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Analytical Methods · 2026 · IF 2.6

Identification of key aroma components in Rose Lujiu from different origins based on e-nose, e-tongue, GC-MS and GC-IMS

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.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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Foods · 2022 ·Vol. 11 ·期 17 ·2662 · IF 5.561

Effect of Drying Methods on Volatile Compounds of Citrus reticulata Ponkan and Chachi Peels as Characterized by GC-MS and GC-IMS

Xiangying Yu,Xiaochun Chen,Yuting Li,Lin Li

To reflect the volatile differences of dried citrus peel as affected by cultivars and drying methods, the volatile compounds of dried citrus peel of two cultivars (Citrus reticulata“Chachi” andCitrus reticulata“Ponkan”), prepared under three drying methods (sun-drying (SD), hot-air-drying (AD), and freeze-drying (FD)), were analyzed by GC-MS, odor activity values (OAVs), and GC-IMS. GC-MS data indicated that SD was favorable to preserve terpenic alcohols (linalool, α-terpineol and terpinene-4-ol), β-cymene, methyl methanthranilate, and monoterpenes; while AD was favorable to preserve aliphatic aldehydes and sesquiterpenes; and SD was more similar with AD in GC-MS analysis of volatile profile (of higher MW) for both cultivars from the PCA outcome. Furthermore, significant difference in volatile isomeric composition of different samples was also clearly demonstrated through extracted ion chromatogram (EIC) by GC-MS analysis. GC-IMS analysis showed the favorability of FD to preserve ketones, phenols, esters, and aromatic aldehydes; and SD was more similar with FD in GC-IMS analysis of volatile profile (of smaller MW) for both cultivars from the PCA outcome. Moreover, the OAVs indicate that 2-methoxy-4-vinylphenol contributed much to the flavor of dried Ponkan peel, while 2-methoxy-4-vinylphenol, methyl methanthranilate, and methyl anthranilate played an important role in the flavor of dried Chachi peel; and the highest OAVs for monoterpenes were observed at SD for both cultivars. Thus, the combination of GC-MS and GC-IMS analyses with PCA in this paper suggested the superiority of SD to preserve volatiles and characteristic aroma in dried citrus peel, and that SD contributed much to the quality of dried Chachi peel.Keywords:citrus peel;volatile compounds;sun-drying (SD);hot-air-drying (AD);freeze-drying (FD);GC-MS;GC-IMS

✓ 已验证 产品关联 DOI PubMed 高影响因子
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Foods · 2025 ·Vol. 14 ·期 14 ·2490 · IF 5.1

Influences of Non-Volatile Components on the Aroma of Strong-Aroma Baijiu by Gas Chromatography-Olfactometry and Recombination-Omission Test

Yingqi Zhou,Yihong Wang,Jia Zheng,Siyi Pan,Xiaoyun Xu,Fang Yuan

Aroma is an important indicator for evaluating the quality of baijiu. In this study, we determined the aroma-active compounds in four representative brands of strong-aroma baijiu from Sichuan and Jianghuai regions through GC-MS/O, and GC-TOF-MS quantification. In addition, the non-volatile composition of four baijiu samples was quantified by BSTFA derivatization and GC-MS. By constructing a full recombination model containing both volatile and non-volatile components, the effect of different groups of non-volatile compounds on the aroma of strong-aroma baijiu was evaluated through recombination-omission tests. A total of 72 aroma-active compounds and 59 non-volatile compounds were identified and quantified. The results indicated that pyrazines, furfural, and furan derivatives displayed higher aroma intensities in strong-aroma baijiu produced in Sichuan compared to that produced in Jianghuai. The recombination model that included both aroma-active and non-volatile compounds showed a closer resemblance to the original baijiu samples, underscoring the critical role these compounds play in shaping the dominant aroma profile of strong-aroma baijiu. Non-volatile compounds significantly influenced six aroma attributes: fruity, sweet, sauce, pit, acidic, and alcoholic notes. Omission tests revealed that among posorly volatile organic acids, monobasic acids had distinct effects on the aroma profile, while dibasic acids did not show any noticeable influence on the sensory characteristics.

CAS / MDL: 64-17-5 75-09-2
研究领域: 食品科学 · 分析化学 · 风味化学 · 感官分析 · 酿造技术
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Foods · 2026 ·Vol. 15 ·期 3 · IF 5.1

Characteristic Aroma Fingerprint Disclosure of Apples (Malus × domestica) by Applying SBSE-GC-O-MS and GC-IMS Technology Coupled with Sensory Molecular Science

Ning Ma,Jiancai Zhu,Heng Wang,Michael C. Qian,Zuobing Xiao

Apple aroma is an important factor influencing consumers’ preferences. To understand the overall flavor characteristics of apples (Ruixue, Liangzhi, Grystal Fuji, and Guifei), volatile compounds and aroma profiles were investigated by headspace–gas chromatography–ion mobility spectrometry (HS-GC-IMS) combined with stir bar sorptive extraction (SBSE) and gas chromatography–mass spectrometry (GC-MS). The results showed that a total of 56 aroma compounds were identified by SBSE-GC-MS, and 39 aroma-active compounds were screened out using aroma intensity (AI) and odor activity value (OAV). Aroma recombination experiments showed enhanced ‘fruity’ and ‘sweet’ notes, whereas ‘floral’, ‘woody’, and ‘green’ aromas were weaker compared to the Crystal Fuji sample. Additionally, GC-IMS coupled with principal component analysis (PCA) was used to distinguish the apple samples, and partial least squares regression (PLSR) was applied to explore the correlation between sensory attributes and characteristic aroma compounds. The results indicated that Crystal Fuji exhibited the greatest correlation with the “woody” attribute, and Ruixue was highly correlated with “fruity”, “green”, and “sour” attributes, while butanoic acid, β-damascenone, butyl acetate, pentyl acetate, furfuryl alcohol, γ-decalactone, and vanillin had a significant impact on the “flower” and “sweet” attributes of Guifei. This study clarified the characteristic aroma composition of the four apple cultivars, providing data support for apple flavor quality evaluation and cultivar optimization.

CAS / MDL: 539-90-2
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Foods · 2025 ·Vol. 14 ·期 18 ·3223 · IF 5.1

Unraveling the Key Odorants in Floral-Fruity Aroma Pu-Erh Tea via GC-O-MS, GC-MS/MS, Aroma Recombination, and Omission Tests

Xianxiu Zhou,Jiajing Hu,Hongchun Cui,Jiahao Tang,Yongwen Jiang,Haibo Yuan,Jiahua Li,Yanqin Yang

Floral–fruity aroma Pu-erh tea (FFAPET) is highly valued by consumers for its distinctive and appealing fragrance. This study conducted a comprehensive investigation into the volatile components of FFAPET using advanced analytical techniques, including GC-O-MS, GC-MS/MS, aroma recombination, and omission tests. Compared with traditional stale aroma Pu-erh tea, FFAPET exhibited higher levels of alcohols and alkenes. Through GC-O-MS combined with OAV analysis, 10 key active-aroma compounds were identified in representative FFAPET samples. These compounds included (E, E)-2,4-heptadienal, phenylethyl alcohol, geraniol, (E,Z)-2,6-nonadienal, (Z)-4-heptenal, 2-phenethyl acetate, 2,2,6-trimethylcyclohexanone,D-limonene,β-ionone, and linalool, all of which made significant contributions to the development of the characteristic floral–fruity aroma profile. Tests involving aroma recombination and omission further confirmed that seven of these odorants played essential roles in defining the overall aroma of FFAPET. These findings offer valuable theoretical insights for the enhancement and regulation of Pu-erh tea flavor, particularly for the optimization of the floral–fruity aroma characteristics.

CAS / MDL: 110-38-3
研究领域: 食品化学 · 风味科学 · 分析化学 · 茶叶科学
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Foods · 2026 ·Vol. 15 ·期 2 · IF 5.1

Screening of Four Microbes for Solid-State Fermentation of Hawk Tea to Improve Its Flavor: Electronic Nose/GC-MS/GC-IMS-Guided Selection

Yi-Ran Yang,Wei-Guo Cao,Chen-Yu Li,Shu-Yan Li,Qin Huang

Hawk tea (Litsea coreanaLevl. var.lanuginosa), a naturally caffeine-free herbal beverage widely consumed in Southwest China, is characterized by a pronounced camphoraceous note that often deters first-time consumers. In this study, hawk tea leaves were subjected to solid-state fermentation with four microbial strains—Monascus purpureus,Aspergillus cristatus,Bacillus subtilis, andBlastobotrys adeninivorans. The volatile compounds of unfermented and fermented hawk teas were identified by ultra-fast gas chromatography electronic nose (ultra-fast GC e-nose), gas chromatography–mass spectrometry (GC-MS) and gas chromatography–ion mobility spectrometry (GC-IMS) analyses, respectively. Furthermore, the calculation of odor activity values (OAVs) and relative odor activity value (ROAV) revealed that 6 and 25 volatile chemicals, including perillaldehyde (OAV 3.692) and linalool (ROAV 100), were the main contributors to the floral, fruity, and woody aroma of fermented hawk tea. Sensory evaluation confirmed that fermentation generally enhanced woody notes while significantly reducing the characteristic camphoraceous and oil oxidation odors. Notably, theBlastobotrys adeninivorans-fermented sample exhibited the most pronounced floral and fruity nuances, accompanied by significantly elevated aroma complexity and acceptability. Consequently,Blastobotrys adeninivoransrepresents a promising starter culture for the improvement of hawk tea flavor.

CAS / MDL: 108-94-1
✓ 已验证 产品关联 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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ANALYTICAL CHEMISTRY · 2020 · IF 6.785

Novel GC/Py/GC/IRMS-Based Method for Isotope Measurements of Nitrate and Nitrite. I: Converting Nitrate to Benzyl Nitrate for δ18O Analysis

Bo Wang,Shuai Zheng,Yan Huang,Ying Wang,Zhenyu Zhu,Ran Ma,Yu Zhao,Xijie Yin,Jing Su,Juan Xiong,Benli Zhang,Youping Zhou

The 18O/16O (and 15N/14N) ratio of natural nitrate (NO3–) and nitrite (NO2–) can be used to extract valuable information about their source and fate as environmental contaminants, their metabolism as macronutrients in plants and animals, and their behavior in the N biogeochemical cycle. We developed an accurate, precise, sensitive (minimum sample size: 0.2 μg NO3–-equivalent), and reliable (minimal oxygen exchange, loss, or gain) method to selectively isolate and purify nitrate and nitrite from natural water, soil, air, and plant materials by strong anion exchange (SAX) for low- to normal-salinity samples or strong cation exchange (SCX) for high-salinity samples, followed by quantitative conversion to their respective benzyl esters, which can be separated and individually analyzed for δ18O (and potentially δ15N) by gas chromatography (GC)/pyrolysis/GC/isotope-ratio mass spectrometry (IRMS). The method compares favorably with the currently popular bacterial denitrification and chemical reduction methods, in terms of sensitivity and reliability, and has the potential to simultaneously measure δ15N and δ18O of nitrate and nitrite from natural samples of various origins.

CAS / MDL: 100-39-0
✓ 已验证 产品关联 DOI PubMed 高影响因子
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ANALYTICAL AND BIOANALYTICAL CHEMISTRY · 2021 ·Vol. 413 ·期 23 ·5789-5798 · IF 4.157

Behavioral responses of Platycladus orientalis plant volatiles to Phloeosinus aubei by GC-MS and HS-GC-IMS for discrimination of different invasive severity

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.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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JOURNAL OF CHROMATOGRAPHIC SCIENCE · 2023 · IF 1.3

Quality Evaluation of Volatile Oil in Yanyangke Mixture (YM) Based on GC–MS Fingerprint, GC Multicomponent Quantitative Analysis and Chemical Pattern Recognition Analysis

Liang Xiaolian,Yang Zhengteng,Ma Jiabao,Wang Minggang,Zhao Fengxian,Zhou Chuhui,Feng Jiaru,Song Haimei,Chen Yong,Gui Xiongbin

Yanyangke mixture (YM) is composed of 12 kinds of traditional Chinese medicine (TCM) used for the treatment of patients with cough, dry throat and other diseases caused by acute or chronic pharyngitis or patients with difficulty in expectoration. With the wide application of YM in clinical practice, its quality control has attracted huge attention. Based on the multi-component characteristics of Chinese herbal medicines, it is pertinent to establish a quality evaluation system. A new idea is to adopt gas chromatography–mass spectrometry (GC–MS) chemical composition identification, GC–MS fingerprint, and GC content determination as a potential quality control index of the volatile oil in YM. In this study, the volatile oil of YM was extracted by steam distillation, and the chemical components of the volatile oil were analyzed by GC–MS, and 43 chemical components were identified. The fingerprint of the volatile oil from YM was established and the similarity evaluation was performed. Combined with chemometric methods, such as cluster analysis, principal component analysis and partial least squares analysis, the chemical composition differences of the volatile oil from different batches of YM were compared and the symbolic components affecting the quality of the volatile oil from different batches of YM were excavated. Finally, three components were selected as the potential active component markers of YM and the GC content determination method of these three components was established. A rapid, reasonable, and effective quality evaluation and control method of YM volatile oil was established, which provided a reference for further development and research on YM, as well as a new idea for research on other TCM prescriptions.

CAS / MDL: 4179-19-5
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Heliyon · 2024 · IF 3.4

Analysis of differences in aroma and sensory characteristics of the mainstream smoke of six cigars

Lin Yang,Lulu Liu,Lingbo Ji,Chenxi Jiang,Zhongrong Jiang,Dongliang Li,Zhen Yang,Wen Cai,Quanwei Zhou,Jinshan Lei,Pinhe Li,Yuhong Jia,Jie Liu,Heng Xu,Jun Hu

Cigars have unique aroma and style characteristics. In order to clarify the differences of aroma components between domestic and imported cigars and the material basis of the stylistic characteristics of different cigars, gas chromatography-mass spectrometry (GC-MS) and sensory evaluation were used to compare and analyze the aroma components in the mainstream smoke of four domestic cigars and two imported cigars. The GC-MS results showed that a total of 97 aroma components were measured in the smoke of the six cigars, and the types of aroma components were similar, but there were differences in their contents. In comparison with those of domestic cigars, imported cigars had suitable nicotine content, and higher contents of phytol, neophytadiene, 3-methylpentanoic acid, and (+)-δ-cadinene. To further explore the differences in the aroma components of the six cigars, GC-MS data combined with chemometrics were used to screen out 14 key aroma components based on P -value (P) < 0.05, Variable Importance Projection (VIP) > 1, and Aroma Activity Values (OAV) > 1. The key aroma components of each cigar were obtained, Snow Dream No. 5: cedrol; Wangguan Guocui: 6-methyl-5-hepten-2-one, pyridine, 2-ethyl-6-methylpyrazine; General Achileus No. 3: p-cresol, 2-methylbutyraldehyde, methyl cyclopentenolone; Montecristo No. 4: cedrol, 2-methylbutyraldehyde, guaiacol, 4-vinylguaiacol, methyl cyclopentenolone; Romeo y Julieta Wide Churchills: cedrol, 2,6-dimethylpyrazine, 2-ethyl-6-methylpyrazine, 2-heptanone, phenethyl alcohol; Great Wall No. 2: p-cresol, phenethyl alcohol, geranylacetone, methyl cyclopentenolone, dihydroactinidiolide. The odor descriptors of these compounds were consistent with the aroma profiles that were prominent in the senses of each cigar. This experiment initially explored the differences in aroma composition and style characteristics of cigars and provided data to support the quality improvement of domestic cigars.

CAS / MDL: 1577-18-0 120-45-6
研究领域: 烟草科学 · 分析化学
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CHEMICAL & PHARMACEUTICAL BULLETIN · 2014 ·Vol. 62 ·期 6 ·505-507 · IF 1.375

An Evaluation of Acute Hydrogen Sulfide Poisoning in Rats through Serum Metabolomics Based on Gas Chromatography-Mass Spectrometry

Meiling Zhang,Mingjie Deng,Jianshe Ma,Xianqin Wang

Hydrogen sulfide (H2S) is the second leading cause of toxin-related deaths in the operational site. Its main target organs of toxic effects are the central nervous system and respiratory system. In this study, we developed a serum metabonomic method, based on gas chromatography-mass spectrometry (GC/MS), to evaluate the effect of acute poisoning by hydrogen sulfide on rats. Pattern recognition analysis, including both principal component analysis (PCA) and partial least squares-discriminate analysis (PLS-DA), revealed that acute hydrogen sulfide poisoning induced metabolic perturbations. Compared to the control group, the level of urea, glucose, glyceryl stearate in rat serum of the poisoning group increased after two hours, and the level of glucose, docosahexaenoic acid, glyceryl stearate and arachidonic acid in rat serum of the poisoning group increased after 48 h, while the l-valine, galactose, l-tyrosine levels decreased. Our results indicate that metabonomic methods based on GC/MS may be useful to elucidate acute hydrogen sulfide poisoning through the exploration of biomarkers.

研究领域: 毒理学 · 分析化学 · 医学
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