Headspace Solid-phase Microextraction-gas Chromatography-mass Spectrometry Research Articles

Characteristic of phenotype, amino acids and volatile compounds for fresh tea leaves of Korean tea cultivars (Camellia sinensis (L.) O. Kuntze)

Tea (Camellia sinensis (L.) O. Kuntze) is a popular beverage consumed worldwide. To establish fundamental scientific data, we analyzed the amino acids and volatile compounds in seven tea cultivars grown in Korea investigated phenotype also. Phenotypically, the leaf area and greenness index of young shoots and leaf blades were particularly different among the four Korean cultivars. Nine amino acids were detected from each cultivar, with the total amino acid and theanine contents being 9.08–41.42 and 2.81–24.60 mg/g, respectively. Moreover, 107 volatile compounds were identified as common components among tea cultivars using headspace solid-phase microextraction / gas chromatography–mass spectrometry (HS-SPME/GC-MS), and 38 key compounds were identified using partial least squares-discriminant analysis (PLS-DA) and hierarchical cluster analysis (HCA). The (Z)-linalool oxide (furanoid) concentrations were significantly high in Korean tea plant cultivars, and linalool concentrations were also high or low, but had high relative contents. Linalool and its various oxides are the major compounds responsible for the tea aroma. In conclusion, Korean tea cultivars have distinct characteristics, and the results of this study will form the basis for identifying Korean tea plant cultivars that can produce high-value tea products.

Establishment of intermittent ultrasound-complex enzyme deodorization technology for tilapia based on GC-IMS and HS-SPME-GC/MS analysis

The presence of a fishy odor has emerged as a significant obstacle in the processing and commercialization of tilapia. In light of this, the present study employed ultrasonic-assisted enzyme deodorization to address this issue. The deodorization effects were evaluated from multiple perspectives, including chemical indexes (amino acid nitrogen content, trimethylamine content, and thiobarbituric acid value), physical indexes (texture), and sensory scores. Through the application of response surface methodology, an ultrasound-complex enzyme deodorization (UED) technology was ultimately optimized. The UED process resulted in a 56% reduction in trimethylamine content while also enhancing the taste, odor, and texture of the fish, thereby demonstrating its ability to significantly improve overall quality. Additionally, headspace solid-phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC/MS) and gas chromatography-ion mobility spectrometry (GC-IMS) were utilized to comprehensively analyze the impact of UED on flavor and elucidate its deodorization mechanism. Notably, UED samples exhibited reduced levels of components associated with undesirable fishy flavors such as hexanal, nonanal, 1-octen-3-ol, and ethyl propanoate while experiencing an increase in components such as benzaldehyde, cis-Jasmone, and butyl lactate that contribute pleasant fruity and floral aromas. Overall, this study has developed an efficient convenient method for both deodorizing tilapia enhancing its aroma, making valuable contributions towards improving overall flavor profile tilapia products.

Comparison of head space solid phase micro extraction with conventional and comprehensive gas chromatography mass spectrometry for volatile profiling of Irish whiskey

Whiskey is a traditional distilled product produced on the island of Ireland that is currently experiencing a major expansion in export volume. Different styles of Irish whiskey exist, however only some very limited published information exists on the volatile congener profile of the different styles of Irish whiskey. Such information is potentially indispensable from a quality, flavour and authenticity perspective. As gas chromatography is the established analytical method of choice to identify volatile congeners, this study compared headspace-solid phase microextraction (HS-SPME) using conventional gas chromatography single quadrupole mass spectrometry, to HS-SPME and HS-SPME-Arrow using comprehensive two-dimensional gas chromatography (GC×GC) modulated using reverse flow in tandem with time-of-flight mass spectrometry (TOFMS) detection. Six representative Irish whiskey samples were evaluated consisting of new make spirit and mature whiskies representing Single Malts, Pot Stills and Blends. The number of volatile congeners identified in these samples by HS-SPME/HS-SPME Arrow GC×GC-TOFMS was approximately twice that detected by conventional HS-SPME GCMS. In total 145 unique individual volatile congeners, excluding ethanol were identified, with the majority consisting of esters, but also benzenes, alcohols, aldehydes, terpenoids, furans, ketones, alkanes, alkenes, norisoprenoids, acetals, acids, lactones and phenols. The use of HS-SPME Arrow GC×GC-TOFMS significantly enhances the number of volatile congeners that can be identified and therefore provides much more information that can convey insights into product quality, consistency, flavour and also for authentication purposes.

Comparison of chemical compositions and aroma characteristics of walnut oil prepared by different roasting processes.

Walnut oil is an edible oil with high nutritional value, and the roasting process influences its quality and flavor. This study aimed to investigate the effects of roasting on the fatty acid composition, bioactive compounds (tocopherols, polyphenols, and phytosterols), and antioxidant capacity of walnut oil. Additionally, the aroma compounds and sensory characteristics were evaluated to comprehensively assess the variations in walnut oil after roasting. Roasting resulted in no notable impact on the fatty acid composition of walnut oil but increased the content of tocopherols and polyphenols in walnut oil, increasing its antioxidant capacity. Heavy roasting (160°C/20min) reduced the phytosterol content in walnut oil by 2.3%. In total, 146 volatile compounds were detected in both cold-pressed and roasted walnut oil using headspace solid-phase microextraction-gas chromatography-mass spectrometry, and 32 key aroma compounds were identified. Aromatic aldehydes, aliphatic aldehydes, and heterocyclic compounds significantly contributed to fragrant walnut oil. Furthermore, the principal component analysis based on quality characteristics and sensory evaluation indicated that moderate roasting (130°C/20min, 130°C/30min, and 160°C/10min) provided walnut oil with a sweet, nutty, and roasted aroma, as well as high levels of linoleic acid, phytosterols, and γ-tocopherol. Although heavy roasting (160°C/15min and 160°C/20min) enhanced the antioxidant capacities of walnut oils due to high levels of polyphenols, the oils exhibited an unpleasant burnt aroma. This study showed that roasting promoted the quality and flavor of walnut oil, and moderate conditions endowed walnut oil with a characteristic-rich flavor while maintaining excellent quality.

Comprehensive origin authentication of wolfberry pulp (Lycium barbarum L.) using multimodal sensory analysis and chemometrics

Wolfberry, a valuable commodity straddling the realms of medicine and nutrition, faces increasing scrutiny regarding its provenance authenticity. In this investigation, electronic nose, electronic tongue, headspace solid phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC-MS), and solid phase microextraction-gas chromatography-ion mobility spectrometry (SPME-GC-IMS) were employed for a thorough analysis of wolfberry pulp samples sourced from Ningxia (NX), Qinghai (QH), Gansu (GS), and Xinjiang (XJ). The results of the study showed that wolfberry samples from four regions could be effectively distinguished by combining intelligent sensory techniques with principal component analysis (PCA). In addition, smart sensory technology, combined with support vector machines (SVM) and random forest (RF) classifiers, can accurately distinguish samples from different regions (accuracy = 100 %). HS-SPME-GC-MS and SPME-GC-IMS identified 180 and 73 volatile organic compounds (VOCs), respectively. Through a combination of multivariate analysis (VIP > 1.2) and univariate analysis (P < 0.05), eight VOCs, including Nonadecane and alpha-Terpinolene, emerged as pivotal variables for distinguishing wolfberry pulp based on geographical origin. Overall, this study furnishes robust theoretical underpinnings for addressing concerns regarding the provenance authenticity of wolfberry pulp.

Integrated Transcriptomic and Metabolomic Analysis Revealed Abscisic Acid-Induced Regulation of Monoterpene Biosynthesis in Grape Berries.

Monoterpenes are a class of volatile organic compounds that play crucial roles in imparting floral and fruity aromas to Muscat-type grapes. However, our understanding of the regulatory mechanisms underpinning monoterpene biosynthesis in grapes, particularly following abscisic acid (ABA) treatment, remains elusive. This study aimed to explore the impact of exogenous ABA on monoterpene biosynthesis in Ruiduhongyu grape berries by employing Headspace Solid-Phase Micro-Extraction Gas Chromatography-Mass Spectrometry (HS-SPME/GC-MS) analysis and transcriptome sequencing. The results suggested significant differences in total soluble solids (TSS), pH, and total acid content. ABA treatment resulted in a remarkable increase in endogenous ABA levels, with concentrations declining from veraison to ripening stages. ABA treatment notably enhanced monoterpene concentrations, particularly at the E_L37 and E_L38 stages, elevating the overall floral aroma of grape berries. According to the variable gene expression patterns across four developmental stages in response to ABA treatment, the E_L37 stage had the largest number of differential expressed genes (DEGs), which was correlated with a considerable change in free monoterpenes. Furthermore, functional annotation indicated that the DEGs were significantly enriched in primary and secondary metabolic pathways, underlining the relationship between ABA, sugar accumulation, and monoterpene biosynthesis. ABA treatment upregulated key genes involved in the methylerythritol phosphate (MEP) pathway, enhancing carbon allocation and subsequently impacting terpene synthesis. This study also identified transcription factors, including MYB and AP2/ERF families, potentially modulating monoterpene and aroma-related genes. Weighted gene co-expression network analysis (WGCNA) linked ABA-induced gene expression to monoterpene accumulation, highlighting specific modules enriched with genes associated with monoterpene biosynthesis; one of these modules (darkgreen) contained genes highly correlated with most monoterpenes, emphasizing the role of ABA in enhancing grape quality during berry maturation. Together, these findings provide valuable insights into the multifaceted effects of exogenous ABA on monoterpene compounds and grape berry flavor development, offering potential applications in viticulture and enology.

Flavor Variations in Precious Tricholoma matsutake under Different Drying Processes as Detected with HS-SPME-GC-MS.

By employing headspace solid-phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC-MS), this study displayed the compositional changes in volatile organic compounds (VOCs) in Tricholoma matsutake samples subjected to hot-air drying (HAD) and vacuum freeze-drying (VFD) processes from their fresh samples. A total of 99 VOCs were detected, including 2 acids, 10 aldehydes, 10 alcohols, 13 esters, 12 ketones, 24 alkanes, 14 olefins, 7 aromatic hydrocarbons, and 7 heterocyclic compounds. Notably, the drying process led to a decrease in most alcohols and aldehydes, but an increase in esters, ketones, acids, alkanes, olefins, aromatic, and heterocyclic compounds. Venn diagram (Venn), principal component analysis (PCA), and partial least squares-discriminant analysis (PLS-DA) analyses enabled an easy and rapid distinction between the VOC profiles of T. matsutake subjected to different drying methods. Among the identified VOCs, 30 were designated as marker VOCs indicative of the employed drying process. And the VFD method was more capable of preserving the VOCs of fresh T. matsutake samples than the HAD method. Benzaldehyde, 1-Octen-3-ol, 3-Octanol, and (E)-2-Octen-1-ol were identified as markers for FRESH T. matsutake. Conversely, (E)-3-Hexene, lavender lactone, and α-Pinene were associated with VFD T. matsutake. For HAD T. matsutake, olefins, pyrazine, and esters, particularly ocimene, 2,5-Dimethyl-pyrazine, and methyl cinnamate, significantly contributed to its particularities. The results from this present study can provide a practical guidance for the quality and flavor control of volatile organic compounds in preciously fungal fruiting bodies by using drying processes.

Relationship between flavor characteristics and lipid oxidation in air-dried beef at different roasting stages

Lipid oxidation plays a key role in the formation of flavor during hot processing. The purpose of this study was to investigate the lipid oxidation, lipid molecular changes and their effects on flavor of air-dried beef at different roasting stages. The results revealed that the degree of lipid oxidation increased and the unsaturation of fatty acids decreased from 47.30% to 30.77%. A total of 48 volatile compounds were identified by headspace-solid phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC-MS). Notably, the types and contents of volatile compounds in S3 group exceeded those in S1 and S2, showing significant differences in the degree of separation among all groups. The aroma differences among the groups were associated with aromatic compounds formed by the oxidation of lipids. Moreover, a total of 59 lipids with significant differences were identified through liquid chromatography-tandem mass spectrometry (LC-MS/MS). These lipids may have major roles in the formation of aromatic compounds, particularly triglyceride, phosphatidylcholine, and lysophosphatidylcholine. This investigation elucidated the mechanisms for the flavor developments of air-dried beef during roasting stages.

Impact of pre- and post-fermentation fining with polyvinylpolypyrrolidone on the chemical stability and aromatic profile of Viognier wine.

Polyvinylpolypyrrolidone (PVPP) is a synthetic, insoluble polymer that can be added to white wines to improve the chemical stability of the final product by precipitating unstable low molecular weight phenolic compounds responsible for visual defects and undesirable flavor characteristics (e.g., excessive bitterness and/or astringency). The objective of this study was to characterize the effects of PVPP on the quality characteristics of Viognier wine when added pre- or post-fermentation as compared to an untreated control wine. Both PVPP-treated wines contained significantly lower concentrations of monomeric phenolics and browning pigments than the control wine (p≤0.05). The addition of PVPP prior to fermentation conferred protection against oxidation of the wine as measured by acetaldehyde concentration (p≤0.05). Analysis of the volatile aroma profile of each wine by headspace solid phase microextraction gas chromatographymass spectrometry (HS-SPME-GC-MS)revealed that the overarching aroma profiles of the PVPP-treated wines were significantly different from the control wine, but there was no difference between wines treated with PVPP pre-fermentation versus those treated post-fermentation. Specifically, statistically significant differences were observed in 9 of the 22 quantified aroma compounds, including those notably associated with the "stone fruit" aroma of Viognier. A negative correlation was identified between aroma compound concentration removal and the hydrophobicity of each compound, suggesting that the observed differences in aroma may be due to adsorption of aroma compounds by PVPP. The findings from this study present risks and benefits to wine quality upon treatment with PVPP at commercially recommended levels, and provide potentially valuable information for industrial wine producers.

Revealing the microbial diversity and volatile flavor formation in finger citron kombucha by metagenomic and GC-MS analysis

Kombucha is a kind of health drink formed by the metabolism of Symbiotic Culture of Bacteria and Yeast (SCOBY) composed of yeast, acetic acid bacteria and lactic acid bacteria, which is popular among researchers and fond of consumers because of its antioxidant and hypoglycemic effects. In this study, the finger citron kombucha with different fermentation time (2, 4, 6, 8 day) were analyzed by headspace solid phase micro-extraction gas chromatography-mass spectrometry (HS-SPME-GC-MS) and metagenomic sequencing. The results showed that a total of 76 volatiles were identified, including 15 key volatiles, such as linalool, geraniol, α-terpinene, and limonene, which had a great influence on the flavor of kombucha. Metagenomic analysis showed that unclassified-g-Gluconobacter, Komagataeibacter saccharivorans, Gluconobacter-sp.-R71656 and other microorganisms were the dominant species in finger citron kombucha. Through the correlation heat map analysis of volatiles and microbial composition, it was found that Gluconobacter had a positive effect on the formation of most volatiles of kombucha. In addition, Novacetimonas hansenii, Brettanomyces bruxellensis and Wickerhamiella sorbophila were also closely related to the flavor formation of kombucha. This study provided a theoretical basis for finding the key aroma-producing microorganisms in the fermentation process of finger citron kombucha and the subsequent construction of SCOBY.

Lacto-fermented garlic handcrafted in the Lower Silesia Region (Poland): Microbial diversity, morpho-textural traits, and volatile compounds

The aim of the present study was to provide a first characterization of lacto-fermented garlic manufactured by local small-scale artisanal producers in the Lower Silesia Region (Poland). The lacto-fermented garlic samples showed high nutritional features in terms of antioxidant activity. A total of 86 compounds, belonging to various chemical classes, were identified by headspace solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC/MS). Most of these compounds belonged to six main classes, being sulfur compounds, esters and acetates, oxygenated monoterpenes, monoterpene hydrocarbons, and alcohols. Aldehydes, acids, ketones, furans, and phenols were also identified. In the analyzed samples, counts up to 8 log cfu g−1 were observed for lactic acid bacteria. Metataxonomic analysis revealed the presence of Levilactobacillus, Lactiplantibacillus, Latilactobacillus, Secundilactobacillus, Weissella, Leuconostoc, Lactococcus, Pediococcus, and Lacticaseibacillus among the major taxa. These results were confirmed by the isolation and characterization of viable lactic acid bacteria. Indeed, the presence of the closest relatives to Lacticaseibacillus casei group, Pediococcus parvulus, Levilactobacillus brevis, Levilactobacillus parabrevis, and Lactiplantibacillus plantarum group was observed. A good acidification performance in salty garlic-based medium was observed for all the isolates that, between 8 and 15 days of fermentation, reached pH values comprised between 4 and 3.5, depending on the tested species. Of note, 15 out of the 37 lactic acid bacteria isolates (Levilactobacillus parabrevis, Pediococcus parvulus, Lactiplantibacillus plantarum group, and Lacticaseibacillus casei group) showed the presence of the hdcA gene of Gram-positive bacteria encoding for histidine decarboxylase. Furthermore, for 8 out of the 37 isolates the in-vitro exopolysaccharides production was observed. No isolate showed inhibitory activity against the three Listeria innocua strains used as surrogate for Listeria monocytogenes.

Investigations on the Diffusion Behavior of Smoke-Associated Aroma Compounds into the Sausage Matrix as Affected by Casing, Caliber, and Packaging.

The aim of the study was to investigate how smoke-associated flavoring substances behave during storage in Frankfurter-type sausages. The diffusion behavior of seven selected aroma substances in the sausage matrix and the influence of the packaging and the casing were examined over a storage period of 28 days. The sausages were cut into uniformly thick layers at defined time intervals and examined by headspace-solid phase microextraction-gas chromatography-mass spectrometry. In general, three different groups could be distinguished: (1) even distribution over the entire product on the first day after smoking; (2) clear concentration gradient from outside to inside on the first day of storage, which leveled out until day 28 of storage; and (3) a clear concentration gradient that remained present throughout the storage period. In addition, only small effects were found in the distribution of flavorings between two types of packaging, selected casing, or different calibers.

Comparable analysis of flavor compounds and quality assessment of fermented bean curd using HS-SPME-GC/MS and colorimetric sensor array

This study aims to develop an effective tool by integrating traditional analysis methods with advanced sensor array technology and multiple algorithms, to achieve rapid characterization, qualitative identification, and flavor quality evaluation of fermented bean products. Firstly, the flavor compounds and flavor profiles of fermented bean curd from different manufacturers were identified using headspace solid-phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC/MS) and quantitative descriptive analysis (QDA). A total of 63 volatile compounds were identified, of which 13 volatile compounds were identified as the key differential compounds in selected samples. Eight descriptors were selected to represent the aroma characteristics of fermented bean curd. Based on the key differential compounds, a low-cost colorimetric sensor array (CSA) was designed and constructed. Furthermore, the feasibility of CSA combined with multiple algorithms was investigated for brand discrimination and flavor quality assessment. Linear discriminant analysis (LDA) exhibited a better performance in distinguishing different flavor quality samples, and the recognition accuracy of its prediction set was 97.22%. The study suggests that CSA combined with multiple algorithms can be an effective tool for flavor characterization and qualitative discrimination of fermented bean curd, and can provide a new multi-dimensional analysis method for food analysis.

Tracking dry gin volatile organic compounds over distillation: a time course study

Why was the work done: The influence of distillation time on the volatile composition of gin has not been examined in detail at a commercial distillery. How was the work done: Headspace Solid-Phase Micro-Extraction Gas Chromatography-Mass Spectrometry (HS-SPME-GC-MS) was used to tentatively identify 74 aroma compounds, with their concentration tracked in distillate samples over the course of three gin distillations. What are the main findings: Four unique fractions were identified using Agglomerative Hierarchical Clustering: ‘heads’, ‘early hearts’, ‘late hearts, and ‘tails’. The hearts fraction (n=24 samples) was examined further, fitting statistically appropriate models to 54 aroma volatiles. Three sub-groups of volatiles were identified, (i) highly volatile monoterpenes with rapidly decreasing concentration over the early hearts fraction, (ii) volatiles whose concentration increased gradually over the hearts fraction and (iii) less volatile sesquiterpenes, sesquiterpenoids, and monoterpenoids which increased rapidly in concentration in the later distillate. Complex cubic models fit 34 volatiles with very high significance (p&gt;0.0001) over the hearts fraction (72%). Informal aroma sensory bench testing identified distinct aroma categories with, for example, ‘Spicy’ being commonly detected in the later distillate. Why is the work important: This investigation characterises the kinetics of flavour extraction over the course of a commercial gin distillation process. These findings highlight the potential for the expression of specific flavour characteristics by modifying the cut points of the distillation process

Effect of incubation temperature on identification of key odorants of sewage sludge using headspace GC analysis

Currently, headspace gas chromatography-mass spectrometry is a widely used method to identify the key odorants of sludge. However, the effect of incubation temperature on the generation and emission of key odorants from sludge was still uncertain. Thus, in this paper, headspace solid-phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC-MS) and headspace gas chromatography-coupled ion mobility spectrometry (HS-GC-IMS) were carried out to analyze the volatiles emitted from the sludge incubated at different temperatures (30 °C, 50 °C, 60 °C, and 80 °C). The results indicated that the total volatile concentration of the sludge increased with temperatures, which affected the identified proportion of sludge key odorants to a certain extent. Differently from the aqueous solutions, the variation of volatile emission from the sludge was inconsistent with temperature changes, suggesting a multifactorial influence of incubation temperature on the identification of sludge odorants. The microbial community structure and adenosine triphosphate (ATP) metabolic activity of the sludge samples were analyzed at the initial state, 30 °C, and 80 °C. Although no significant effect of incubation temperature on the microbial community structure of the sludge, the incubation at 80 °C led to a noticeable decrease in microbial ATP metabolic activity, accompanied by a significant change in the proportion of odor-related microorganisms with low relative abundances. Changes in the composition and activity of these communities jointly contributed to the differences in odor emission from sludge at different temperatures. In summary, the incubation temperature affects the production and emission of volatiles from sludge through physicochemical and biochemical mechanisms, by which the microbial metabolism playing a crucial role. Therefore, when analyzing the key odorants of sludge, these factors should be considered.

Impact of storage time on microbial communities and flavor profiles in highland barley grains

Microbial activity and the resulting flavor changes in stored highland barley grains may reduce the product quality and pose potential risks to food safety with economic losses. This study aims to elucidate the association between microbial load and flavor compounds during the preservation of highland barley. High-throughput sequencing (HTS) was used to investigate the microbial composition in stored highland barley. The volatile flavor components of the latter were identified via the headspace solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS). Moreover, the study examined the correlation between the types of microorganisms and volatile flavor molecules. The results indicated that the dominant phyla in highland barley were Ascomycota and Basidiomycota, with the dominant genera being Cladosporium, Vishniacozyma, Filobasidium, Udeniomyces, Cystofilobasidium, Aspergillus, Alternaria, Monographella, Didymella, and Neoascochyta. Inside，Cystofilobasidium, Itersonilia, Sarocladium, Ustilago, Penicillium and Pyrenophora served as effective biomarkers to distinguish highland barley grains stored at different times. Further, the highland barley samples contained 192 volatile organic compounds (VOCs), such as alcohols, ketones, esters, alkanes, aldehydes, etc. The top 20 volatile flavor compounds with differences were selected based on the variable importance of projection (VIP) > 1. Based on the correlation analysis findings, it was found that the genera Cystofilobasidium, Aspergillus, and Cladosporium hold promise in contributing volatile flavor compounds to highland barley. This study examined a pattern of changes in safety and quality across varying storage durations, providing crucial insights to enhance the flavor profile and texture of highland barley products.

Characterization of Key Aroma Compounds and Main Contributing Amino Acids in Hot-Pressed Oil Prepared from Various Peanut Varieties.

The production of peanut oil in the industrial sector necessitates the utilization of diverse raw materials to generate consistent batches with stable flavor profiles, thereby leading to an increased focus on understanding the correlation between raw materials and flavor characteristics. In this study, sensory evaluations, headspace solid-phase micro-extraction gas chromatography mass spectrometry (HS-SPME-GC-MS), odor activity value (OAV) calculations, and correlation analysis were employed to investigate the flavors and main contributing amino acids of hot-pressed oils derived from different peanut varieties. The results confirmed that the levels of alcohols, aldehydes, and heterocyclic compounds in peanut oil varied among nine different peanut varieties under identical processing conditions. The OAVs of 25 key aroma compounds, such as methylthiol, 3-ethyl-2,5-dimethylpyrazine, and 2,3-glutarone, exceeded a value of 1. The sensory evaluations and flavor content analysis demonstrated that pyrazines significantly influenced the flavor profile of the peanut oil. The concentrations of 11 amino acids showed a strong correlation with the levels of pyrazines. Notably, phenylalanine, lysine, glutamic acid, arginine, and isoleucine demonstrated significant associations with both pyrazine and nut flavors. These findings will provide valuable insights for enhancing the sensory attributes of peanut oil and selecting optimal raw peanuts for its production.

Discrimination and screening of volatile metabolites in atractylodis rhizoma from different varieties using headspace solid-phase microextraction-gas chromatography-mass spectrometry and headspace gas chromatography-ion mobility spectrometry, and ultra-fast gas chromatography electronic nose

Atractylodis rhizoma is a common bulk medicinal material with multiple species. Although different varieties of atractylodis rhizoma exhibit variations in their chemical constituents and pharmacological activities, they have not been adequately distinguished due to their similar morphological features. Hence, the purpose of this research is to analyze and characterize the volatile organic compounds (VOCs) in samples of atractylodis rhizoma using multiple techniques and to identify the key differential VOCs among different varieties of atractylodis rhizoma for effective discrimination. The identification of VOCs was carried out using headspace solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC–MS) and headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS), resulting in the identification of 60 and 53 VOCs, respectively. The orthogonal partial least squares discriminant analysis (OPLS-DA) model was employed to screen potential biomarkers and based on the variable importance in projection (VIP ≥ 1.2), 24 VOCs were identified as critical differential compounds. Random forest (RF), K-nearest neighbor (KNN) and back propagation neural network based on genetic algorithm (GA-BPNN) models based on potential volatile markers realized the greater than 90 % discriminant accuracies, which indicates that the obtained key differential VOCs are reliable. At the same time, the aroma characteristics of atractylodis rhizoma were also analyzed by ultra-fast gas chromatography electronic nose (Ultra-fast GC E-nose). This study indicated that the integration of HS-SPME-GC–MS, HS-GC-IMS and ultra-fast GC E-nose with chemometrics can comprehensively reflect the differences of VOCs in atractylodis rhizoma samples from different varieties, which will be a prospective tool for variety discrimination of atractylodis rhizoma.

Detection and Analysis of VOCs in Cherry Tomato Based on GC-MS and GC×GC-TOF MS Techniques.

Volatile organic compounds (VOCs) play a significant role in influencing the flavor quality of cherry tomatoes (Solanum lycopersicum var. cerasiforme). The scarcity of systematic analysis of VOCs in cherry tomatoes can be attributed to the constraints imposed by detection technology and other contributing factors. In this study, the cherry tomato cultivar var. 'Zheyingfen1' was chosen due to its abundant fruit flavor. Two detection technology platforms, namely the commonly employed headspace solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS) and the most advanced headspace solid-phase microextraction-full two-dimensional gas chromatography-time-of-flight mass spectrometry (HS-SPME-GC×GC-TOFMS), were employed in the analysis. The VOCs of cherry tomato cultivar var. 'Zheyingfen1' fruits at red ripening stage were detected. A combined total of 1544 VOCs were detected using the two aforementioned techniques. Specifically, 663 VOCs were identified by through the HS-SPME-GC-MS method, 1026 VOCs were identified by through the HS-SPME-GC×GC-TOFMS, and 145 VOCs were identified by both techniques. The identification of β-ionone and (E)-2-nonenal as the principal VOCs was substantiated through the application of the relative odor activity value (rOAV) calculation and subsequent analysis. Based on the varying contribution rates of rOAV, the analysis of sensory flavor characteristics revealed that cherry tomato cultivar var. 'Zheyingfen1' predominantly exhibited green and fatty attributes, accompanied by elements of fresh and floral flavor characteristics. In conclusion, our study conducted a comprehensive comparison of the disparities between these two methodologies in detecting VOCs in cherry tomato fruits. Additionally, we systematically analyzed the VOC composition and sensory flavor attributes of the cherry tomato cultivar var. 'Zheyingfen1'. This research serves as a significant point of reference for investigating the regulatory mechanisms underlying the development of volatile flavor quality in cherry tomatoes.

A new HS-SPME-GC-MS analytical method to identify and quantify compounds responsible for changes in the volatile profile in five types of meat products during aerobic storage at 4 °C

Nowadays, it is important to monitor the freshness of meat during storage to protect consumers’ health. Volatile organic compounds (VOCs) are responsible for odour and taste of food, and they give an indication about meat quality and freshness. This study had the aim to seek and select potential new markers of meat spoilage through a semi-quantitative analysis in five types of meat (beef, raw and baked ham, pork sausage and chicken) and then to develop a new quantitative analytical method to detect and quantify potential markers on five types of meat simultaneously. Firstly, a new headspace-solid phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC–MS) method was developed to evaluate the volatile profile of five types of meat, preserved at 4 °C for 5 days. Among the 40 compounds identified, 15 were chosen and selected as potential shelf-life markers on the basis of their presence in most of meat samples or/and for their constant increasing/decreasing trend within the sample. Afterwards, a quantitative HS-SPME-GC–MS analytical method was developed to confirm which VOCs can be considered markers of shelf-life for these meat products, stored at 4 °C for 12 days. Some of the compounds analyzed attracted attention as they can be considered markers of shelf-life for at least 4 types of meat: 1-butanol, 3-methylbutanol, 1-hexanol, 2-nonanone, nonanal, 1-octen-3-ol and linalool. In conclusion, in this study a new quantitative HS-SPME-GC–MS analytical method to quantity 15 VOCs in five types of meat was developed and it was demonstrated that some of the compounds quantified can be considered markers of shelf-life for some of the meat products analyzed.