Search Results (409)

Huangshui (HS), fermented grains (FG), and pit mud (PM) are closely connected during the fermentation of Nongxiangxing baijiu (NXB); however, the contribution of HS to the differences in flavor profiles across PM, FG, and distilled baijiu has not been fully elucidated. Herein, instrumental techniques of electronic nose (E-nose), headspace gas chromatography–ion mobility spectrometry (HS-GC-IMS), and headspace solid-phase microextraction coupled with gas chromatography–mass spectrometry (HS-SPME-GC-MS) were used to compare the volatile profiles of HS, FG, PM, and two quality grades of NXB. E-nose analysis revealed that PM exhibited stronger signals related to sulfur-containing, organic, and terpene-associated compounds. Gas chromatography indicated that special-grade baijiu had a more favorable ethyl caproate/ethyl lactate ratio than superior-grade baijiu. Furthermore, HS-GC-IMS revealed different volatile profiles of the samples. Up to 183 volatile organic compounds (VOCs) were identified via HS-SPME-GC-MS, with esters and acids being the dominant classes. Multivariate analysis showed close relationships among HS, FG, and PM, and 35 VOCs were identified as important discriminatory compounds. These results suggest the differences and similarities in VOCs among the HS, FG, PM, and NXB samples, indicating that HS is chemically associated with both FG and PM. This study provides useful insights into HS utilization and quality regulation of NXB through the effective management of HS. Full article

Green (Zanthoxylum schinifolium, ZSEO) and red (Zanthoxylum bungeanum, ZBEO) Sichuan pepper essential oils are widely used spices whose characteristic aromas differ markedly, yet a systematic comparison of their volatile fingerprints and aroma-active compounds is still lacking. To address this, the two essential oils were characterized and compared by combining headspace gas chromatography–ion mobility spectrometry (HS-GC-IMS) and gas chromatography–olfactometry–mass spectrometry (GC-O-MS). HS-GC-IMS detected 94 volatile signals; multivariate analysis clearly separated the two oils (R²Y = 0.993, Q² = 0.986) and identified 40 differential markers including 37 aroma-active compounds, with ZSEOs enriched in minty and green-note compounds like isomenthone and ZBEOs in woody, ester and acid compounds such as bornyl acetate. GC-O-MS identified 37 aroma-active compounds, of which linalool was the most prominent odorant in both Eos; a total of 27 were shared, while four and six were unique to the green and red EOs, respectively. Cross-referencing the two datasets showed that volatile abundance and odor contribution were not always concordant. The combined approach clarifies the chemical basis of the aroma difference between the two species and offers a transferable strategy for linking volatile fingerprints to perceived aroma in Zanthoxylum essential oils. Full article

This study investigated quality traits and volatile organic compounds (VOCs) in two winter wheat varieties with different gluten types (Xinliang 169, medium-strong gluten, and Xinliang 607, medium-weak gluten) across five grain-filling stages (5, 10, 20, 30, and 40 days after anthesis, DAA) under heated headspace conditions (80 °C). During grain filling, moisture and total soluble sugar (TSS) decreased significantly, whereas hardness, thousand-kernel weight (TKW), and starch content increased significantly. Protein followed a typical “high–low–high” pattern. Using headspace gas chromatography–ion mobility spectrometry (HS-GC-IMS) and headspace solid-phase microextraction gas chromatography–mass spectrometry (HS-SPME-GC-MS), 80 and 125 VOCs were detected, respectively. A total of 19 preliminarily prioritized candidate odorants (e.g., 1-penten-3-one, 2,3-butanedione, and 3-methylbutanal) were screened using orthogonal partial least squares discriminant analysis (OPLS-DA, VIP > 1) and relative odor activity value (ROAV ≥ 1). Based on literature odor descriptors, the aroma profile shifted from green, malty notes during early grain filling to waxy, fatty, and grain-like notes during late grain filling. XL169 was characterized by grassy-green, malty, and fatty grain-like notes, whereas XL607 was dominated by creamy, buttery, and sweet-fruity woody notes. Correlation analysis revealed significant correlations between high-priority candidate odorants (2,3-butanedione, (E)-2-octenal, and 3-hydroxy-4,5-dimethyl-2(5H)-furanone) and quality traits (starch, TSS, and protein). These exploratory findings provide a preliminary reference profile for understanding how grain filling affects wheat VOCs. Full article

Exercise and sports metabolomics provide a systems-level approach to characterizing how acute exercise, training adaptation, nutrition, recovery, and environmental stress reshape human metabolism. By profiling metabolites related to substrate utilization, mitochondrial function, redox balance, inflammation, muscle stress, and recovery kinetics, these approaches can reveal pathway-level responses that conventional single biomarkers cannot capture. However, many exercise-responsive features remain difficult to interpret because of incomplete chemical identification, uncertain annotation confidence, limited quantitative reproducibility, variable pre-analytical control, inconsistent data processing, and insufficient biological validation. This narrative review examines recent advances in exercise and sports metabolomics, with emphasis on LC–MS, GC–MS, NMR spectroscopy, IMS–MS, and CE–MS workflows; platform selection; metabolite annotation and identification; pathway-level interpretation; and evidence requirements for candidate-panel development. Exercise-responsive metabolites should be interpreted as context-dependent pathway signals rather than isolated indicators of fatigue, recovery, adaptation, or performance. The review consolidates requirements for sampling, quality control, metadata capture, repeated-measures analysis, and external validation within an evidence-readiness roadmap. Wearable biochemical monitoring, AI-assisted analysis, and multi-omics integration may support future applications, but their value depends on analytical robustness, external validation, and physiological interpretability. Exercise and sports metabolomics should therefore progress from descriptive feature discovery toward reproducible, quantitatively reliable, and biologically validated pathway-level interpretation. Full article

Volatile fingerprints provide useful information for characterizing Astragali Radix (AR), a food–medicine homologous plant material, but differences among wild, wild-simulated, and cultivated samples remain unclear. In this study, headspace solid-phase microextraction coupled with gas chromatography–mass spectrometry (HS-SPME-GC–MS) and headspace gas chromatography–ion mobility spectrometry (HS-GC–IMS) were integrated with multivariate analysis and interpretable machine learning to characterize volatile profiles and identify candidate discriminatory compounds in 117 AR samples from different cultivation patterns. HS-SPME-GC–MS tentatively identified 29, 34, and 45 volatile compounds in wild, wild-simulated, and cultivated samples, respectively. Esters were the predominant class in all groups, although the relative abundance of esters and the overall chemical-class composition varied among cultivation patterns. HS-GC–IMS tentatively identified 57, 50, and 55 compounds, respectively, comprising mainly low-molecular-weight aldehydes, alcohols, and ketones and thereby providing complementary volatile fingerprint information. Partial least squares discriminant analysis (PLS-DA) showed that the volatile fingerprints captured cultivation-pattern-associated differences, with the HS-GC–IMS model showing clearer group separation. Random forest, support vector machine, and CatBoost models were further constructed using the HS-SPME-GC–MS profiling results. By integrating variable importance in projection (VIP) and SHapley Additive exPlanations (SHAP) values, γ-hexalactone, methyl eugenol, methyl (9Z,11E)-octadeca-9,11-dienoate, eugenol, and ethyl linoleate were selected as candidate discriminatory compounds. Based on the HS-GC–IMS results, 1-octen-3-one, pentyl acetate, (Z)-2-penten-1-ol, 2-heptanone, and the monomeric signal of 2-ethyl-6-methylpyrazine were also identified as candidate discriminatory compounds. These compounds may be related to fatty acid-derived metabolism, aromatic secondary metabolism, and terpenoid-related processes. The integration of two complementary volatile-analysis platforms with VIP- and SHAP-based interpretation provided broader coverage of volatile features and improved the interpretability of candidate-compound screening. These findings provide an interpretable analytical workflow and candidate discriminatory compounds that may support future rapid screening, cultivation-pattern authentication, and volatile-profile-based differentiation of AR, pending independent external validation. Full article

Ageing vessels are critical to the sensory maturation of Baijiu, yet the interfacial material processes by which traditional ceramics modulate liquor chemistry remain insufficiently defined. Here, Zisha and ceramic-clay particles with distinct aluminosilicate frameworks, mineral compositions, and pore structures were investigated to elucidate their roles in sauce-flavor Baijiu ageing. Ceramic characterization was combined with elemental and volatile analyses using ICP-MS, GC-MS, and GC-IMS. The results showed that pore development in Zisha was primarily governed by fluxing metal oxides and the Si/Al framework, whereas metal-ion migration into Baijiu was regulated by the SiO₂-rich matrix, pore accessibility, and trace elemental composition. Metal elements exhibited reversible interfacial exchange rather than simple leaching, revealing a dynamic metal-ion cycling process during ageing. This process was associated with selective remodeling of the volatile profile. Compared with ceramic-clay particles, Zisha promoted the accumulation of acetophenone, 3-pentanone, and pyrazine derivatives while reducing dimethyl disulfide and heptanal. Sensory evaluation of Baijiu aged in ceramic jars further validated these findings. These findings identify Zisha ceramics as active material–flavour interfaces and provide a mechanistic basis for the rational design of ceramic ageing vessels to direct Baijiu flavour maturation. Full article

Although early-maturing table grapes possess significant commercial value, the metabolic impact of shortened ripening cycles on aroma-quality interactions remains underexplored. This study comprehensively characterized seven cultivars via integrated physicochemical phenotyping (firmness, total soluble solids, and phenolic content) coupled with a multi-platform volatile analysis using E-nose, GC–MS, and GC–IMS. Based on instrumental volatile profiling, the cultivars were classified into three aroma-related groups: a Muscat-type (HY, HMG, JM), enriched in floral monoterpenes; a Strawberry-type (XL, ZML), dominated by fruity, honey-like esters and aldehydes; and a Neutral-type (CG, SB), defined by herbaceous C₆ compounds. Notably, the combined use of E-nose, GC–MS, and GC–IMS provided complementary information for differentiating cultivar-specific volatile profiles. In particular, GC–IMS improved the detection of trace low-molecular-weight volatiles, thereby refining the characterization of cultivar-dependent aroma-related compounds. These findings provide an instrumental basis for understanding volatile differences among early-maturing table grapes and offer useful information for cultivar evaluation, flavor-oriented breeding, and postharvest quality management. Full article

Pixian Doubanjiang (PXDB) is a traditional Chinese fermented condiment whose characteristic aroma and taste are strongly influenced by fermentation conditions. This study aimed to systematically compare the flavor profiles of PXDB produced via traditional open fermentation (TOF) and industrial closed fermentation (ICF), aiming to elucidate the chemical basis of sensory divergence and provide scientific support for industrial process optimization. In this study, PXDB samples were evaluated using sensory evaluation, GC-IMS, ¹H-NMR metabolomics, and multivariate statistical analysis. Sensory evaluation revealed that ICF exhibited a stronger soy sauce-like aroma, alcohol note, and umami intensity, whereas TOF and ICF showed comparable sweetness, sourness, chili-like aroma, and roasted aroma. GC-IMS putatively identified 126 volatile compounds, and multivariate analyses demonstrated a clear separation between the two fermentation modes. Based on combined criteria of VIP > 1, FDR-adjusted p < 0.05, and |fold change| > 2, 35 differential volatile compounds were identified. ICF was characterized by higher levels of esters, particularly ethyl esters, and selected ketones, while TOF showed enrichment of higher alcohols, terpenes, and sulfur compounds. ¹H-NMR analysis identified 54 non-volatile metabolites, of which 16 differed significantly between TOF and ICF, mainly involving amino acids, organic acids, and carbohydrates. Pathway analysis highlighted branched-chain amino acid and glutamate-related metabolism as key contributors to flavor divergence. Correlation analysis further revealed that soy sauce-like aroma and umami perception were strongly associated with amino acid-derived metabolites, esters, sulfur-containing compounds, and branched-chain aldehydes, highlighting the coordinated contribution of volatile and non-volatile compounds to flavor differentiation. Overall, fermentation mode was found to reshape PXDB flavor through coordinated modulation of volatile and non-volatile metabolism, providing experimental insight for improving industrial fermentation quality. Full article

Atractylodis Rhizoma is an important traditional Chinese medicinal material derived from two botanical origins, Maocangzhu (MCZ) and Beicangzhu (BCZ), which are difficult to distinguish by conventional morphological identification because of their similar appearance. However, differences in botanical origin may lead to variations in odor, taste, volatile constituents, and non-volatile metabolites, thereby affecting quality evaluation and clinical application. This study aimed to systematically characterize the sensory and chemical differences between MCZ and BCZ and to identify potential markers for their discrimination. A multi-dimensional analytical strategy combining electronic nose, electronic tongue, headspace gas chromatography–ion mobility spectrometry (HS-GC-IMS), and ultra-high-performance liquid chromatography–Orbitrap high-resolution mass spectrometry (UPLC-Orbitrap MS) was established. Electronic nose and electronic tongue were used to digitize odor and taste characteristics, HS-GC-IMS was employed to profile volatile organic compounds, and UPLC-Orbitrap MS was applied to characterize non-volatile metabolites. Principal component analysis (PCA), orthogonal partial least squares discriminant analysis (OPLS-DA), variable importance in projection (VIP) screening, permutation tests, and correlation analysis were further used to evaluate discrimination performance and screen characteristic markers. The electronic nose results showed that MCZ and BCZ exhibited distinct odor profiles, with W5S, W1W, and W1S identified as the main differential sensors, suggesting that nitrogen oxides, terpenoids, inorganic sulfides, and short-chain alkanes contributed to the odor differences between the two origins. Electronic tongue analysis further demonstrated clear taste discrimination, with sourness and richness identified as the key taste indicators. HS-GC-IMS detected 108 volatile organic compounds, and 24 volatile markers with VIP > 1.2 were screened as important contributors to the differentiation of MCZ and BCZ. Among them, propionic acid and 5-methyl-2-furancarboxaldehyde were mainly distributed in MCZ, whereas (E)-caryophyllene was present only or at higher levels in BCZ, indicating its potential as a characteristic volatile marker of BCZ. UPLC-Orbitrap MS detected 78 non-volatile constituents, and OPLS-DA screened 17 key non-volatile differential metabolites with VIP > 1.2. These results indicated that MCZ and BCZ could be clearly separated not only by sensory signals but also by volatile and non-volatile chemical profiles. This study revealed that the differences between MCZ and BCZ are mainly reflected in odor-active volatile compounds, key taste indicators, and non-volatile differential metabolites. The integration of electronic nose, electronic tongue, HS-GC-IMS, and UPLC-Orbitrap MS provides a comprehensive and reliable strategy for distinguishing the two botanical origins of Atractylodis Rhizoma. These findings provide valuable insights into the material basis underlying the sensory and chemical differences between MCZ and BCZ and offer scientific support for accurate authentication, quality evaluation, and rational clinical application of Atractylodis Rhizoma. Full article

The volatile compounds (VOCs) evolution of wild ginseng (WG) across growth years is not a unidirectional process but a divergent remodeling of the chemical fingerprint. In this study, HS-GC-IMS combined with chemometrics was employed to characterize the dynamic changes in VOCs in WG at four growth stages (10, 15, 20, and 25 years). Samples were collected from three independent sites, with ≥5 roots pooled per site per age group to obtain population-representative composite samples. A total of 68 VOCs were tentatively identified and semi-quantified. Terpenes and pyrazines exhibited the most pronounced directional trends: terpenes such as camphene, (E,E)-α-farnesene, and β-ionone accumulated progressively (increases of 242%, 74.6%, and 93.4%, respectively), whereas pyrazines showed an overall decline through distinct trajectories—2,3,5-trimethylpyrazine declined monotonically (57.3%), 2-ethyl-6-methylpyrazine decreased moderately (27.7%), and 2,5-dimethylpyrazine exhibited a transient peak at 20 years before a sharp terminal decline (52.3%). In contrast, the majority of compounds (66%) displayed non-monotonic patterns, underscoring the complexity of this divergent evolution. Partial least squares-discriminant analysis (PLS-DA) effectively distinguished samples across growth years (R²Y = 0.997, Q² = 0.993), with a 200-times permutation test confirming no overfitting. 29 differential compounds (VIP > 1) were identified. The divergent accumulation patterns of terpenes and pyrazines, together with 29 VIP-identified differential compounds, provide chemical evidence that the VOCs fingerprint could serve as a supplementary tool for growth-year assessment. These findings provide chemical evidence that WG flavor quality evolves divergently over time, suggesting that VOCs fingerprint could serve as a supplementary tool for growth-year assessment, particularly for “high-quality but poor-shape” specimens that are undervalued by traditional morphology-based methods. Full article

The chemical composition and perceived quality of wild ginseng (WG) are influenced by its geographical origin, yet clear chemical criteria for origin authentication remain lacking, and this problem is further complicated by the confounding effect of growth year. In this study, volatile and non-volatile fingerprints of 15- and 20-year-old WG from Huanren, Tonghua, and Ji’an (China) were characterized using HS-GC-IMS and HPLC. Partial least squares discriminant analysis (PLS-DA) models constructed separately for each growth-year group achieved complete origin separation of volatile fingerprints, with ten shared VIP markers identified. However, none maintained a consistent origin ranking across years, suggesting that the geographical signal may reside in the multivariate patterns. Ginsenoside profiling revealed a hierarchical candidate marker system: Rf, Rg1, Rc, Rb2 as robust candidate markers for Huanren, and Re as a 20-year-specific discriminator for Tonghua. The pervasive origin × growth year interaction observed across both volatile and non-volatile fractions indicates that growth-year-specific chemometric models are a necessity for reliable WG origin authentication. A practical two-step workflow—growth year determination followed by age-matched origin assignment—is proposed. These findings provide a scientific foundation for the geographical traceability and quality evaluation of WG. Full article

Preoperative anxiety may compromise perioperative welfare and anesthetic management in dogs. This randomized, blind clinical study evaluated the effects of oral tasipimidine on anxiety-related behaviors, handling quality, cardiovascular variables, anesthetic requirements and recovery in dogs undergoing elective ovariectomy. Thirty ASA I dogs were randomly allocated into three groups (n = 10). Treatment groups received tasipimidine (30 µg/kg PO) 45 min before admission, followed by morphine (0.3 mg/kg IM) combined with dexmedetomidine at either 2.5 µg/kg (GTa) or 5 µg/kg IM (GTb). Control dogs (GC) received an oral placebo followed by dexmedetomidine (5 µg/kg IM) and morphine (0.3 mg/kg IM). Anxiety was assessed using the Clinic Dog Stress Scale (CDSS), Visual Analog Scale (VAS), and Reactivity Evaluation Form (REF). Handling quality was assessed using a Numerical Rating Scale (NRS), and recovery quality using the Simple Descriptive Scale (SDS). Tasipimidine significantly reduced anxiety-related behaviors compared with controls, with lower CDSS (5 [0–10] vs. 13 [3–19]), VAS (4 [2–7] vs. 6.5 [2–9]), and REF scores (1 [1–3] vs. 2 [1–4]) (p < 0.05). Handling quality improved significantly in treated dogs with lower NRS (1 [1–2] vs. 2 [1–4]; p = 0.003). Preoperative heart rate was lower in tasipimidine-treated dogs (85 ± 19 bpm) than in controls (127 ± 23 bpm; p < 0.001). Recovery agitation requiring dexmedetomidine rescue sedation occurred in 30% of treated dogs versus 60% of controls. Propofol and fentanyl requirements did not differ significantly among groups (p > 0.05). Tasipimidine improved anxiety-related behavioral scores and handling quality in dogs; however, its cardiovascular effects and perioperative role warrant further investigation. Full article

Lysimachia foenum-graecum Hance (LFG), renowned for its potent aroma, is widely utilized as a culinary spice in the food industry. This study employed GC-IMS and GC-MS to analyze samples from four distinct regions: Guangxi (GX), Guizhou (GZ), Sichuan (SC), and Yunnan (YN). The profiling effort led to the identification of 51 and 47 volatile compounds, respectively, with alcohols, aldehydes, esters, and ketones constituting the predominant organic compounds (74%). The GX samples exhibited the highest overall compound content, while SC samples were characterized by the highest ester content. Significant variations in compound concentrations were observed across different sources. PLS-DA identified 15 distinctive volatile markers that differentiate the four regions. Odor activity value (OAV) analysis revealed five key volatile compounds linalool, borneol, estragole, undecanal, and β-Ionone. In addition, cellular-level assays demonstrated the pharmacological activity of LFG. These findings provide valuable insights for the application of LFG in the food industry. Full article

While Zanthoxylum bungeanum Maxim. (Z. bungeanum) pericarps are a globally prized spice, their leaves are frequently discarded as agricultural waste. This study systematically characterizes the aromatic potential of leaf by-products compared with traditional pericarps under diverse extraction strategies, utilizing an integrated flavoromics and sensomics approach. Qualitative GC-MS-O analysis revealed that leaf-derived fractions possess superior aromatic diversity: leaf essential oil and volatile solvent extract yielded 71 and 68 odorants, respectively, significantly surpassing pericarp counterparts (65 and 43 compounds). Concurrently, HS-GC-IMS profiling confirmed that targeted extraction allows leaf-derived flavors to replicate and exceed traditional spice complexity. Specifically, the leaf solvent extract achieved aromatic parity with pericarps by effectively mirroring the core spicy–citrus profile through cuminaldehyde and limonene retention. Conversely, distilled leaf essential oil unlocked a distinctive herbal–woody sensory innovation, driven by eucalyptol and a broader variety of aldehydes and ketones. Sensomics validation, incorporating aroma recombination, omission experiments, and partial least-squares regression modeling, conclusively identified β-myrcene, limonene, caryophyllene, and humulene as core molecular markers dictating these perceptual shifts. Ultimately, this research provides a robust theoretical foundation for upcycling Z. bungeanum leaves into valuable flavoring resources, facilitating circular bio-economy practices by delivering functional equivalence and entirely novel sensory experiences for the global food industry. Full article

Pineapple glutinous rice wine is a popular fermented beverage, yet its flavor and quality remain highly affected by yeast strains. This study aimed to explore the effects of four commercial yeasts, namely La Raffinée (Ra), La Bayanus (Ba), La Délicieuse (De), and Angel wine yeast (AWY), on the quality of pineapple glutinous rice wine. Fermentation indices including Brix and alcohol content were dynamically monitored, while final wine samples were analyzed for color difference, sensory quality and aroma components by gas chromatography–ion mobility spectrometry (GC-IMS). Results showed that all yeasts had optimal fermentation efficiency, sugar-to-alcohol conversion, physicochemical properties and sensory quality at an addition level of 0.2 g/L. The 0.2 g/L De group achieved the optimal overall quality with an alcohol content of 10.01% vol, the highest ester content (22.55%) and the lowest acid content (12.18%), presenting a balanced flavor, prominent pineapple aroma and refreshing taste. In contrast, Ba led to higher acidity and Angel wine yeast contributed to greater sweetness. Overall, 0.2 g/L De yeast effectively coordinated pineapple aroma and glutinous rice wine characteristics, providing a practical reference for optimizing the production and quality improvement of pineapple glutinous rice wine. Full article