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LWT-FOOD SCIENCE AND TECHNOLOGY · 2026 · IF 7.1

Vitriolic and sensory characterization of commercial pomegranate wines: Key aroma-active compounds revealed by HS-SPME-GC-MS and HS-GC-IMS

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.

✓ 已验证 DOI 高影响因子
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FOOD RESEARCH INTERNATIONAL · 2019 · IF 3.579

SPME-GC-MS & metal oxide E-Nose 18 sensors to validate the possible interactions between bio-active terpenes and egg yolk volatiles

Mostafa Gouda,Meihu Ma,Long Sheng,Xiaole Xiang

This study was focused on the differences between three concentrations of four safe bio-active volatile terpenes and natural compounds (trans-cinnamaldehyde, thymol, menthol, and vanillin) on the egg yolk volatile components. In which, Headspace Solid phase Micro Extraction (HS-SPME) followed by GC/MS were used for volatiles analysis, and electronic nose (E-Nose) with 18 sensors was used for the aroma pattern. In the results, a total of 111 different volatile compounds were identified by using GC/MS. Some ketones, amines, nitro and organic acid compounds such as hexanone were significantly reduced after using these compounds. On the other hand, first principal components (PC1) of trans-cinnamaldehyde (0.1%) was decreased significantly ( p  < .05) to −4.8 ± 0.8, compared to the control with 4.3 ± 2.1. And, it increased benzaldehyde and nonanal peaks area significantly to 46.56 ± 14.46 and 9.22 ± 4.81 MPA. In menthol (0.1%), the content of d-limonene was decreased to 4.65 ± 0.49 MPA, compared to the control with 14.16 ± 4.95 MPA. On the other hand, by E-Nose, vanillin (0.1%) PC1 was decreased significantly to −4.48 ± 0.43. Moreover, thymol (0.1%) decreased hydrocarbon sensation to 0.448 ± 0.005. And, vanillin (0.1%) decreased hydrogen sulfide and ketones sensation to 0.169 ± 0.01 and 0.344 ± 0.01, respectively. In conclusion, this study is providing novel information to understand the effects of bio-active molecules on the biological fatty media volatility. Also, it explains how terpenes can protect egg yolk media from the unacceptable odor formation which results from the degradation of its lipids and proteins.

CAS / MDL: 14371-10-9
研究领域: 食品科学 · 分析化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Analytical Methods · 2022 ·Vol. 14 ·期 36 ·3583-3597 · IF 3.532

Non-targeted metabolomic analysis of variation of volatile fractions of ginseng from different habitats by HS-SPME-GC-MS coupled with chemometrics

Wen-Ting Gu,Lin-Yuan Li,Wen-Jing Rui,Zhong-Wen Diao,Guo-Dong Zhuang,Xiao-Mei Chen,Zheng-Ming Qian,Shu-Mei Wang,Dan Tang,Hong-Yan Ma

Cultivated ginseng (CG), transplanted ginseng (TG) and mountain cultivated ginseng (MCG) classified by the habitat type all belong to Panax ginseng and were reported to have similar types of secondary metabolites. Nonetheless, owing to the distinctly diverse habitats in which these ginseng types grow, their pharmacological effects differ. In the present study, an emerging analytical approach involving headspace solid-phase microextraction-gas chromatography–mass spectrometry (HS-SPME-GC–MS) was established to effectively distinguish among CG, TG and MCG. First, the volatile components were analysed and identified by using the NIST library combined with measured retention indices (Kovats', RI), and a total of 78 volatile components were finally characterized, which included terpenes, alcohols, esters, aldehydes and alkynols. Furthermore, multivariate statistical approaches, principal component analysis (PCA) and orthogonal partial least-squares discrimination analysis (OPLS-DA) were subsequently utilized to screen for compounds of significance. Under optimized HS-SPME-GC–MS conditions, 12, 16, and 16 differential markers were screened in the CG-TG, CG-MCG and TG-MCG groups, respectively. Our study suggested that HS-SPME-GC–MS analysis combined with metabolomic analytical methods and chemometric techniques can be applied as potent tools to identify chemical marker candidates to distinguish CG, TG and MCG.

研究领域: 药理学 · 分析化学 · 代谢组学
✓ 已验证 DOI PubMed 高影响因子
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FOOD RESEARCH INTERNATIONAL · 2023 · IF 8.1

Analysis of aroma components changes in Gannan navel orange at different growth stages by HS-SPME-GC–MS, OAV, and multivariate analysis

Yonghong Ye,Songyan Zheng,Yuanxing Wang

The ripe Gannan navel oranges have an appealing aroma, but few studies have reported the changes of these aromatic substances during the growth of navel oranges. In this study, changes of aroma components in Gannan navel orange from 119 to 245 days after flowering were systematically studied using headspace solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC–MS) coupled with multivariate analysis, including principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA). A total of 43 and 54 aroma components were identified in pulp and peel of navel orange, respectively. The odor active value (OAV) results indicated that 14 substances were the key aroma components during the growth of navel orange. Among them, the contribution of linalool, β-myrcene and limonene were the highest. The multivariate statistical analysis further confirmed that 14 and 18 compounds could be used as key markers to distinguish the pulp and peel at different growth stages, respectively. Results from this study contributed to a better understanding of the dynamic variation and retention of aroma compounds during navel orange growth, and have great potential for industrial application.

CAS / MDL: 108-94-1
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Food Chemistry-X · 2024 · IF 6.5

Effect of osmotic dehydration combined with vacuum freeze-drying treatment on characteristic aroma components of peach slices

Jin-Ru Wang,Xin-Ye Wu,Cheng-Bi Cui,Jin-Feng Bi

Hot air drying (HD), vacuum freeze drying (FD), and pilot-scale freeze drying (PSFD) are extensively used to prepare peach slices. However, the aroma of hot air drying and vacuum freeze-drying is yet to be addressed. In this study, HS-SPME-GC–MS was used to characterize and quantify the volatile compounds in peach slices. First, 33, 36, and 46 volatile compounds were identified and quantified in the HD, FD, and PSFD groups, respectively. PSFD is preferable to HD and FD in terms of the volatile compound types, content, and aroma profiles. PSFD was selected for subsequent permeation and dehydration experiments. The key aroma compounds with an OAV ≥ 1 were found in the PSFD30 group. GC-O analysis was conducted on the PSFD30 group, leading to the preliminary identification of 2-methylbutanal, pentanal, hexanal, 2-hexenal, phenylacetaldehyde, ethyl acetate, 2-methylbutyl acetate, ethyl lactate, linalool, methyl heptenone, and γ-octalactone as distinctive aromas in dried peach slices.

研究领域: 食品科学 · 农业工程 · 化学分析
✓ 已验证 DOI PubMed 高影响因子
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FOOD HYDROCOLLOIDS · 2026 · IF 13.8

Polysaccharide-induced Hypophthalmichthys molitrix surimi gel for controlling fishy smell release: Sensory, HS-GC-IMS, HS-SPME-GC-MS screening and textural characteristics

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.

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Food Bioscience · 2024 · IF 4.8

Characterizing the key aroma compounds of barley malt from different origins using GC-E-Nose, HS-SPME-GC-MS, and HS-GC-IMS

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.

CAS / MDL: 123-96-6
研究领域: 食品科学 · 分析化学 · 农学
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INTERNATIONAL JOURNAL OF FOOD SCIENCE AND TECHNOLOGY · 2022 ·Vol. 57 ·期 12 ·7774-7786 · IF 3.612

Analysis of volatile compounds contributing to distinctive odour of silver carp (Hypophthalmichthys molitrix) surimi

Haiyong Geng,Lihua Chen,Shufen Wang,Yi Wu,Pei Gao,Qixing Jiang,Fang Yang,Wenshui Xia

Summary Although the characterisation of volatile compounds in silver carp ( Hypophthalmichthys molitrix ) have been studied, their respective contribution to specific odour feeling was unclear. Therefore, an investigation was made in this study by big data mining, solid phase microextraction-gas chromatography–mass spectrometry (SPME-GC–MS), odour activity values (OAVs), odour recombination in surimi models and omission experiment. The results demonstrated that 91 volatile compounds were obtained by data mining and 62 volatile compounds were identified by instrumental analysis. Among them, twenty-one volatile compounds were initially selected for the construction of the surimi model. The odour recombination and omission experiment confirmed that characteristic odour of silver carp surimi were hexanal (fishy, grassy), octanal (grassy, fatty), (E)-2-octenal (fishy), nonanal (grassy, fatty), (E)-2-nonanal (fatty, grass), (E,E)-2,4-heptadienal (fishy), 1-hexanol (grassy) and 1-octen-3-ol (mushroom). This study specified distinct silver carp surimi odour with definite compounds.

CAS / MDL: 111-70-6
研究领域: 食品科学 · 分析化学 · 农业科学
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FOOD RESEARCH INTERNATIONAL · 2026 · IF 8.8

Effects of different roasting temperatures on the flavor characteristics of shelled macadamia kernels: Analysis based on HS-GC-IMS and HS-SPME-GC–MS

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
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Food Chemistry-X · 2025 · IF 8.2

Effects of different roasting temperatures on the flavor characteristics of jujube wine: Analysis based on HPLC, HS-GC-IMS, and HS-SPME-GC–MS

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.

CAS / MDL: 123-96-6
研究领域: 食品科学 · 分析化学 · 风味化学 · 酿酒学 · 农产品加工
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Food Chemistry-X · 2025 · IF 8.2

Insights into VOCs variation derived from Chinese black truffles (Tuber indicum) between grades via E-nose, HS-SPME-GC-MS, and HS-GC-IMS

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
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FOOD CHEMISTRY · 2024 · IF 8.5

Evaluation of the effect of Torulaspora delbrueckii on important volatile compounds in navel orange original brandy using E–nose combined with HS–SPME–GC–MS

Jingjing Liu,Yin Wan,Yanru Chen,Haowei Fan,Mengxiang Li,Qihai Jiang,Guiming Fu

Simultaneous inoculation of non- Saccharomyces cerevisiae during the alcoholic fermentation process has been found to be an effective strategy for enhancing wine flavor. This study aimed to investigate the effect of Torulaspora delbrueckii NCUF305.2 on the flavor of navel orange original brandy (NOOB) using E–nose combined with HS–SPME–GC–MS. The results showed a significant increase ( p  < 0.05) in the sensitivity of NOOB to W5C, W3C, W1S, and W3S sensors by mixed fermentation (MF). Esters in NOOB increased by 4.13%, while higher alcohols increased by 21.93% ( p  < 0.001), terpenes and others increased by 52.07% and 40.99% ( p  < 0.01), respectively. Notably, several important volatile compounds with relative odor activity values above 10 showed an increase. Sensory analysis revealed that a more pronounced citrus-like flavor and higher overall appearance scores were found in MF than in pure fermentation (PF). These findings offer valuable theoretical guidance for enhancing the quality of fruit brandies.

CAS / MDL: 108-11-2
研究领域: 食品科学 · 微生物学
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