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Analytical Methods · 2025 · IF 2.6

Comparison of volatile compounds among different types of Tieguanyin oolong tea using DHI-GC-MS

Desen Su,Yunyun Zheng,Minmin Huang,Ziqiang Chen,Lisong Chen,Meizhen Chen,Qinghua Yao

Depending on the manufacturing process, Tieguanyin tea (TGY) is classified into three main groups, light flavor type (LFT), heavy flavor type (HFT), and stale flavor type (SFT). However, the compositions and contents of volatile compounds among TGY types were still unclear. This study aimed to develop an efficient method for the nonselective determination of volatile compounds in teas via direct-headspace injection coupled with gas chromatography mass spectrometry (DHI-GC-MS), and to perform a comprehensive comparison among these teas. One hundred and twelve volatile compounds belonging to 9 classes were identified. Among them, 33 common volatiles from 4 categories (aldehydes, alcohols, ketones, and acids) were the dominant volatiles and accounted for 71.5%, 73.0%, and 71.8% of the total amount in LFT, HFT, and SFT, respectively. E-Nerolidol, ethanol, acetic acid, and some volatiles with five and six-carbon chains were the key chemicals to distinguish three different TGY teas. With PLS-DA analysis, distinct differences among different groups were observed. The results generated from this study may offer valuable insights for better grading of TGY teas.

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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JOURNAL OF AOAC INTERNATIONAL · 2025 · IF 1.7

Exploring the changes of volatile compounds in crude and processed turmeric using GC-MS based volatilomics

Hu Xiaoliu,Zeng Zhaoxiang,Su Chao,Song Chengwu,Huang Rongzeng,Li Sen,Cao Shan,Jin Shuna

BackgroundIt is a common practice to process crude turmeric (CT) using different approaches, however, limited research is available on the comparison of volatile organic compounds (VOCs) before and after the processing.ObjectiveThis study investigated the impact of five different processing methods on the VOCs of CT before and after processing.MethodThe five types of processed turmeric included vinegar-treated turmeric (VT), mussel powder-treated turmeric (MT), water extract of rice-processed turmeric (RT), stir-fried turmeric (ST), and wine-processed turmeric (WT). The gas chromatography-mass spectrometry (GC-MS) technique was utilized to identify the volatile profiles. Volatilomics based on multivariate statistics was used to assess the key metabolic differences between five processed turmeric and CT within the VOCs.ResultsA total of 79 VOCs were detected between processed turmeric and CT, with terpenoids accounting for most of them. In the ST and WT groups, compared to the CT group, the number of changes in VOCs was relatively small, whereas in the VT, RT, and MT groups, there were a greater number of changes, with most metabolites exhibiting a downward trend. Through the volatilomics analysis, 13 potential differential compounds were screened out, among which there were three common differential compounds.ConclusionsThis study reveals the primary causes for the variations in VOCs in processed and CT, establishing the groundwork for evaluating the overall quality of processed turmeric and its use in therapeutic settings.HighlightsThe study systematically compared the effects of five different turmeric processing methods on VOCs using GC-MS-based volatilomics, providing a data reference for research on the changes in its pharmacological activity.

CAS / MDL: 544-76-3
研究领域: 植物化学 · 药理学 · 食品科学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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JOURNAL OF FOOD PROCESSING AND PRESERVATION · 2022 ·Vol. 46 ·期 11 ·e17107 · IF 2.609

Analysis of volatile flavor changes of sea urchin gonads and phospholipids after heating based on GC-IMS

Youjun Wang,Lu Jiang,Dongping An,Yangmeijin Zhao,Yuxuan He,Fangbing Wu,Hui Zhao,Xuefeng Lu,Hang Lu

To study the relationship between sea urchin phospholipids (SUP) and sea urchin gonads (SUG) in flavor production, volatile flavor components of SUG and SUP were analyzed and characterized with gas-ion mobility spectrometry (GC-IMS) combined with a flavor analyzer (Flavourspec®-G.A.S). A total of 48 volatile flavor compounds, mainly aldehydes (29), ketones (6), and esters (4), were identified in the heated SUG and SUP. By constructing flavor fingerprints of SUG and SUP, significant changes of flavor compounds were observed before and after heating. It was shown that some volatile compounds were detected in both SUG and SUP, such as E-2-octanal, 3-methylbutyraldehyde, 2,3 pentanedione, 2-pentylfuran, and trimethyl pyrazine, which were presumed to be mainly generated from flavor precursors in SUP after heating. Principal Component Analysis (PCA) showed significant differences of volatile flavor in SUG and SUP before and after heating, suggesting that heating played an important role in flavor production in sea urchins. Therefore, SUP heated was responsible for key flavor substances production in SUG, which can provide a scientific basis for the flavor fortmation mechanism of sea urchins. Novelty Impact Statement Analysis of the role of phospholipids on sea urchin flavor formation by comparing the flavor changes of sea urchin gonads and sea urchin phospholipids after heating will help understand the flavor formation mechanism in foods. Flavor components in sea urchin gonads and phospholipids were significantly changed after heating suggested that heating plays an important role in flavor production. Changes in phospholipids in sea urchin gonads may be related to changes in flavor.

CAS / MDL: 67-56-1
研究领域: 食品科学 · 海洋生物学
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MOLECULES · 2019 ·Vol. 24 ·期 23 ·4328 · IF 3.06

Simultaneous Determination of Six Compounds in Destructive Distillation Extracts of Hawthorn Seed by GC-MS and Evaluation of Their Antimicrobial Activity

Hongyu Rao,Peibo Li,Hao Wu,Chong Liu,Wei Peng,Weiwei Su

Hawthorn seed can be used to produce various bioactive compounds through destructive distillation. In this study, an accurate and feasible analytical method based on a gas chromatography mass spectrometer (GC-MS) was developed for simultaneous determination of six major compounds (contributing to more than 3% in total peak area) in destructive distillation extracts of hawthorn seed collected at different temperatures ranging from 150 to 270 °C. Then, a broth microdilution method coupled with grey correlation analysis was engaged in the evaluation of their antimicrobial activities and the screening of primarily active compounds. Results indicate that the extract collected from 211 to 230 °C had the highest content of six major compounds (furfural, 2-methoxyphenol, 2-methoxy-4-methylphenol, 4-ethyl-2-methoxyphenol, 2,6-dimethoxyphenol, and 5-tertbutylpyrogallol) and the strongest antibacterial activity. Besides, 2,6-dimethoxyphenol was found to be a potential compound in inhibiting the growth of vaginitis pathogens. This study provided an optimum temperature for the destructive distillation of hawthorn seed, reducing the waste of energy, and saving the cost of production in the hawthorn industry.Keywords:hawthorn seed;GC-MS;phenolic compounds;antimicrobial activity

研究领域: 植物化学 · 微生物学
✓ 已验证 DOI PubMed 高影响因子
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Foods · 2024 ·Vol. 13 ·期 2 ·340 · IF 4.7

Evaluation of Loquat Jam Quality at Different Cooking Times Based on Physicochemical Parameters, GC-IMS and Intelligent Senses

Mingfeng Qiao,Huan Xiong,Xuemei Cai,Yuqin Jiang,Xinxin Zhao,Baohe Miao

HighlightsWhat are the main findings?The color, energy, and texture properties of loquat jam changed with the prolongation of cooking time.The changes in the content of free amino acids, organic acids and volatile flavor substances with the cooking time caused variation in the olfactory and gustatory senses of loquat jam.There was a significant difference in the E-nose and E-tongue results of loquat jam cooked for 100 min and 120 min.What is the implication of the main finding?Heating and the resulting intramolecular interactions caused changes in the physicochemical parameters of loquat jam.Free amino acids, organic acids, and volatile substances contributed significantly to the flavor composition of loquat jam.When the cooking time reached 120 min, the olfactory and gustatory senses of loquat jam underwent significant changes.AbstractThe study compared and analyzed the quality of loquat jam with different cooking times through physicochemical parameters, headspace-gas chromatography-ion migration spectroscopy (HS-GC-IMS) and intelligent senses. The results showed that with the prolongation of the cooking time, the color of loquat jam slowly deepened, the energy significantly increased, the adhesiveness, gumminess, hardness and chewiness enhanced, the free amino acid content increased from 22.40 to 65.18 mg/g. The organic acid content increased from 1.64 to 9.82 mg/g. Forty-seven volatile flavor compounds were identified in five types of loquat jam using HS-GC-IMS, among which the relative content of aldehydes was sharply higher than that of other chemical substances, playing an important role in the flavor formation of loquat jam. LJ0, LJ1 and LJ2 had higher aldehyde content, followed by LJ3 and LJ4 had the lowest aldehyde content. The orthogonal partial least squares-discriminant analysis (OPLS-DA) screened 15 marker compounds that could distinguish five types of loquat jam. The E-nose results showed a significant difference in olfactory sense between loquat jam cooked for 100 and 120 min. The E-tongue results corroborated the results of free amino acids (FAAs) and organic acids, indicating that the gustatory sense of loquat jam changed significantly when the cooking time reached 120 min. The results provided a basis for further research on the relationship between the cooking process and quality characteristics of loquat jam.Keywords:loquat jam;cooking time;physicochemical parameters;GC-IMS;intelligent senses

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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ARCHIVES OF PHARMACAL RESEARCH · 2015 · IF 2.046

Simultaneous determination of 19 fatty acids in Antrodia camphorata by derivatized GC–MS and evaluation of antioxidant activity of Antrodia camphorata crude oil

Zhang Fengsu,Cai Hao,Liu Xunhong,Chen Fei,Yang Nianyun,Hou Ya,Ma Yang,Luo Yiyuan,Liu Juanxiu

To analyze the components of the fatty oil extracted from Antrodia camphorata fungus powder and to evaluate the antioxidant activity of A. camphorata crude oil. A derivatized gas chromatography mass spectrometry (GC–MS) was developed for the quantification of 19 fatty acids in extracts of A. camphorata obtained by supercritical carbon dioxide (SC-CO 2 ). Good separation was obtained under the optimized chromatographic conditions and 19 target compounds after methyl-esterification were identified by GC–MS on a HP-VOC capillary column (60 m × 320 μm × 1.8 μm) with an initial temperature set at 80 °C. The validity of the established method was examined experimentally with good linearity, intra-assay precisions, repeatability, stability and recovery. The antioxidant activity of A. camphorata crude oil was evaluated by 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical-scavenging assay. Nineteen fatty acids showed good linearity over the tested ranges (r > 0.9956) and the recovery ranged from 93.47 to 104.89 %. The crude oil extracted from A. camphorata fungus powder also revealed its antioxidant activity. It was the report about simultaneous determination of 19 fatty acids in A. camphorata and antioxidant activity of its crude oil for the first time. The established method might also be utilized for the investigation of edible plant materials and agricultural products containing fatty acids.

研究领域: 真菌学 · 分析化学 · 药理学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Animals · 2025 ·Vol. 15 ·期 6 ·844 · IF 2.7

Effects of Sodium Acetate and Sodium Butyrate on the Volatile Compounds in Mare’s Milk Based on GC-IMS Analysis

Shengchen Zheng,Jianwei Lin,Yong Chen,Changjiang Zang,Fan Yang,Jiahao Li,Xiaobin Li

Simple SummaryThis study examines the impact of sodium acetate and sodium butyrate supplementation on the compositional profile, blood biochemical parameters, and volatile flavor compounds of lactating mares’ milk. By employing comprehensive analytical techniques, including Gas Chromatography–Ion Mobility Spectrometry (GC-IMS), this study elucidates the effects of these additives on both the chemical composition and sensory attributes of the milk. The findings offer critical insights into optimizing its flavor profile, enhancing overall quality, market appeal, and nutritional value.This study aims to explore the impact of adding sodium acetate and sodium butyrate on the composition, blood biochemical parameters, and volatile flavor compounds of lactating mares’ milk. By assessing the influence of these additives on milk flavor enhancement, the findings provide scientific evidence for optimizing flavor characteristics and offer new strategies for improving the sensory attributes of mare milk products. Eighteen lactating Yili mares were randomly assigned to three groups: a control group, a sodium acetate group (85 mg/kg·BM−1), and a sodium butyrate group (85 mg/kg·BM−1). The experiment lasted 90 days, with milk yield recorded on days 0, 30, 60, and 90. Milk samples were collected on day 60 (peak lactation) for compositional analysis, and GC-IMS was employed to identify and quantify volatile compounds. Additionally, blood samples were drawn from the jugular vein before morning feeding on day 60 using heparinized tubes to assess key biochemical markers, including glucose, triglycerides, total cholesterol, and urea. The results revealed the following findings: (1) Milk yield and composition: The addition of sodium acetate and sodium butyrate had no significant effect on milk yield. However, both treatment groups exhibited significantly or extremely significantly higher milk fat content compared to the control group, whereas milk protein and lactose levels remained largely unchanged. (2) Blood biochemical indicators: The sodium butyrate group showed an extremely significant increase in urea levels compared to the sodium acetate and control groups. Glucose levels in the sodium acetate group were also significantly higher than in the control group. Moreover, triglyceride levels were markedly elevated in the sodium butyrate group compared to the sodium acetate group, while total bilirubin concentrations were significantly higher in the sodium acetate group than in the control group. (3) Volatile compounds: The addition of these additives led to a significant increase in the diversity and concentration of volatile compounds in mare milk. Notably, esters, aldehydes, and ketones showed substantial enrichment in both treatment groups. The relative abundance of esters such as butyl acetate, L-lactic acid ethyl ester, 1-pentene-3-ol, pentanol, and 3-pentanone increased, alongside a significant rise in aldehydes and ketones, including 2-heptenal and 3-pentanone. In conclusion, sodium acetate and sodium butyrate enhance milk flavor by modulating milk composition and metabolic parameters, providing a scientific foundation for improving the quality of mare milk products.

研究领域: 食品科学 · 动物营养学 · 代谢组学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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JOURNAL OF FOOD PROCESSING AND PRESERVATION · 2016 ·Vol. 41 ·期 4 ·e12995 · IF 0.894

Characterization of Volatile Compounds in Grass Carp (Ctenopharyngodon idellus) Soup Cooked Using a Traditional Chinese Method by GC–MS

Jin-Lin Li,Zong-Cai Tu,Lu Zhang,De-Rong Lin,Xiao-Mei Sha,Kai Zeng,Hui Wang,Juan-Juan Pang,Ping-Ping Tang

Fish has long been considered as an available source of high-quality protein in human diet. Grass carp ( Ctenopharyngodon idellus ) soup, produced with a traditional Chinese method, is one of the most favorite Chinese foods due to its pleasant smell and favorable test. Volatiles in grass carp soup produced with the method were investigated in this study. The volatiles were extracted with simultaneous distillation extraction (SDE) and solid phase micro-extraction (SPME) and analyzed by GC–MS. SDE was more efficient than SPME in extracting volatiles from grass carp soup. Combination the two methods, a total of 113 compounds, including 20 aldehydes, 8 ketones, 30 terpenes, 2 pyrazines, 6 sulfur compounds, 4 acids, 4 esters and 15 other compounds, were identified. Terpenes and aldehydes were the main volatile compounds in grass carp soup. Terpenes and aldehydes together with other kind of volatiles endow the grass carp soup with the favorite flavor. Practical Applications Grass carp ( Ctenopharyngodon idellus ), one of the “four major Chinese carps,” is one of the most important freshwater fish species in China and the world. Boiling with water, garlic and ginger after pan frying with oil is the most common traditional Chinese method to process grass carp. This study first revealed the volatile compounds in grass carp soup prepared by this method with GC–MS combined with AMDIS and LRT. The results are useful to help to understand the flavor smell of fish products, develop fish products and food additives with the traditional Chinese cooking method and promote the application of grass carp even freshwater fish in food industry.

研究领域: 食品科学 · 化学
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JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY · 2018 ·Vol. 132 ·期 3 ·1729-1740 · IF 2.209

Thermal stability and products chemical analysis of olive leaf extract after enzymolysis based on TG–FTIR and Py–GC–MS

Yuan Jiao-jiao,Tu Jun-ling,Xu Yong-jun,Qin Frank G. F.,Li Bing,Wang Cheng-zhang

Olive leaf extract pretreated by enzymolysis was selected for studying the thermal stability at different heating rates by thermogravimetric coupled with infrared spectroscopy (TG–FTIR) and nonisothermal theoretical analysis, and products analysis by pyrolysis–gas chromatography–mass spectrometry (Py–GC–MS). Results revealed that thermal decomposition of ethyl acetate extract from olive leaf extract pretreated by enzymolysis (EAEEH) consisted of two steps and had a lower thermal stability. The nonisothermal decomposition kinetics mechanism of EAEEH was D3 model (three-dimensional diffusion, Jander equation, the first step) and F3 model (chemical reaction, n  = 3, the second step). TG–IR showed –CH 3 , –C=C–, –OH, –C–O were continuously accelerated to produce, and evolved gas were CO 2 , water, CO and CH 4 at the end. In addition, it was found that there were mainly polyphenols with phenolic hydroxyl groups in the pyrolysis products by Py–GC–MS, and it was also explained for the thermal stability results. This will provide a theoretical guidance for thermal application of EAEEH in the safe natural food additives, cosmetic and medicine.

研究领域: 食品科学 · 化学工程 · 植物化学
✓ 已验证 DOI 高影响因子
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Analytical Methods · 2023 ·Vol. 15 ·期 6 ·849-858 · IF 3.1

Determination of volatile components in cumin by microwave-assisted PDMS/GO/DES headspace solid phase extraction combined with GC-MS

Dandan Li,Xinxing Jiang,Yaxue Zhang,Wenxia Xue,Jihong Fu

A novel approach based on polydimethylsiloxane/graphene oxide/deep eutectic solvent (PDMS/GO/DES) sponge headspace solid phase extraction followed by GC-MS was successfully developed to determine the volatile components in cumin. The PDMS/GO/DES exhibits outstanding properties with high adsorption capacity and good chemical stability, and has shown its potentiality as an ideal adsorbent for the extraction of volatile compounds. The influence factors of the extraction process were investigated. Excellent analytical performances were achieved, including wide linearity (0.60–107.72 ng) with high correlation coefficients (R2 ≥ 0.9951), low LODs (0.23–9.23 ng) and LOQs (0.54–18.47 ng), satisfactory precision (intra-day RSDs ≤ 2.85% and inter-day RSDs ≤ 3.92%). Under the optimal extraction conditions, the volatile components in 17 cumin samples from four origins in Xinjiang were analyzed and 31 compounds were identified. PCA was used to establish the relationship between the origins and the volatile compounds for further discriminant analysis. The results showed that the PDMS/GO/DES method was a rapid, simple and sensitive technique for the analysis of volatile components in spices.

研究领域: 分析化学 · 食品科学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Metabolites · 2022 ·Vol. 12 ·期 6 ·485 · IF 5.581

Effects of Different Pesticides on the Brewing of Wine Investigated by GC-MS-Based Metabolomics

Beibei Song,Yaoyao Zhou,Rong Zhan,Linjiang Zhu,Hanchi Chen,Zhi Ma,Xiaolong Chen,Yuele Lu

The application of pesticides is critical during the growth of high-quality grape for wine making. However, pesticide residues have significant influence on the wine flavor. In this study, gas chromatography-mass spectrometry (GC-MS) was performed and the obtained datasets were analyzed with multivariate statistical methods to investigate changes in flavor substances in wine during fermentation. The principal component analysis (PCA) score plot showed significant differences in the metabolites of wine treated with various pesticides. In trials using five pesticides (hexaconazole, difenoconazole, flutriafol, tebuconazole, and propiconazole), more than 86 metabolites were changed. Most of these metabolites were natural flavor compounds, like carbohydrates, amino acids, and short-chain fatty acids and their derivatives, which essentially define the appearance, aroma, flavor, and taste of the wine. Moreover, the five pesticides added to grape pulp exhibited different effects on the metabolic pathways, involving mainly alanine, aspartate and glutamate metabolism, butanoate metabolism, arginine, and proline metabolism. The results of this study will provide new insight into the potential impact of pesticide residues on the metabolites and sensory profile of wine during fermentation.Keywords:metabolomics;Gas Chromatographic-Mass Spectrometer(GC-MS);pesticide residue;fermentation broth;flavor substances

研究领域: 农业化学 · 食品科学 · 分析化学
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LWT-FOOD SCIENCE AND TECHNOLOGY · 2020 · IF 4.006

Rapid detection of Aspergillus spp. infection levels on milled rice by headspace-gas chromatography ion-mobility spectrometry (HS-GC-IMS) and E-nose

Shuang Gu,Wei Chen,Zhenhe Wang,Jun Wang,Yujia Huo

This study described the rapid detection of milled rice infected with Aspergillus spp. species based on headspace-gas chromatography ion-mobility spectrometry (HS-GC-IMS) and electronic nose (E-nose) combined with chemometrics, namely principal component analysis (PCA), k-nearest neighbor (kNN) and partial least squares regression (PLSR). 3D HS-GC-IMS imaging and their response differences enabled the discrimination among fungal species. kNN was used to differentiate rice samples with cdifferent levels of fungal infection and achieved correct classified rate of 94.44% and 91.67% by HS-GC-IMS and E-nose, respectively. PLSR method was used for quantitative regression of fungal colony counts in rice samples and good prediction performances were achieved by HS-GC-IMS (R p 2  = 0.909, RMSEP = 0.202) and E-nose (R p 2  = 0.864, RMSEP = 0.235). The results indicated that both HS-GC-IMS and E-nose approaches can potentially be implemented for the detection of fungal contamination levels in milled rice, and HS-GC-IMS fingerprinting coupled with chemometrics might be used as an alternative tool for a highly sensitive method. This research might provide scientific information on the rapid, non-destructive, and effective fungal detection system for rice grains .

研究领域: 食品科学 · 微生物学
✓ 已验证 DOI 高影响因子
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