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FLAVOUR AND FRAGRANCE JOURNAL · 2025 · IF 2

Integrating GC-TOF-MS, ROAV and Chemometrics to Understand the Flavour Characteristics of arabica Coffee Varieties in Yunnan

Hongyan Chen,Xingyu Miao,Xian Chen,Na Wang,Xin Fan,Qi Zhang,Wenjiang Dong,Lunzhao Yi

The Yunnan Province is the primary coffee-growing region in China. In this study, the flavour components of seven arabica coffee varieties in Yunnan were detected by headspace solid-phase microextraction-gas chromatography time-of-flight mass spectrometry (HS-SPME-GC-TOF-MS) and a total of 178 volatile components were annotated. There were 31 aroma compounds with 1 ≤ rOAV < 100 and 41 aroma compounds with rOAV ≥ 100. According to the aroma characteristics, defined by the relative odour activity value (rOAV) ≥ 1, the arabica coffee in Yunnan primarily exhibits fruit, sour, nut and floral aromas. Particularly, the isobutyl acetate and n-butyric acid found in Bourbon varieties enhance its fruit and sour aromas. In contrast, Geisha has a prominent floral aroma. Additionally, the 2,3-dimethyl-5-methylpyrazine present only in Catuai significantly contributes to its nutty aroma. The present results provide a valuable theoretical basis for understanding the aroma characteristics of different varieties of arabica coffee and their key underlying components.

CAS / MDL: 64-17-5
研究领域: 食品科学 · 分析化学 · 植物代谢组学 · 农产品品质 · 挥发性有机化合物
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FLAVOUR AND FRAGRANCE JOURNAL · 2023 ·Vol. 38 ·期 3 ·204-216 · IF 2.6

Analysis of volatile components in different broken rice by HS-SPME/GC-TOFMS

Kaixiong Peng,Qunyong Tang,Yuhan Zheng,Fang Ji,Xiaoming Chen

In this study, headspace solid-phase microextraction (HS-SPME) combined with gas chromatography-time-of-flight mass spectrometry (GC-TOFMS) was used to detect and analyse the volatile components of five samples with different degrees of fragmentation, combined with cluster analysis, orthogonal partial least squares discrimination analysis (OPLS-DA) and relative odour activity value (ROAV) analysis. The results showed that 70 volatile components were detected and identified in samples with different degrees of fragmentation. 40 were co-containing components. Cluster analysis revealed a high degree of similarity between samples B (20 mesh sieve top) and C (40 mesh sieve top), which were grouped into one category. The order of variation in the relative content of volatile components was A (unbroken) > E (120 mesh sieve top) > D (80 mesh sieve top) > B. C; the OPLS-DA analysis revealed significant differences in the volatile composition of rice samples with different degrees of fragmentation, This variation between samples is mainly due to the relative content of volatile components of 36 projections of variable importance (VIP > 1), such as ethyl butyrate, ethyl phenylacetate, and dimethyl trisulfide. A total of 12 volatile components with ROAV > 1, including ethyl hexanoate, 2-acetyl-1-pyrroline, and E -2-nonenal, were found to be the key volatile components in five samples based on their ROAV, the different degrees of crushing had a greater impact on the overall aroma of the rice, and the results can be used as a reference for further rice processors.

研究领域: 食品科学 · 分析化学
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Scientific Reports · 2025 ·Vol. 15 ·期 1 ·1-11 · IF 3.9

Detection and comparative analysis of VOCs between tomato and pepper based on GC×GC-TOFMS

Guan Sihui,Liu Chenxu,Ruan Meiying,Wang Rongqing,QingjingYe,Wan Hongjian,Zhou Guozhi,Guo Shangjing,Cheng Yuan,Yao Zhuping

This study aimed to identify and compare the flavor substances in mature tomato and pepper fruits using flavoromics based on GC×GC-TOF-MS. A total of 1560 volatile substances were identified, including 627 tomato specific substances and 534 pepper specific substances. Esters were identified as the distinguishing factor in the aroma profiles of the two. ROAV, an effective flavor evaluation criterion, can help identify the main contributors to flavor that can be detected by the taste buds. VOCs with ROAV > 1 are typically regarded as the key flavor contributors. Interestingly, it was found that tomato and pepper shared three common VOCs (2-nonenal, (E)-; 2-octenal, (E)-; and furan, 2-pentyl-.), which exhibited higher ROAV in both. Except for the three common VOCs, heptanal; 2-dodecenal, (E)-; 1-octen-3-one; 2-undecanone in tomato and pyrazine, 2-methoxy-3-(2-methylpropyl)- in pepper were identified to be contributive to their corresponding aromatic flavor (ROVA > 1), respectively. The contents of 138 volatile metabolites differ between tomato and pepper. Among them, acetoin, dodecanal and 1-decanol demonstrated highest fold change (Log 2 FC > 10). The flavor wheel shows the most obvious flavor characteristic of both tomato and pepper is sweet flavor. In addition, green, fruity, herbal, woody and apple flavors are prominent in pepper, while waxy, citrus and fatty flavors are prominent in tomato.

CAS / MDL: 64-17-5
研究领域: 食品科学 · 植物学 · 分析化学
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Frontiers in Plant Science · 2025 · IF 4.8

Unraveling flavor formation mechanism of cigar smoke through volatile compounds in cigar smoke and potential precursors in cigar tobacco

Xiaowei Zhang,Tianyu Dong,Dan Chen,Haowei Sun,Anchuan Xu,Chunqiong Wang,Dan Li,Jieyun Cai,Lingduo Bu,Ke Zhang,Haitao Chen

The flavor of cigar smoke directly influences the consumer’s willingness to purchase. However, the analysis of cigar smoke was lack. In this research, a total of 235 volatile compounds were identified by GC×GC-TOFMS in cigar smoke from Yuxi, Dehong and Pu’er regions of Yunnan, including 72 alkenes, 47 aromatic hydrocarbons, 42 heterocyclics, 28 ketones, 8 alcohols, 4 aldehydes, 3 esters, 13 phenols, 5 acetonitrile and 13 others. ROAV analysis indicated that o-cresol, guaiacol, 2,6-dimethyl-phenol, 4-hydroxy-3-methoxystyrene, (E,E)-2,4-hexadienal, butylbenzene, naphthalene, nicotine and D-limonene might be the key flavor compounds. By OPLS-DA, 2-methyl-pyridine, 2,4-dimethylfuran, 2-carene, 13-heptadecyn-1-ol, 1-ethyl-2-methyl-benzene, 2,3,5,8-tetramethyl-1,5,9-decatrien, 1-ethyl-4-methyl-benzene, β-elemene, methyl isobutyl ketone and 3-methylcyclopentanone were found to be the differential volatiles distinguishing samples from different areas. Eventually, 5 groups of potential flavor precursors were summarized and identified (cembranoid, phenylalanine, chlorophyll, carotenoid and reducing sugar). This research has provided theoretical guidance for the improvement of flavor quality of cigar smoke in Yunnan.

研究领域: 分析化学 · 食品科学 · 烟草化学 · 代谢组学 · 风味化学
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JOURNAL OF FOOD COMPOSITION AND ANALYSIS · 2025 · IF 4.6

Analysis of volatile components in Pheretima and its extracts using HS-GC-IMS and HS-SPME-GC-MS combined with ROAV

Tongtong Yang,Bo Tang,Junyi Tang,Chenqi Xu,Yanlong Hong,Fei Wu,Xiao Lin

Pheretima products are widely used, but the stenchy odor is a constraint to their application. In this study, 86 and 673 volatile components (VOCs) were identified in Pheretima and its extracts using headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS) and headspace solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS), respectively. An increase in acid and amine contents after processing was found, which may explain the increased stenchy odor. Through orthogonal partial least squares discriminant analysis (OPLS-DA), 14 differential markers between aqueous and alcoholic extracts were screened, and 3-methylbutanal, pentanal, and trimethylamine were identified as the key differential odor components. Combined with relative odor activity value (ROAV) analysis, 10 key odor components were identified, including: 3-methylbutanal, 1-octen-3-ol, dimethyl trisulfide, (2 E ,6 Z )-nona-2,6-dienal, methyl mercaptan, guaiacol, isobutyraldehyde, 1,8-cineole, 2-pentylfuran, and pentanal. This study provides theoretical support for the optimization of the odor of Pheretima-containing products and promotes their application.

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FOOD RESEARCH INTERNATIONAL · 2026 · IF 8.8

Flavor characterization of Chenxiang-type baijiu-Daoguang nianwu aged in wooden Jiuhai with different vintages integrating GC-E-nose, GC-IMS, GC-MS-O, ROAV and chemometrics approaches

Na Wang,Xiangyang Zhang,Li Xue,Zhen Zhang,Li Fu,Xuejiao Ren,Hui Zhang,Bo Zhang,Xiaoyu Jiang,Lili Zhang,Mei Wang

Daoguang nianwu (DGNW), a representative Chinese Chenxiang-type baijiu stored in wooden Jiuhai, features the distinctive “three aroma-types in one sip” profile. Six vintages (0, 1, 3, 5, 10 and 20 years) were analyzed via GC-E-Nose, GC-IMS, GC-MS-O, ROAV and chemometrics to characterize its aging aroma. A total of 130 aroma compounds were identified, with esters dominant at 43.08%. Young DGNW (0Y) exhibited more numerous key aroma-active components including ethyl 2-methylbutyrate, furfural, 4-ethylguaiacol and dimethyl trisulfide (DMTS), presenting “fruity”, “floral”, and “caramel” notes alongside “herbal, smoky” and “pickle” off-odors. In contrast, aged DGNW (5Y) displayed richer diversity with enhanced “sour”, “woody, fresh” notes attributed to hexanoic acid, ethyl octanoate, phenylethyl alcohol and heptanol, with complete elimination of off-odors. OPLS-DA revealed three aging stages: young (0Y), low-aged (1Y–3Y) and high-aged (5Y–20Y), identifying 5 years as the critical turning point with stabilization after 10 years. Cluster analysis (CA) validated 12 dual-functional key aging markers. Notably, most of 51 screened markers decreased during storage, including furfural—a pattern contrary to pottery-jar-aged baijiu. Based on these findings, we propose an “initial alkalinity to late acidity” hypothesis for the wooden Jiuhai aging environment, providing theoretical insights for optimizing wooden Jiuhai storage technology in Chinese baijiu production.

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INTERNATIONAL JOURNAL OF FOOD PROPERTIES · 2025 · IF 3.9

Metabolome analyses of two varieties of Anhua dark tea

Zhen Liu,Peidi Yang,Yang Zhao,Furong Qu,Yang Cheng

We performed volatile and nonvolatile metabolome analysis of Zhuyeqi (Z) and Baihaozao (B) dark teas during three stages of tea processing: (1) after withering and kneading (S), (2) after pile-fermenting (M), and (3) during drying and second kneading (Z). Our results indicate that the Z variety was rich in glycerophospholipids, isoflavonoids, morphinans, organic oxides, organic phosphonic acids, purines, and thiadiazines. A total of 427 metabolites were differentially accumulated between Z and B during three stages of processing (S, M, and Z). These metabolites were significantly enriched in ABC transporters, flavonoid biosynthesis, tyrosine metabolism, glutamic acid, linoleic acid metabolism, etc. Epicatechin, phenylacetic acid, (-)-cis-carveol, and neochlorogenic acid had higher levels in Z. Forty-three volatile compounds were differentially accumulated in BvsZ and their accumulation levels were affected by processing. The variety Z had a higher relative percentage of alcohols, and esters. Forty-six of the 75 substances contributed to the tea aroma. ZT had compounds with higher ROAV values such as furan (caramel-like and sweet fruity), 2-pentyl- (green beans, vegetable), heptanal (citrus, fatty, and rancid), and others. In total, 113 unique flavors were associated with substances that accumulated at higher levels in ZT. Our results suggest that Z offers a better composition and flavor profile than B due to the higher quantities of several health beneficial and taste-related compounds at the same processing stages.

CAS / MDL: 64-17-5
研究领域: 代谢组学 · 食品科学 · 植物生物化学 · 农业科学 · 分析化学
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LWT-FOOD SCIENCE AND TECHNOLOGY · 2024 · IF 6

Effects of Pediococcus acidilactici and Rhizopus Oryzae on protein degradation and flavor formation in fermented mutton sausages

Zihan Li,Wei Su,Yingchun Mu,Qi Qi,Li Jiang

Protein degradation occurs during the fermenting of traditional mutton sausages, which influences on the flavor and quality of products. In this study, HS-SPME-GC-MS and Sodium dodecyl sulfate-polyacrylamide gel electrophoresis were used to study the degradation kinetics of myofibrillar protein (MP) and sarcoplasmic protein (SP) during fermentation and ripening of fermented sausages by single and mixed starters ( Pediococcus acidilactici CICC 10344 and Rhizopus Oryzae ATCC 96382). It was shown that flavor formation and protein degradation are related. Adding mixed starters effectively reduced the loss of sulfhydryl content compared to single starter. Moreover, cathepsin B and cathepsin L activities were continuously enhanced during sausage fermentation. Analysis of SDS-PAGE showed processing affected protein degradation, and the degree of degradation was increased with increasing fermentation time. Meanwhile, the inoculation of mature sausage samples with mixed starters accelerated the production of water-soluble flavor compounds (e.g., free amino acids and TCA-soluble peptides). The mixed starters group had more amino acids presenting the umami-free amino acids. Based on the ROAV values for odor thresholds, we identified 12 key volatile flavor compounds. The correlation heat map showed higher concentrations of key volatile flavor compounds in the mixed starters. Overall, Pediococcus acidilactici and Rhizopus Oryzae addition may effectively improve the flavor quality of fermented sausage products during fermentation.

CAS / MDL: 108-94-1
研究领域: 食品科学 · 微生物学 · 蛋白质化学 · 风味化学
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