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.
✓ 已验证
DOI
PubMed
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2026
·
IF 2.4
Xinjun Zhou,Jing Jiang,Xiaopeng Chen,Chenghong Wu,Linlin Wang,Xiaojie Wei,Liyuan Tan,Jiezhen Liang
Isothermal vapor–liquid equilibrium data were measured for the binary systems related to α-pinene + myrcene, α-pinene + β-caryophyllene, and myrcene + β-caryophyllene using static headspace gas chromatography at 313.2, 323.2, and 333.2 K. The experimental data were correlated with the nonrandom two-liquid (NRTL) and universal quasichemical (UNIQUAC) models to obtain the binary interaction parameters. The small deviations demonstrated great agreement between the models and the experimental data. Moreover, the NRTL model showed marginally superior predictive accuracy in data association compared with the UNIQUAC model. The three binary systems exhibited simple phase behaviors with no azeotrope formation. In addition, the molecular surface charge profile and the binary energies of these systems were used to validate the strength of the σ-profile and to elucidate the role of intermolecular interactions in vapor–liquid equilibrium.
✓ 已验证
DOI
高影响因子
Food Bioscience
·
2024
·
IF 4.8
Mingtao Ma,Ziqiang Chen,Bing Huang,Xingguang Chen,Hua Liu,Zhengcong Peng,Peilin Dong,Jian Lu,Dianhui Wu
The origin of malt is a crucial factor influencing malt flavor. In this study, the volatile compounds of barley malt from four different producing areas were comprehensively characterized by gas chromatography electronic nose (GC-E-Nose), gas chromatography-mass spectrometry (GC-MS), and gas chromatography ion mobility spectrometry (GC-IMS). GC-E-Nose analysis revealed significant differences in volatile flavor compounds among malt samples from different origins. GC-MS identified 71 volatile compounds, with aldehydes being the most abundant in all four samples. GC-IMS identified 50 volatile compounds, and obtained the most abundant aldehydes included butyraldehyde, 3-methyl-2-butyraldehyde. etc not detected by GC-MS. The combination of GC-MS data with odor activity value (OAV) analysis identified 24 flavor compounds as key aroma compounds (OAV ≥1). Partial least squares discriminant analysis (PLS-DA) model combined with one-way analysis of variance (ANOVA) was used to screen out seven volatile markers: 1-penten-3-ol, decanal, ethyl butyrate, ethyl acetate, ethyl isovalerate, isoamyl acetate, and dimethyl sulfide. The integration of these techniques provided a better characterization of flavor compounds and their differences in malt from different origins. The results provided theoretical guidance for the factory to improve malt flavor quality.
研究领域:
食品科学
·
分析化学
·
农学
✓ 已验证
产品关联
DOI
高影响因子
FOOD HYDROCOLLOIDS
·
2026
·
IF 13.8
Xin Jiang,Qianqian Liang,Zhengpeng Wei,Shiqiang Yin,Jinmei Wang,Yanjun Duan,Wenzheng Shi
The role of polysaccharides toward controlling the release of off-flavors in silver carp surimi gels and the textural characteristics was investigated. Results showed that the addition of sodium octenyl succinate starch (SSOS), acetylated distarch phosphate (ADSP), agar (AG), β-cyclodextrin (CD), gellan gum (GG), and konjac glucomannan (KGM) from 18 polysaccharides reduced the release of fishy smell, which was considered the most unpleasant and predominant odor in surimi gels. Based on the results of HS-GC-IMS and HS-SPME-GC-MS, gels AG, CD, and KGM showed more efficient adsorption capacity for volatile flavor compounds including hexanal, heptanal, nonanal, decanal, and 1-octen-3-ol. Among these, the hardness in gels AG, GG, and KGM increased, while deformation and gel strength decreased, resulting in a reduction in smoothness of the microstructure. The whiteness of the gels SSOS and CD were maintained, but the hardness of SSOS, ADSP, and CD decreased. Correlation studies indicated that the adsorption capacity of polysaccharides on volatile flavor compounds exhibited a negative correlation with hardness, chewiness, and water holding capacity, as well as a ∗ and b ∗ values. This comprehensive research provided new insights for selecting polysaccharides intended for flavor regulation in surimi products.
✓ 已验证
产品关联
DOI
高影响因子
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2021
·Vol. 413
·期 23
·5789-5798
·
IF 4.157
Zheng Chengyu,Zhou Qinan,Wang Zhenhe,Wang Jun
In recent years, the invasive cypress bark beetle ( Phloeosinus aubei ) has caused extensive damage to Platycladus orientalis plants in China, but its infestation is hard to monitor in the early stages. In this study, gas chromatography-mass spectrometry (GC-MS) was initially employed to investigate the volatile organic compound (VOC) emissions of P. aubei- infested P. orientalis saplings. The emissions of total sesquiterpenes were dominating (84−86% of total VOCs) and increased by 3.09-fold in P. aubei- damaged P. orientalis samples compared to undamaged samples, and the monoterpenes, aromatic compounds, and ketone emissions also had varying degrees of increase between 1.39-fold and 5.65-fold. Based on this variation, gas chromatography-ion mobility spectrometry (GC-IMS) was applied, as an untargeted analytical approach, to discriminate P. orientalis samples with different invasive severity. Two different features derived from GC-IMS data were adopted as the input information for classification and prediction models. Results showed that grid search support vector machine (GS-SVM) combined with multilinear principal component analysis (MPCA) based on spectral fingerprint achieved the best classification performances (> 88.98%), and partial least squares discriminant analysis (PLSR) method can accurately predict the pest numbers ( R 2 > 0.9423 and RMSE < 0.9827). In a word, the VOC profiling-based approach had the potential for evaluating P. aubei invasive severity and pest management.
研究领域:
植物学
·
昆虫学
·
分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Food Chemistry-X
·
2025
·
IF 8.2
Binbin Li,Qian Mu,Huijing Guo,Wenting Jia,Mengzhen Zhang,Ya Liu,Xinwen Jin
The effects of jujube pretreatment at different roasting temperatures (80–160 °C) on the dynamic changes in free amino acids and volatile organic compounds in jujube wine were evaluated using HPLC, HS-GC-IMS, HS-SPME-GC–MS, and sensory analysis. The results revealed that roasting at 80–100 °C enhanced the accumulation of sweet amino acids in jujube wine, whereas roasting at 140–160 °C increased the bitter amino acid content. As the roasting temperature increased, the contents of esters, alcohols, acids, aldehydes, and ketones in jujube wine rose initially before declining thereafter. Meanwhile, the furan compound content exhibited a continuous increase. Through multivariate statistical analyses, including orthogonal partial least squares-discriminant analysis (OPLS-DA), relative odor activity value (ROAV) calculations, and variable importance in projection (VIP), six key characteristic flavor compounds were identified. These included isoamyl acetate, ethyl hexanoate, and ethyl octanoate. The novel insights derived from this study could guide the improvement of jujube wine flavor.
研究领域:
食品科学
·
分析化学
·
风味化学
·
酿酒学
·
农产品加工
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Food Chemistry-X
·
2025
·
IF 8.2
Yiye Luo,Lusi Ouyang,Shuo Zhang,Yusheng Wang,Pingzhang Yao,Yin Liu,Xiaoyu Chen,Lin Yuan,Zhiyong Wu
This study investigated volatile organic compound (VOC) variations across commercial grades (G1, G2, G3) of Chinese black truffles ( Tuber indicum ) using electronic nose ( E -nose), headspace solid-phase microextraction gas chromatography–mass spectrometry (HS-SPM E -GC–MS), and headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS). E-nose analysis revealed significant differences in sulfur-containing and terpenic compounds between grades. HS-SPME-GC–MS identified 95 VOCs, with G1 exhibiting the highest diversity (75 compounds) and unique markers like 2-butanone. Orthogonal partial least squares-discriminant analysis (OPLS-DA) highlighted 86 discriminatory VOCs (VIP > 1). Odor activity value (OAV) analysis showed G1 had the strongest aroma intensity, driven by esters (ethyl isobutyrate, OAV = 6574) and alcohols (1-octen-3-ol, OAV = 3444). Higher-grade truffles (G1) contained distinct sulfur compounds absent in lower grades. This multi-technique approach provides a biochemical basis for refining truffle grading standards beyond morphological criteria.
研究领域:
食品科学
·
分析化学
·
食品化学
·
真菌学
·
挥发性有机物分析
·
感官分析
·
化学计量学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
FOOD RESEARCH INTERNATIONAL
·
2026
·
IF 8.8
Xueping Zhang,Xinxin Yu,Rongsuo Hu,Jiyue Zhang,Wenjiang Dong
This study aimed to evaluate the effect of roasting temperature on the flavor characteristics of shelled macadamia kernels (SMKs) employing quantitative descriptive sensory analysis, color analysis, and two volatile compound profiling techniques, namely headspace-solid-phase microextraction gas chromatography–mass spectrometry (HS-SPME-GC–MS) and headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS). Sensory and color analyses showed that roasting at 140 °C yielded a desirable roasted macadamia product, exhibiting a rich balsam flavor, creamy aroma, and uniform, harmonious faint yellow color. HS-SPME-GC–MS and HS-GC-IMS identified 107 volatile organic compounds (VOCs). Aldehydes, pyrazines, and furans increased with increasing roasting temperature, and these compounds were key contributors to the nutty aroma. Lipid oxidation dominated flavor formation during low-temperature roasting, while Strecker degradation prevailed at high temperatures. Among the VOCs, 23 with relative odor activity values (ROAV) of ≥1 contributed significantly to the overall aroma of roasted SMK. Furthermore, HS-SPME-GC–MS and HS-GC-IMS identified 10 and 16 key VOCs, respectively, including 2-methylpyrazine, 2,5-dimethylpyrazine, 2-ethylpyrazine, nonanal, and propanal. Interestingly, ethanol content showed a significant negative correlation ( p < 0.05) with “bitter,” and “burnt”, as well as with a*, b*, and c, whereas most pyrazine compounds exhibited positive correlations with these sensory attributes ( p < 0.05). Altogether, the findings of this study present roasting as an effective approach for enhancing macadamia nut aroma and provide valuable insights for flavor control in nut products.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
·
2021
·
IF 4.952
Hui Hou,Chang Liu,Xiaoshuo Lu,Donglu Fang,Qiuhui Hu,Yuyu Zhang,Liyan Zhao
New insight was systematically elucidated on variations of overall flavor characteristics in shiitake mushrooms ( Lentinula edodes ) affected by different drying techniques (hot air-drying (HD), vacuum freeze-drying (VFD), and VFD combined with HD (VFD-HD)). The volatile fingerprints of shiitake mushrooms were successfully established by headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS), and taste profiles and concentrations of non-volatile substances in mushrooms were analyzed. Comparison of aroma fingerprints associated with three drying approaches demonstrated that HD caused considerable losses of volatile compounds except for volatile acids, while VFD and VFD-HD preserved aroma compounds effectively. By application of PLSR analysis, strong “seasoning-like” and “fruity” aromas of VFD-HD mushrooms were closely correlated with 2,6-dimethylpyrazine and esters respectively. Additionally, the umami intensity of VFD-HD mushrooms was similar to HD samples and significantly higher than VFD ones. Furthermore, the correlation between the electronic tongue and sensory attributes was explored. The results obtained from this study revealed that VFD-HD could combine the advantages of single HD and VFD, producing high flavor quality mushroom products.
研究领域:
食品科学
·
分析化学
✓ 已验证
产品关联
DOI
高影响因子
MOLECULES
·
2022
·Vol. 27
·期 14
·4393
·
IF 4.927
Chao Li,Huiying Wan,Xinlong Wu,Jiaxin Yin,Limin Zhu,Hanjiang Chen,Xinbo Song,Lifeng Han,Wenzhi Yang,Heshui Yu,Zheng Li
Volatile organic compounds (VOCs) are the main chemical components ofSchizonepetae Spica(SS), which have positive effects on the quality evaluation of SS. In this study, HS-SPME-GC-MS (headspace solid-phase microextraction-gas chromatography-mass spectrometry) and HS-GC-IMS (headspace-gas chromatography-ion mobility spectrometry) were performed to characterize the VOCs of SS from six different regions. A total of 82 VOCs were identified. In addition, this work compared the suitability of two instruments to distinguish SS from different habitats. The regional classification using orthogonal partial least squares discriminant analysis (OPLS-DA) shows that the HS-GC-IMS method can classify samples better than the HS-SPME-GC-MS. This study provided a reference method for identification of the SS from different origins.Keywords:volatile organic compounds;Schizonepetae Spica;HS-SPME-GC-MS;HS-GC-IMS;OPLS-DA
研究领域:
药学化学
·
分析化学
·
中药学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF THE AMERICAN SOCIETY OF BREWING CHEMISTS
·
2026
·
IF 2.1
Wei Cheng,Qingyun Zhu,Na Li,Tianquan Pan,Jian Cai,Wei Lan,Qiang Chang,Yongqing Li,Zhaofa Duan
The flavor characteristics of Baijiu, including differences in volatile organic compounds (VOCs) and sensory evaluation, are critical for determining its quality grade, which is also influenced by the fermentation time of the grains. However, the fermentation mechanisms of most types of Baijiu remain unclear. In this study, we investigated the flavor characteristics of three quality grades of Jinyu-wan Fuxiang Baijiu (JFXB) at two different fermentation times. A high number of VOCs were revealed via two-dimensional gas chromatography time-of-flight mass spectrometry (GC × GC-TOF-MS), while principal component analysis (PCA) and orthogonal partial least squares discrimination analyses (OPLS-DA) indicated significant VOC differences among samples. Relative odor activity value (ROAV) assessment identified 12 VOCs with ROAV > 1 that were regarded as the key aroma contributors, along with 31 key differential VOCs with variable importance in projection (VIP) values greater than 1 (VIP > 1). Headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS) accurately identified 62 VOCs, establishing a VOC fingerprint and revealing 21 VOCs with VIP > 1. Sensory analysis revealed significant differences in the aroma, taste, and appearance of the samples. Overall, this study elucidates the flavor characteristics of Fuxiang Baijiu (FXB), providing valuable insights for the flavor quality control of FXB and a foundation for its fermentation process.
✓ 已验证
产品关联
DOI
高影响因子
FOOD CONTROL
·
2024
·
IF 5.6
Haoyue An,Zheng Lu,Zhaohui Wang,Muhammad Qamer Abbas,Zhenxia Du
Regenerated cellulose food packaging is increasingly widely used due to its renewable raw materials and excellent environmental performance. However, because its production process is complex, the safety of the regenerated cellulose food packaging needs to study carefully. In this study, we first collected the packages produced by traditional and new technology, and then HS-GC-MS was used to screen the volatile potential migrants in the package. Three food simulants were used for migration tests. The migrants from the regenerated cellulose food packaging during the contact with different foods were non-targeted screened and semi-quantitative by UPLC-QTOF-MS and GC-MS. The results show that 44 kinds of substances migrated to food simulants, and assessed their risk in conjunction with production processes. Glycerol or triethylene glycol as softeners, migrated in all three simulants and all types of packaging materials. Polyethylene glycol is detected in packaging materials with coatings, that come from adhesives. Allure red and its degradation products used for food coloring were detected in the transferable casing. The degradation product belongs to aromatic amine, which poses a high risk. Glycerol has the highest abundance among all migrants. By comparing the exposure and safety threshold values of migrants, it was found that polyethylene glycol and allure red pose health risks and should be paid more attention.
研究领域:
食品科学
·
分析化学
·
材料科学
·
环境科学
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）