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FOOD CHEMISTRY · 2026 · IF 9.8

Multi-dimensional flavor profiling analysis for durian cultivar identification base on HS-SPME-GC-MS, HS-GC-IMS and chemometric model

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.

✓ 已验证 DOI PubMed 高影响因子
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Frontiers in Chemistry · 2026 · IF 5.3

Analysis of volatile compounds in Aglaia odorata flower extracts with different possessing methods by HS-SPME-GC-MS and E-nose

Pengfei Yang,Lingqi Kong,Qiongbo Wang,Qiang Liu,Xiujin Duan,Chen Hu,Zhengbo Feng,Qi Yang,Huabo Jv

Introduction To investigate the impact of different processing methods on the volatile components in Aglaia odorata flower extract (AOFEs). Methods Headspace solid-phase microextraction coupled with gas chromatography-mass spectrometry and electronic nose (E-Nose) analysis were employed to characterize volatiles of extracts obtained by ultrasound-assisted extraction (UAE), microwave-assisted extraction (MAE), and heated reflux extraction (HRE). Multidimensional assessment using aroma radar charts, orthogonal partial least squares-discriminant analysis (OPLS-DA), K-means clustering, and relative odor activity value (ROAV) revealed significant processing-dependent variations. Results and discussion The results indicated that the fiber coated with DVB/CAR/PDMS had optimal extraction efficiency. A total of 46 compounds were identified, including eight alcohols, four aldehydes, one acid, 25 terpenes, seven ketones, and one heterocyclic compound. UAE and MAE had 36 and 38 compounds respectively, sharing similar compositional profiles but differing in concentrations, while HRE produced only 25 compounds Sensory evaluation and E-Nose results revealed differences in the aroma profiles of the extracts, with UAE and MAE extracts exhibiting intensified floral and sweet notes, whereas HRE displayed prominent green and spicy characteristics. K-means clustering categorized volatile evolution trends into four distinct subclasses. OPLS-DA identified 13 differential volatiles with variable importance in projection greater than 1, with ROAV analysis further selecting eight key markers, including (1R,7 S )-germacra-4(15),5,10(14)-trien-1 β -ol, α -humulene, copaene, β -cadinene, (E)- β -caryophylene, Γ -cadinene, humulene oxide II, and caryophyllene oxide. These compounds collectively contribute to the sweet and floral attributes of AOFEs. This study elucidated extraction-method-dependent volatile profiles and aroma characteristics, providing theoretical guidance for process optimization and quality enhancement in AOFEs production.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD RESEARCH INTERNATIONAL · 2021 · IF 6.475

Characterization of aroma and bacteria profiles of Sichuan industrial paocai by HS-SPME-GC-O-MS and 16S rRNA amplicon sequencing

Yajiao Zhao,Wenli Wei,Li Tang,Dongdong Wang,Yan Wang,Zhengyun Wu,Wenxue Zhang

Sichuan industrial paocai and traditional home-made paocai have different aroma profiles due to different manufacturing techniques, but detailed information about the aroma profiles and aroma-producing microorganism of Sichuan industrial paocai remain largely elusive. For this reason, we established and validated an external standard method of headspace solid-phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC–MS) combined with gas chromatography–olfactometry (GC-O) for identification and accurate quantitation of aroma-active compounds in Sichuan industrial paocai. This method was combined with 16S rRNA amplicon sequencing to comprehensively analyze the aroma and bacteria profiles of Sichuan industrial paocai. A total of 121 volatile compounds were identified, among which 36 odorants were identified as aroma-active compounds with aroma intensities (AIs) ranging from 0.67 to 5.00 by GC-O. The types of aroma-active compounds in Sichuan industrial paocai were variety-specific to some extent, but the aroma-active compounds shared by different varieties of Sichuan industrial paocai (i.e., skeleton aroma-active compounds) were phenylethyl alcohol, acetic acid, butanoic acid, 2-methylbutanoic acid, ethyl hexanoate, 4-ethylphenol and 4-ethylguaiacol. Moreover, 17 key aroma-active compounds of AI > 1 in radish paocai were quantitated by external standard method, and their odor activity values (OAVs) were calculated based on the odor thresholds. Further, 12 aroma-active compounds with OAV ≥ 1 in one of the radish paocai were selected to construct the recombination model, which revealed good agreement with the original sample. Furthermore, Lactobacillus, Pediococcus, Pseudomonas and Sphingomonas were the dominant bacteria in Sichuan industrial paocai. Correlation analysis between 16 dominant bacteria and 36 aroma-active compounds showed that Pediococcus, Arcobacter and Lactobacillus could be the core aroma-producing bacteria of Sichuan industrial paocai.

研究领域: 食品科学 · 微生物学 · 分析化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD CHEMISTRY · 2024 · IF 8.5

Unveiling the aromatic diversity of Fermented mango juices through 40 plant-derived Lactiplantibacillus plantarum

Tianyu Ma,Chunguang Wang,Xinyue Zhang,Yuxuan Zhu,Jiani Liu,Jian Sun,Baoqing Zhu,Dongqing Ye

Two varieties of mango juices (MJs) were separately fermented with 40 strains Lactiplantibacillus plantarum . The volatile compounds and sensory characteristics of the fermented mango juices (FMJs) were analyzed by HS-SPME-GC–MS and Napping method. The results demonstrated well growth among all strains except for LC25. Strains SS6 and B15 demonstrated the strongest acid production capacity in ReNong and Ketti MJs. Seventy-five volatile compounds were identified, showcasing strain-specific differences. Fermentation significantly enhanced the complexity and intensity of aroma compounds, especially terpenes, esters and alcohols. Sensory evaluation categorized FMJs into six aroma profiles, with strains C10 and LA100 exhibiting pleasant ‘mango’ flavor in ReNong and Ketti MJs. Multivariate factor analysis revealed that esters potentially play a key role in enhancing the ‘mango’ and ‘floral’ aroma of the FMJs. This study serves as a valuable resource for Lp. plantarum strain selection and quality control in FMJ development by analyzing the acid and aroma diversity.

研究领域: 食品科学 · 微生物学 · 分析化学 · 感官评价
✓ 已验证 产品关联 DOI PubMed 高影响因子
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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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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 CONTROL · 2022 · IF 6.652

Understanding the aroma diversity of Dancong tea (Camellia sinensis) from the floral and honey odors: Relationship between volatile compounds and sensory characteristics by chemometrics

Wei Chen,Die Hu,Aiqing Miao,Guangjun Qiu,Xiaoyan Qiao,Hongling Xia,Chengying Ma

Dancong is a Chinese oolong tea famous for its aroma diversity. However, this diversity in characteristic is challenging to be clarified in either sensory or chemical aspects. In this study, the aromas from Dancong teas were characterized based on the typical odors of “floral” and “honey”. The volatile compounds underlying the odors were investigated through chemometrics. Seventy Dancong teas of various categories were collected to approximate the diversity in aroma. According to the sensory evaluation, the floral or honey odor was detected in every sample. For volatile characterization, 57 compounds were identified by gas chromatography-mass spectrometry (GC-MS) coupled with headspace-solid phase microextraction (HS-SPME) across samples. The difference in floral and honey odors was related to volatile variation among the teas, as both the odor-based classification and the volatile-based unsupervised learning analyses yielded consistent sample clustering patterns. Nine volatiles were identified as putative markers for the odor difference, where indole, ( E )-nerolidol, 2-phenylacetonitrile, and γ-caprolactone accounted for the floral odor predominance, while hexyl 2-methylbutanoate, ( Z )-3-hexenyl pentanoate, ( Z )-linalool oxide (pyranoid), ( E )-linalool oxide (furanoid), and ( Z )-linalool oxide (furanoid) contributed to the honey odor perception. These results point to a volatile-endorsed categorization framework based on the floral and honey odors that can assist in Dancong aroma quality control.

CAS / MDL: 100-51-6
研究领域: 食品科学 · 化学分析 · 农学 · 植物科学
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Food Chemistry-X · 2025 · IF 8.2

Characterization of aroma profiles of Tanyang Congou black tea with flowery-fruity flavor: Insights from sensory evaluation and HS-SPME-GC-O-MS

Di Zhou,Xin-yu Liu,Miao-qin Xie,Hao-jie Xu,Huai-hui Yi,Da-xiang Li,Ru-yan Hou,Hui-mei Cai,Xiao-chun Wan,Daniel Granato,Chuan-yi Peng

Tanyang Congou black tea, renowned for its distinctive floral and fruity aroma, is meticulously produced using the shaking technique. However, the specific aroma profile and the key odor-active compounds responsible for this characteristic fragrance have not been fully elucidated. This study integrated sensory evaluation with molecular sensory science approaches to identify and characterize the principal odorants contributing to the tea's aroma. Sensory analysis confirmed that the prepared black tea exhibited typical high-quality attributes, with a prominent floral and fruity aroma markedly reduced in lower-grade samples. A total of 70 volatile compounds were detected, among which 29 key aroma-active compounds were identified across all three quality grades using aroma extract dilution analysis (AEDA) and gas chromatography-olfactometry-mass spectrometry (GC-O-MS). Of these, 16 volatiles exhibited high flavor dilution (FD) factors (≥8), and 11 compounds showed relative odor activity values (ROAV) greater than 1. Notably, seven compounds—( E )- β -ionone, (E)-nerolidol, geraniol, citral, linalool, hexanal, and phenylacetaldehyde—were identified as the primary contributors to the characteristic floral-fruity aroma of Tanyang Congou black tea. These findings provide comprehensive insight into the aroma profile of Tanyang Congou black tea, offering a scientific basis for quality assessment and targeted aroma modulation in tea production.

研究领域: 食品科学 · 茶学 · 分子感官科学
✓ 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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