FOOD CHEMISTRY
·
2025
·
IF 9.8
Jinying Zhou,Wenjun Rao,Shuai Hu,Xin Li,Linghua Ouyang,Shuilan Zhu
Te -flavor Baijiu is renowned for its complex sensory profile, which evolves significantly during ageing, though the aroma-active compounds driving these changes remain underexplored. To systematically evaluate the effects of ageing duration on its flavor properties, this study conducted a comparative analysis of samples aged for 0, 3, 5 and 10 years. The results demonstrated that esters exerted predominant influence on flavor development during ageing. In the initial ageing periods, ester concentrations increased markedly, with ethyl hexanoate emerging as a pivotal compound due to its high concentration and substantial odor contribution. Notably, distinct differences in aroma and taste were observed across ageing periods, with fresh Baijiu (0Y) exhibiting higher sweetness. Multivariate statistical analysis revealed distinct aroma profiles across ageing periods and identified 13 key aroma compounds that form the unique flavor skeleton of Te -flavor Baijiu. This study elucidates the flavor evolution dynamics during the ageing process of Te -flavor Baijiu, providing fundamental insights for process refinement and quality control in Baijiu production.
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高影响因子
Food Analytical Methods
·
2026
·Vol. 19
·期 2
·78
·
IF 3
Zhang Xiaoyun,Xing Wenli,Zhang Wenwen,Bai Wanming,Ma Junyi,Zhang Ji,Kong Weibao
Volatile flavor compounds are key determinants of the sensory quality and consumer preference of olive oil, and their compositional profiles are significantly influenced by geographical origin. To elucidate the regional differences in volatile flavors, this study employed headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS) combined with chemometrics to analyze oil samples from three major Chinese producing regions—Gansu, Yunnan, and Sichuan—as well as representative imported origins. A total of 56 volatile compounds were identified, including aldehydes, esters, alcohols, ketones, and terpenes. Fingerprint analysis revealed that terpenes were present at specifically high levels in some samples from Gansu, whereas alcohols and esters were more abundant in specific Sichuan samples and among the imported oils. Principal component analysis (PCA) showed limited overall separation among the regions, whereas partial least squares-discriminant analysis (PLS-DA) effectively discriminated samples from different geographical origins and identified 15 potential marker compounds with variable importance in projection (VIP) scores > 1. This study demonstrates that HS-GC-IMS coupled with chemometrics is an effective approach for screening volatile markers indicative of geographical origin, providing a potential research direction and data support for the traceability of olive oil.
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FOOD CHEMISTRY
·
2026
·
IF 9.8
Feifei Wang,LiFeng Liang,Haiqi Chen,Hao Yang,Shutong Liu,Zongcai Tu,Hui Wang
Durian is highly prized for its distinctive flavor, but cultivar-dependent price variations have driven economic adulteration. In this study, an integrated analytical platform combining GC–MS, GC-IMS, and chemometric modeling was employed to characterize volatile profiles across four durian cultivars (Monthong, Musang King, Sultan, and Medan). A total of 209 volatiles were detected, and cultivar-related flavor markers were identified: 11 for Monthong, 15 for Musang King, 9 for Sultan, and 5 for Medan. Key markers included 1-Octen-3-ol and alpha-lonone (Musang King), 3-Hydroxy-2-butanone (Monthong), 5-methyl-2-thiophenecarboxaldehyde (Sultan), and 2-decanone (Medan). Furthermore, the correlation between flavor compounds and potential biosynthetic precursors was analyzed. Ethyl 2-methylbutyrate exhibited strong associations with isoleucine (r 2 = 0.8) and (E, E)-2,4-heptadienal with linoleic acid (r 2 = 0.92), suggesting varietal aroma differences arise from distinct amino acid and fatty acid metabolism. Collectively, this study established an analytical framework for durian cultivar identification while providing preliminary mechanistic insights into flavor markers.
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FOOD CHEMISTRY
·
2021
·
IF 7.514
Wensheng Yao,Yingxuan Cai,Dengyong Liu,Yu Chen,Jianrong Li,Mingcheng Zhang,Na Chen,Hao Zhang
In order to help the poultry industry to generate higher quality products, the headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS) technique was used to identify volatile substances formed during the processing of Dezhou braised chicken (DBC). A total of 37 volatile substances including aldehydes, alcohols, ketones, esters, terpenoids, furans and pyrazines were identified during DBC processing across seven sampling stages. The analyses identified 2-ethylhexanol as a key flavor chemical within the chicken carcasses, and found that ethyl acetate, 1-hexanol, 4-methyl-2-pentanone and 1-pentanol were mainly produced during the deep-frying stage of processing. Stewing with herbs and spices was found to be an important stage in the flavor impartation process. 2-Butanone, n -nonanal, heptanal and ethanol were positively related to processing stage 3, whereas processing stage 4 was characterized by ethyl propanoate, benzaldehyde, butyl acetate, 2-pentyl furan and 2-heptanone. The processing stages 5, 6 and 7 were not significantly different (P > 0.05) from each other.
研究领域:
食品科学
·
分析化学
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Plant Stress
·
2025
·
IF 6.9
Caixia Sun,Liping Chen,Yuhong Liu,Weiran Zheng,Yumei Hua,Qiaoyan Zhang
The increasing demand for high quality fertilizer, which is being driven by human nutrition demand and agricultural soil protection, necessitates sustainable alternatives to be used as vegetable production. Thus, utilizing biochar (BC), bacterial fertilizer and their combination with organic fertilizer (OF) could be a sustainable approach. In our research work, OF, BC, liquid bacterial fertilizer (LB), and solid bacterial fertilizer (SB) were used to investigate different fertilizer combinations. Greenhouse field experiment was conducted to compare different fertilizer application and their effects on cabbage biomass, cabbage characteristics and soil physical and chemical properties. The results showed that combined application OF, BC, and LB promoted cabbage growth and resulted in the highest yield of 16.6 kg/m 2 . The vitamin C content was highest at 48.4 mg/kg with the combined application OF, BC, and SB treatment. The combined application OF, BC, and SB achieved the best overall comprehensive evaluation for cabbage biomass weight, vitamin C content, and total sugar content. The combined application OF and a bacterial fertilizer improved soil properties, while the addition of BC reduced the soil nutrient content. Gas chromatography-ion mobility spectrometry (GC-IMS) analysis showed that volatile organic compounds from cabbages were mainly esters, alcohols, acids, acetates, aldehydes, and ketones. These results provide a comprehensive understanding of different fertilizer applications and their effects on cabbage quality and rhizosphere soil.
研究领域:
农业科学
·
土壤学
·
植物营养
·
微生物学
·
分析化学
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Food Bioscience
·
2024
·
IF 4.8
Aoxing Tang,Bangzhu Peng
The black rice bran component (BRBC) is the main difference between black rice and glutinous rice, but its influence on the flavor of rice wines brewed from them is ambiguous. To address this, the flavor profiles and compounds of four rice wines — brewed from glutinous rice (B), glutinous rice with BRBC (added), polished black rice (without BRBC), and whole black rice (HH) — were analyzed using e-nose, GC-MS and GC-IMS. The e-nose revealed significant aroma profile differences between B and HH, with 47 and 49 volatile compounds detected by GC-MS and GC-IMS, respectively. Orthogonal partial least-squares discrimination and fold change analysis highlighted the significant impact of BRBC on the aroma differences between HH and B. Chemometrics and odor activity values identified isoamyl acetate, ethyl caprylate, (E)-2-octenal, phenylethyl acetate, ethyl caproate, 2,4-heptadienal, and 1-octen-3-ol as key contributors to the fresh and fruity aroma in B, while ethyl butanoate, ethyl isoiautyrate, benzene acetaldehyde, (E)-2-octen-1-ol, guaiacol, and heptanal were predominant in HH, contributing to its rich and complex aroma. The e-tongue indicated significant taste distinctions between HH and B, potentially due to the influence of the black rice bran component on the regulation of organic acid and free amino acid content. This study provides new insights into the regulation of rice wine flavor through raw materials.
研究领域:
食品科学
·
化学分析
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LWT-FOOD SCIENCE AND TECHNOLOGY
·
2026
·
IF 7.1
Xuemei Yang,Zihan Liu,Tingting Qi,Juanxia Yang,Jiawei Qi,Lei Xu,Cheng Liu
First dual-technique volatilomic analysis of pomegranate wine. • Triple-screening for key aroma compounds in pomegranate wine. • PLSR correlated volatiles with sensory attributes in pomegranate wine. • Data driven strategy bridging chemical analysis and industrial application. Key aroma-active compounds of pomegranate wine remain inadequately characterized. Herein, volatile profiles of twelve commercial pomegranate wines and one dry red wine were analyzed using complementary headspace solid-phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC-MS) and headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS). 144 volatile compounds were identified and quantified. Through an integrated screening approach combining odor activity values (OAV >1), relative odor activity values (ROAV >1), and variable importance in projection (VIP >1), 21 key aroma-active compounds were determined. Esters such as ethyl hexanoate (OAV up to 11,122), ethyl octanoate (up to 23,920), and ethyl butanoate (up to 4626) dominated fruity and floral notes, while ( E )-2-hexenal and hexanal contributed green attributes. Blended pomegranate-grape wines exhibited enhanced ester profiles. Sample P3 (with ashberry) achieved the highest sensory score (87.91/100), which was attributed to high linalool (OAV = 3909) and ionone (OAV = 25,711). Partial least squares regression (PLSR) confirmed positive correlations between ethyl esters and fruity/floral notes. Based on these findings, a practical quality control strategy was proposed, including target OAV benchmarks and the recommended use of GC-IMS for rapid volatile screening. This study provides a flavor fingerprint and theoretical support for quality control and improvement of pomegranate wine.
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LWT-FOOD SCIENCE AND TECHNOLOGY
·
2026
·
IF 7.1
Qun-Yan Xiong,Hui-Wen Gu,Qing-Qing Luo,Chao Wang,Yan-Qing Fu,Xiao-Li Yin
A machine learning-driven strategy for optimal feature selection is proposed. • W1W and W1C sensors serve as key variables for aroma type classification. • 131 volatile compounds were identified in Liupao tea. • 14 aroma type differentiating compounds were identified. • 4 key variables yielded 100% accurate aroma recognition models. This study aimed to differentiate between the stale-aroma and betelnut-aroma types of Liupao tea by analyzing their volatile profiles. An integrated methodology was employed, combining electronic nose (E-nose) technology with headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS). The E-nose data effectively differentiated between the two aroma types in both dry leaves and tea infusions. HS-GC-IMS enabled identification of 131 volatile compounds. Key discriminative features were selected through machine learning by integrating the variable importance in projection (VIP) from orthogonal partial least squares discriminant analysis (OPLS-DA) with Shapley additive explanations (SHAP) values from extreme gradient boosting (XGBoost). This process identified two critical E-nose sensor channels and two key volatile compounds. Utilizing these four optimal variables, three classification models were developed: principal component analysis-linear discriminant analysis (PCA-LDA), partial least squares discriminant analysis (PLS-DA), and support vector machine (SVM). All models demonstrated a perfect classification accuracy of 100% on both the training and internal test datasets. The PCA-LDA and PLS-DA models maintained 100% accuracy on the independent test set, whereas the SVM model achieved a classification accuracy of 80% on the same set. These results reveal the volatile characteristics of Liupao tea and offer valuable insights for quality assessment and targeted flavor modulation.
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MOLECULES
·
2026
·Vol. 31
·期 13
·2315
·
IF 5.1
Lili Cui,Hongying Guo,Yuhe Ren,Rui Wang,Meiling Jin,Tianxing Zhao,Ze Zhang,Xuan Li,Hui Zhao
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 (R 2 Y = 0.997, Q 2 = 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.
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MICROCHEMICAL JOURNAL
·
2025
·
IF 5.1
Wenhui Lu,Liangliang Zhang,Zixuan Nie,Xian Wu
Fire investigation plays a crucial role in determining the origin and cause of fire incidents, thereby influencing subsequent criminal liability assessments. The collection and analysis of trace evidence play a significant role in evidence confirmation, case reconstruction, and advancing forensic science for solving fire-related cases. On-site combustion residues present significant challenges due to their complex sources, minute quantities, and compromised integrity, complicating trace evidence retrieval in public security operations. Combustion-derived odor traces offer potential sources for volatile-based evidence analysis. This study utilized Headspace Gas Chromatography-Ion Mobility Spectrometry (HS-GC-IMS) to comprehensively profile volatile organic compounds (VOCs) in paper-based combustion residues. Tree-based machine learning algorithms were integrated to identify key VOC markers, enabling rapid source apportionment of multi-category and low-concentration volatiles. A total of 51 different types of volatiles were qualitatively identified, along with the visualization of topological distribution and fingerprint. The Categorical Boosting (CatBoost) model was identified as optimal, achieving high accuracy (96.67 %), precision (96.51 %), recall (97.22 %), F1-score (96.72 %), and an AUC value of 100 %. The SHapley Additive exPlanations (SHAP) framework was applied to interpret feature importance, enhancing model credibility and operational transparency. This study has demonstrated that integrating interpretable machine learning with HS-GC-IMS strategies can elucidate complex relationships between diverse on-site combustion residue sources and their characteristic VOC profiles. These findings are expected to provide a scientific foundation for fire case investigations, compensation claims, and liability assessments.
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Analytical Methods
·
2026
·
IF 2.6
Jun-Xia Li,Min Gong,Chao Ma,Yao-Yao Li,Ling-Xiao Liu,Bin Wang,Jin-Jing Ren,Sheng-Ming Lei,Yun-Guo Liu
Rosa rugosa Thunb. can be skillfully blended with high-quality, mellow Baijiu to produce Rose Lujiu (RL), which emits a delightful aroma. In this study, e-nose, e-tongue, GC-MS, and GC-IMS were employed to analyze the aromatic compounds. Relative odor activity value (ROAV) analysis and orthogonal partial least squares discriminant analysis (OPLS-DA) were employed to comprehensively assess volatile compounds and predict key aroma compounds. A total of 111 volatile compounds were identified using GC-MS analysis. Additionally, GC-IMS analysis identified a total of 70 aroma compounds, among which 13 key contributors to the aroma were determined based on odor activity thresholds. These results indicate that ethyl acetate, ethyl butanoate, propyl hexanoate, and 3-methyl-1-butanol emerged as pivotal odorants enabling discrimination among different RL samples. These findings would provide valuable data for the application of commercial samples in the flavor modulation of RL.
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Foods
·
2026
·Vol. 15
·期 17
·3031
·
IF 6
Hui Zhao,Rui Wang,Zhiwei Feng,Tianxing Zhao,Hongying Guo,Yuhe Ren,Youde Ma,Rongbing Bi,Meiling Jin,Lili Cui
Headspace–gas chromatography–ion mobility spectrometry (HS-GC-IMS) combined with chemometrics was employed to track volatile aroma compounds during the nine-steaming and nine-drying process. A total of 84 volatile signals (including monomers, dimers, and polymers) were tentatively identified, of which 73 volatile compounds were semi-quantified. Principal component analysis (PCA) revealed a mixed clustering pattern across cycles, indicating that unsupervised methods alone could not adequately resolve the volatile changes. A partial least squares discriminant analysis (PLS-DA) model supported clear chemical discrimination among the three hypothesized stages—early (cycles 1–3), middle (4–6), and late (7–9). Based on VIP > 1 and ANOVA (q< 0.05), 29 key differential compounds were screened and categorized into three dynamic groups (decreasing, transient, and accumulating), revealing three proposed transformation windows: green-grassy odor dissipation (cycles 1–3), roasted/malty aroma generation (cycles 4–6), and aroma stabilization via end-product accumulation (cycles 7–9). Relative odor activity value (ROAV) analysis revealed a decoupling between abundance and sensory impact: high-abundance Maillard products like maltol showed negligible ROAV (<0.0003), whereas esters and aldehydes dominated the ROAV profiles, suggesting their potential as important contributors to the fruity, sweet, and malty notes. The maltol/α-cedrol ratio (M/C) increased by an order of magnitude after the seventh steaming, and color parameters E*ab correlated negatively with ester accumulation. This study provides chemical insights and quantitative indicators for aroma quality control and process determination in black ginseng production.
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