictors positively correlated with liking included 12 aroma compounds and 4 profiled volatiles for the targeted and nontargeted methods, respectively. Sensory recombination testing of hazelnut samples with addition of the 12 predictive odorants was preferred by consumers (p < 0.001, Δ aroma liking = 2.2 on 9-point scale) and perceived as more roasty, nutty, and sweet compared to the control (p < 0.05). Addition of the 4 predictive volatiles at subthreshold levels also was preferred (p = 0.02) and perceived as less earthy and mushroom like than the control (p < 0.05).

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A protein hydrolysate of goat viscera added with xylose, cysteine, and thiamine under different pH was used to prepare a meat flavoring. Goat viscera hydrolysate and flavoring were subjected to analysis of physicochemical characteristics, amino acid profile, sugars, fatty acids, and volatile profile. Meat aroma characteristics were initiated in the hydrolysate, in which Strecker's pyrazines and aldehydes were identified, which also had fatty acids and amino acids available for the formation of 96 volatile compounds in the flavorings via lipid manipulation, Maillard occurrence, Strecker manipulation and interactions among these means. Maillard reaction products with intense meat aroma, such as 2-methyl-3-furanthiol, 2-furfurylthiol and, bis(2-methyl-3-furyl) disulfide were isolated only in the flavoring at pH 4. In contrast, the flavoring at pH 6 showed a higher concentration than all the other compounds, providing a lower meat characteristic, but an intense sweet, fatty and goat aroma.

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Introduction: Putative mutants were generated through gamma irradiation in the polyembryonic mango genotype Nekkare. The putative mutant progenies along with control seedlings and mother plants were evaluated by comparing the compositions and relative proportions of their major volatile compounds. Methods: Volatile profiling was done using headspace-solid phase micro-extraction (HS SPME) method coupled with gas chromatography-mass spectrometry (GC-MS MS). Furthermore, characterisation of putative mutants and control seedlings was carried out using simple sequence repeat (SSR) markers to ascertain the genetic diversity present in the samples under study. Results: Monoterpenes were the most abundant volatile compound in all the studied samples (ranging from 34.76% to 91.41%) out of which I-Phellandrene and cis-Ocimene formed the major fraction in mother plants (20.45%-21.86% and 16.17%-21.27%, respectively) and control seedlings (23.32%-24.95% and 18.95%-20.81%, respectively), while beta-Phellandrene was dominant in the selected putative mutant samples (2.34%-29.53%). Among sesquiterpenes, trans-Caryophyllene was detected only in the putative mutant samples (0.10%-30.18%). Grouping together of mother plants and control seedlings was seen in the cluster analysis, while the putative mutants grouped apart from them suggesting genetic diversity. Genetic distance between the mother plants and control seedlings ranged from 0.97 to 2.73, while between putative mutants, control seedlings, and mother plants, it ranged from 6.54 to 9.82. SSR-based characterisation of putative mutant seedlings showed that mutation caused variability in the treated population. This was evident from the high allelic richness ranging from 4 to 12 with a mean of 7 and a higher mean Shannon's Information Index (1.50) of the putative mutant population. Discussion: The study demonstrates that volatile profiling and molecular characterisation using SSR markers could be used as a tool to detect variation in a mutated population. In addition, volatile profiling can be used to validate putative mutants in polyembryonic mango genotypes where the seedlings of nucellar origin are similar to mother plants.

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The goal of this study was to assess nutrient primary metabolites and aroma determinants in Prunus armeniaca L. fruits and seed kernels grown in Egypt represented by its different cultivars and agricultural conditions i.e., two different soil types (muddy versus sandy). Two techniques were employed to assess non-volatile and volatile metabolites using gas chromatography mass-spectrometry (GC-MS) post silylation, and headspace solid-phase micro-extraction (HS-SPME) coupled GC-MS, respectively. A total of 36 peaks belonging to sugars, fatty acids/esters and organic acids were identified by GC-MS in various apricot fruits and seed kernels cultivars. Glucose and sucrose were enriched in apricot fruits compared to the seed kernels. A total of 70 volatiles were identified, with lactones, alcohols and esters representing the main classes of apricot volatiles accounting for its discrete aroma. (E)-Anethole, ß-ionone, γ-decanolactone and methyl palmitate were the major peaks contributing to the discrimination between various fruit cultivars and providing novel insight on apricot metabolome.

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Mahlab cherry (Prunus mahaleb L.) is a plant native to the Mediterranean basin and Eastern Europe, with several health benefits and culinary uses. We explored the compositional heterogeneity in the aroma profile and nutrients of three P. mahaleb seeds in the context of its cultivar type, i.e., white and red, and in response to roasting. A holistic untargeted metabolomics approach was employed for the first time using solid-phase microextraction (SPME-GC-MS) profiles of seed volatiles and primary metabolites coupled with chemometrics. Around 65 peaks belonging to sugars, fatty acids, esters and organic acids were identified by GC-MS. White mahlab from Egypt is rich in fatty acids, e.g., oleic and α-linolenic acids. Some acyl esters, e.g., glycerylmonostearate and n-butylcaprylate, characterized mahlab cultivars from various origins. A total of 135 volatiles were identified, with organic acids and aldehydes the most abundant. Aldehydes were the most discriminatory in seed origin and in accounting for its distinct aroma. Several roasting indices were identified, viz. 1-octanol, γ-caprolactone and isomintlactone. A direct relationship between furans and fatty acids was rationalized by cyclic transformation of the latter into furan derivatives. This study provides the first chemical evidence supporting the nutritional and flavor determinants of mahlab seeds, suggesting novel uses as a functional food.

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Recently, we proposed a new sample preparation method involving reduced solvent and sample usage, based on dehydration homogeneous liquid-liquid extraction (DHLLE) for the screening of volatiles and semi-volatiles from honey. In the present research, the method was applied to a wide range of honeys (21 different representative unifloral samples) to determine its suitability for detecting characteristic honey compounds from different chemical classes. GC-FID/MS disclosed 130 compounds from different structural and chemical groups. The DHLLE method allowed the extraction and identification of a wide range of previously reported specific and nonspecific marker compounds belonging to different chemical groups (including monoterpenes, norisoprenoids, benzene derivatives, or nitrogen compounds). For example, DHLLE allowed the detection of cornflower honey chemical markers: 3-oxo-retro-α-ionols, 3,4-dihydro-3-oxoedulan, phenyllactic acid; coffee honey markers: theobromine and caffeine; linden honey markers: 4-isopropenylcyclohexa-1,3-diene-1-carboxylic acid and 4-(2-hydroxy-2-propanyl)cyclohexa-1,3-diene-1-carboxylic acid, as well as furan derivatives from buckwheat honey. The obtained results were comparable with the previously reported data on markers of various honey varieties. Considering the application of much lower volumes of very common reagents, DHLLE may provide economical and ecological advantages as an alternative sample preparation method for routine purposes.

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Dyssodia decipiens is one of the seven recognized species within the Dyssodia genus, which has economic and social relevance in Mexico. Herein, we report on the volatile characterization and pharmacological activity of D. decipiens. The essential oils (2017-2019) contained verbenone (30.8-60.9 %), limonene (5.6-35.5 %), ß-caryophyllene (7.8-19.8 %) and linalool (4.5-12.4 %) as major constituents along the studied years. Antifungal properties were probed on Candida albicans ATCC 90028, ATCC 10231 (fluconazole resistant) and five clinical isolates (IS1-IS5). Flower essential oils had the best anti-C. albicans activity (MIC 59.2-93.5 µg mL-1 ), and limonene (MIC 125.5-188.4 µg mL-1 ) and ß-caryophyllene (MIC 104.3-184.2 µg mL-1 ) were involved in this effect. SEM examination revealed that D. decipiens essential oils produced an evident lysis on the fungus. Mosquito repellent activity was demonstrated on Aedes aegypti, a vector of dengue, chikungunya and zika viruses. The repellent activity of leaf essential oils (20 %) was effective within 1-5 h post-treatment (>90 %) and it was stronger (p<0.01) than that of commercial DEET. The evaluation of the four major volatiles (10 % each) produced similar results to those of essential oils. Finally, leaf essential oils showed a moderate antiproliferative activity on the lines OVCAR-3 (LD50 56.5-85.7 µg mL-1 ), and verbenone (LD50 65.3 µg mL-1 ) and ß-caryophyllene (LD50 43.6 µg mL-1 ) were linked to this effect.

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Pelargonium graveolens is a wild predecessor to rose-scented geranium hybrids prized for their essential oils used as fragrances and flavorings. However, little is known about their biosynthesis. Here we present metabolic evidence that at least two distinct monoterpene biosynthetic pathways contribute to their volatile profiles, namely, cyclic p-menthanes such as (-)-isomenthone and acyclic monoterpene alcohols such as geraniol and (-)-citronellol and their derivatives (referred to here as citronelloid monoterpenes). We established their common origin via the 2C-methyl-d-erythritol-4-phosphate pathway but found no indication these pathways share common intermediates beyond geranyl diphosphate. Untargeted volatile profiling of 22 seed-grown P. graveolens lines demonstrated distinct chemotypes that preferentially accumulate (-)-isomenthone, geraniol, or (-)-citronellol along with approximately 85 minor volatile products. Whole plant 13CO2 isotopic labeling performed under physiological conditions permitted us to measure the in vivo rates of monoterpenoid accumulation in these lines and quantify differences in metabolic modes between chemotypes. We further determined that p-menthane monoterpenoids in Pelargonium are likely synthesized from (+)-limonene via (+)-piperitone rather than (+)-pulegone. Exploitation of this natural population enabled a detailed dissection of the relative rates of competing p-menthane and citronelloid pathways in this species, providing real time rates of monoterpene accumulation in glandular trichomes.

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In this work, oxidation assessment of vegetable and marine oils was performed based on their quantitative volatile profile and data analysis by 3-way partial least square chemometrics. Classification models were obtained using broad-spectrum isotopically labelled standards on the analysis of 25 volatile compounds from omega-3 fatty acid (FA) degradation by headspace solid phase microextraction gas chromatography time-of-flight mass spectrometry. Our oxidomic approach was performed on edible oils that differed in their origin (marine or vegetable) and in their omega-3 FA profile. In order to achieve a 3D matrix, every oil was oxidized at 6 different time-points. The obtained models classified edible oils according to their volatile degradation pattern. Oxidation of eicosapentaenoic/docosahexaenoic FA was mainly related to 2-propenal, butanal and 2-ethylfuran while α-linolenic acid oxidation was linked to 1-hydroxy-2-butanone and 5-ethyl-2(5H)-furanone. The present research provides valuable information on the degradation differences of omega-3 oils and proposes specific oxidation markers that could be used to ensure their quality assurance and avoid intentional adulterations.

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Immature coffee cherries produce roast coffees with lower hedonic scores than those produced from mature cherries, but variation in volatile and sensory characteristics over a range of maturities is not well studied. In this work, cherries from two coffee cultivars (Caturra, Catimor) were sorted into seven maturity stages from fully immature (Stage 1, green) to fully overripe (Stage 7, purple). Volatile profiles of Stage 1 roast coffee had lower concentrations of carbohydrate degradation products and higher concentrations of N-heterocycles and phenols. Differences in volatiles among Stage 2 (partially immature, yellow-green) and subsequent stages were insignificant (p > 0.05) or else minor. Principle component analysis of the volatile data set also distinguished Stage 1 from other stages. Similarly, a trained cupping panel reported significantly lower sensory scores for Stage 1 as compared to Stages 2-7, but few differences among Stages 2-7. Thus, partially mature and overripe cherries may be appropriate for specialty coffee.

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Whey acerola-flavoured drink was subjected to Ohmic Heating (OH) under different operational conditions (45, 60, 80 V at 60 Hz and 10, 100, 1000 Hz with 25 V, 65 °C/30 min) and conventional pasteurization (65 °C/30 min). Bioactive compounds (total phenolics, DPPH, FRAP, ACE levels), fatty acid profile, volatile compounds (CG-MS), thermal behaviors (DSC) and water mobility (TD-NMR) were performed. Reduction of frequency (1000-10 Hz) resulted in a lower bioactive compounds and antioxidant capacity of the samples, except for the DPPH values. Concerning the thermal behaviors, fatty acids profile and volatile compounds, different findings were observed as a function of the parameters used (voltage and frequency). In respect of TD-NMR parameters, OH led to a slightly reduction of the relaxation time when compared to the conventional treatment, suggesting more viscous beverages. Overall, OH may be interesting option to whey acerola-flavoured drink processing.

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The use of Ohmic Heating (OH) for sweet whey processing was investigated in this study. Whey samples were subjected to both different OH parameters (2, 4, 5, 7 and 9 V·cm-1 at 60 Hz, up to 72-75 °C/15 s) and conventional processing (72-75 °C/15 s). Physicochemical analyses (pH), color measurements (L*, a*, b*), rheological properties (flow curves and particle size distribution), microstructure (optical microscopy), bioactive compounds (ACE and antioxidant capacity), microbiological characterization (mesophilic bacteria, total coliforms, and thermotolerant coliforms), water mobility (TD-magnetic resonance domain), and sensory evaluation (descriptive analysis) were carried out. The OH effects on sweet whey characteristics depended on the applied electric field intensity. Higher saturation, higher color variation (ΔE*), and higher luminosity (L*) were observed in low electric fields. For bioactive compounds, the increase of the electric field negatively affected the preservation of the antioxidant capacity and the ACE Inhibitory Activity of bioactive peptides. OH and conventional samples exhibited a pseudo-plastic behavior (n < 1). OH performed at 4 and 5 V·cm-1 was able to provide similar levels of sensory profile and higher volatile compounds levels. The results suggested the OH technology as an interesting alternative to whey processing.

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The fermentation products of Cordyceps sinensis (C. sinensis) mycelia are sustainable substitutes for natural C. sinensis. However, the volatile compositions of the commercial products are still unclear. In this paper, we have developed a simultaneous distillation-extraction (SDE) and gas chromatography-mass spectrometry (GC-MS) method for the profiling of volatile components in five fermentation products. A total of 64, 39, 56, 52, and 44 components were identified in the essential oils of Jinshuibao capsule (JSBC), Bailing capsule (BLC), Zhiling capsule (ZLC), Ningxinbao capsule (NXBC), and Xinganbao capsule (XGBC), respectively. 5,6-Dihydro-6-pentyl-2H-pyran-2-one (massoia lactone) was first discovered as the dominant component in JSBC volatiles. Fatty acids including palmitic acid (C16:0) and linoleic acid (C18:2) were also found to be major volatile compositions of the fermentation products. The multivariate partial least squares-discriminant analysis (PLS-DA) showed a clear discrimination among the different commercial products as well as the counterfeits. This study may provide further chemical evidences for the quality evaluation of the fermentation products of C. sinensis mycelia.

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Various commercial tomato juices with different flavors are available at markets worldwide. To clarify the marker compounds related to the flavor characteristics of tomato juice, we analyzed 15 pure commercial tomato juices by a combination of volatile profiling and sensory evaluation. The correlations among volatiles and the relationship between volatiles and sensory descriptors were elucidated by multivariate analyses. Consequently, the tomato juices made from fresh market tomatoes (including the popular Japanese tomato variety "Momotaro") were clearly separated from other juices made from processing tomatoes, by both the volatile composition and sensory profiles. cis-3-Hexenol, hexanal, and apocarotenoids negatively contributed to the juices from fresh market tomatoes, whereas Strecker aldehydes and furfural showed positive contributions to the juices. Accordingly, the sensory characteristics of juices from fresh market tomatoes were related to cooked and fruity flavors but not to green or fresh notes.

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Volatile profiles of 63 black and 38 green teas from different countries were analysed with Proton Transfer Reaction-Time of Flight-Mass Spectrometry (PTR-ToF-MS) both for tea leaves and tea infusion. The headspace volatile fingerprints were collected and the tea classes and geographical origins were tracked with pattern recognition techniques. The high mass resolution achieved by ToF mass analyser provided determination of sum formula and tentative identifications of the mass peaks. The results provided successful separation of the black and green teas based on their headspace volatile emissions both from the dry tea leaves and their infusions. The volatile fingerprints were then used to build different classification models for discrimination of black and green teas according to their geographical origins. Two different cross validation methods were applied and their effectiveness for origin discrimination was discussed. The classification models showed a separation of black and green teas according to geographical origins the errors being mostly between neighbouring countries.

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Hybrid Lilium (common name lily) cultivars are among the top produced domestic fresh cut flowers and potted plants in the US today. Many hybrid Lilium cultivars produce large and showy flowers that emit copious amounts of volatile molecules, which can negatively affect a consumer's appreciation or limit use of the plant product. There are few publications focused on the biochemistry, genetics, and/or molecular regulation of floral volatile biosynthesis for Lilium cultivars. In an initial pursuit to provide breeders with molecular markers for floral volatile biosynthesis, a total of five commercially available oriental and oriental-trumpet hybrid Lilium cultivars were selected for analytical characterization of floral volatile emission. In total, 66 volatile molecules were qualified and quantitated among all cultivars. Chemical classes of identified volatiles include monoterpene hydrocarbons, monoterpene alcohols and aldehydes, phenylpropanoids, benzenoids, fatty-acid-derived, nitrogen-containing, and amino-acid-derived compounds. In general, the floral volatile profiles of the three oriental-trumpet hybrids were dominated by monoterpene hydrocarbons, monoterpene alcohols and aldehydes, while the two oriental hybrids were dominated by monoterpene alcohols and aldehydes and phenylpropanoids, respectively. Tepal tissues (two petal whirls) emitted the vast majority of total volatile molecules compared to the reproductive organs of the flowers. Tepal volatile profiles were cultivar specific with a high degree of distinction, which indicates the five cultivars chosen will provide an excellent differential genetic environment for gene discovery through comparative transcriptomics in the future. Cloning and assaying transcript accumulation from four floral volatile biosynthetic candidates provided few immediate or obvious trends with floral volatile emission.

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The aroma profile of beer is crucial for its quality and consumer acceptance, which is modu-lated by a network of variables. The main goal of this study was to optimize solid-phase microextraction experimental parameters (fiber coating, extraction temperature, and time), taking advantage of the comprehensive two-dimensional gas chromatography structured separation. As far as we know, it is the first time that this approach was used to the untargeted and comprehensive study of the beer volatile profile. Decarbonation is a critical sample preparation step, and two conditions were tested: static and under ultrasonic treatment, and the static condition was selected. Considering the conditions that promoted the highest extraction efficiency, the following parameters were selected: poly(dimethylsiloxane)/divinylbenzene fiber coating, at 40ºC, using 10 min of pre-equilibrium followed by 30 min of extraction. Around 700-800 compounds per sample were detected, corresponding to the beer volatile profile. An exploratory application was performed with commercial beers, using a set of 32 compounds with reported impact on beer aroma, in which different patterns can be observed through the structured chromatogram. In summary, the obtained results emphasize the potential of this methodology to allow an in-depth study of volatile molecular composition of beer.

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BACKGROUND: Fragaria chiloensis (L.) Mill spp. chiloensis form chiloensis, is a strawberry that produces white fruits with unique aromas. This species, endemic to Chile, is one of the progenitors of Fragaria x ananassa Duch. In order to identify the volatile compounds that might be responsible for aroma, these were extracted, and analyzed by gas chromatography-mass spectrometry (GC-MS), gas chromatography-olfactometry (GC-O) and compared with sensory analyses. RESULTS: Three methods of extraction were used: solvent-assisted evaporation (SAFE), headspace solid phase micro-extraction (HS-SPME) and liquid-liquid extraction (LLE). Ninety-nine volatile compounds were identified by GC-MS, of which 75 showed odor activity using GC-O. Based on the highest dilution factor (FD = 1000) and GC-O intensity ≥2, we determined 20 major compounds in white strawberry fruit that contribute to its aroma. We chose 51 compounds to be tested against their commercial standards. The identities were confirmed by comparison of their linear retention indices against the commercial standards. The aroma of white strawberry fruits was reconstituted with a synthetic mixture of most of these compounds. CONCLUSION: The volatile profile of white strawberry fruit described as fruity, green-fresh, floral, caramel, sweet, nutty and woody will be a useful reference for future strawberry breeding programs.

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