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FOOD RESEARCH INTERNATIONAL · 2024 · IF 7

Analysis of flavor substances changes during fermentation of Chinese spicy cabbage based on GC-IMS and PCA

Wenkui Guo,Meiru Cheng,Xuemei Dong,Chuan Liu,Yu Miao,Peng Du,Hong Chu,Chun Li,Libo Liu

This study employed a combination of principal component analysis (PCA) and gas chromatography-ion mobility spectrometry (GC-IMS) to examine the distinctive taste mixtures produced by Chinese spicy cabbage (CSC) fermented at varying temperatures. As the fermentation progressed, the pH gradually decreased and stabilized after the 11 days of fermentation, and the total content of organic acids and short-chain fatty acids increased. A total of 49 volatile mixtures were detected during CSC fermentation and storage for 21 days. These included 7 aldehydes, 6 alcohols, 7 esters, 6 ketones, 5 pyrazines, 4 sulfides, 4 phenols, 2 ethers, 2 olefins, and 1 acid. With time, the content of most volatile flavor substances decreased. PCA of the signal intensities of the volatile chemicals in the samples showed significant differences in the flavor of CSC fermented at different temperatures; consequently, the samples fermented at different temperatures were effectively separated in relatively independent regions of CSC. Therefore, low-temperature fermentation and storage at 4 °C were more suitable for CSC. Based on the identified volatile chemicals, HS-GC-IMS and PCA could effectively construct the flavour fingerprints of CSC samples. This study provided a theoretical basis for improving the fermentation quality of CSC.

研究领域: 食品科学 · 分析化学
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Food Chemistry-X · 2024 · IF 6.5

Characterization of flavor substances in cooking and seasoned cooking brown seaweeds by GC-IMS and E-nose

Shan Jiang,Pengfei Jiang,Dingding Feng,Meiran Jin,Hang Qi

The flavor of algae was one of the key factors for consumer acceptance. The objective of this study was to investigate the characteristic volatile compounds in cooking and seasoned cooking edible brown seaweeds ( Undaria pinnatifida and Laminaria japonica ). The gas chromatography-ion mobility spectrometry (GC-IMS) and electronic nose (E-nose) analysis showed that baking resulted in significant difference in flavor of brown seaweeds. However, the overall effect of cooking was not as significant as that of the seasoning solution treatment. Additionally, brown seaweeds treated with the seasoning solution were more acceptable. Undaria pinnatifida was found to contain 72 volatile flavor compounds, while Laminaria japonica had a total of 70. This study proved the applicability of GC-IMS combined with E-nose technology to detect the changes of volatile components of brown seaweeds after processing, providing beneficial knowledge and basic theory for the deep processing of brown seaweeds.

研究领域: 食品科学 · 海洋生物学
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Journal of Food Measurement and Characterization · 2024 · IF 2.9

Early identification of Aspergillus spp. in vitro based on HS-GC-IMS and electronic nose

Chen Huajiang,Luo Yanran,Xing Guiqing,Shi Yongqing,Gu Shuang,Wang Xiangyang

Aspergillus spp. are common dominant fungi in the moldy agricultural products. Different Aspergillus species exhibit high morphological and genetic sequence similarity, making identification challenging. The measurement of mycelial growth in these Aspergillus species often requires a relatively long time. Therefore, there is a need to develop a new rapid method for identifying Aspergillus species and monitoring their growth. The volatile compounds released by five Aspergillus species on culture media were detected by gas chromatography-mass spectrometer (GC–MS), electronic nose and headspace-gas chromatography-ion migration spectrometry (HS-GC-IMS), their characteristic volatile signals were captured, the models for identifying Aspergillus species were established, and prediction models for mycelial growth of five Aspergillus species were developed. The results showed that the LDA classification training set model constructed using the fusion of GC-IMS and electronic nose data achieved a 100% accuracy rate for identifying Aspergillus species in the training set and an 83.3% accuracy rate in the test set, significantly outperforming models based on HS-GC-IMS or electronic nose data alone. When the result combined with morphological analysis, a 100% accuracy rate in identifying Aspergillus species could be achieved. The partial least squares regression (PLSR) prediction models for mycelial growth in Aspergillus species, constructed using both fusion electronic nose data and HS-GC-IMS data, demonstrated high accuracy with prediction accuracies greater than 0.972 for all five species. The prediction model based solely on electronic nose data had lower accuracy, while models using HS-GC-IMS data alone or its combined with electronic nose data achieved good results. This fusion approach of HS-GC-IMS and electronic nose might have the potential to serve as a preliminary screening tool for fungi identification.

研究领域: 微生物学 · 食品科学
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JOURNAL OF CHROMATOGRAPHY A · 2024 · IF 3.8

Discrimination of coal geographical origins through HS-GC-IMS assisted with machine learning algorithms in larceny case

Wenhui Lu,Chunli Ding,Mingshuo Zhu

The process of globalization and industrialization has resulted in a rise in the theft of coal and other related products, thereby becoming a focal point for forensic science. This situation has engendered an escalated demand for effective detection and monitoring technologies. The precise identification of coal trace evidence presents a challenge with current methods, owing to its minute quantity, fine texture, and intricate composition. In this study, we integrated machine learning with the identification of volatiles to accurately differentiate coal geographical origins through the application of headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS). The topographic distribution of volatiles in coals was visually depicted to elucidate the subtle distinctions through spectra and fingerprint analysis. Additionally, four supervised machine learning algorithms were developed to quantitatively predict the geographical origins of natural coals utilizing the HS-GC-IMS dataset, and these were subsequently compared with unsupervised models. Remarkable volatile compounds were identified through the quantitative analysis and optimal Random Forest model, which offered a rapid readout and achieved an average accuracy of 100 % in coal identification. Our findings indicate that the integration of HS-GC-IMS and machine learning is anticipated to enhance the efficiency and accuracy of coal geographical traceability, thereby providing a foundation for litigation and trials.

研究领域: 法医学 · 分析化学 · 数据科学
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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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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
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FOOD RESEARCH INTERNATIONAL · 2025 · IF 8

Formation of volatile compounds in mutton during air fryer roasted mutton by means of GC–MS and GC-IMS

Weiming Hua,Huan Liu,Qichao Fei,Jincheng Wu,Xiangru Wei,Matta Ebaid,Runmi Tao,Dengyong Liu,Shengmei Gai

This study aimed to explore the changes in volatile compounds in mutton during roasting in an air fryer, using solvent-assisted flavor evaporation-gas chromatography–mass spectrometry (SAFE-GC–MS) and gas chromatography-immersion mass spectrometry (GC-IMS). Significant differences in the volatile compound profiles of different samples were detected using both GC-IMS, an electronic nose and GC–MS analysis. Among them, compounds such as ( E , E )-2,4-decadienal, ( E )-2-heptenal, and octanal showed a gradual increase in concentration throughout the roasting process. This increase was likely attributed to the oxidation of oleic and linoleic acids. Additionally, the levels of glucose, ribose, and free amino acids gradually decreased, as these compounds were consumed during the Maillard reaction, which caused the formation of volatile compounds like 2,5-dimethylpyrazine, methylpyrazine, and 3-ethyl-2,5-dimethylpyrazine. This study provided valuable insights into the use of air fryers as a novel approach for enhancing the flavor of meat products.

研究领域: 食品科学 · 分析化学
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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
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FOOD RESEARCH INTERNATIONAL · 2023 · IF 8.1

Characteristic flavor fingerprint disclosure of dzo beef in Tibet by applying SAFE-GC-O-MS and HS-GC-IMS technology

Junwen Wan,Qian Liu,Changzhong Ma,Bertrand Muhoza,Yaling Huang,Min Sun,Shiqing Song,Chi-Tang Ho

To understand the overall flavor of the dzo beef, fatty acids, volatile compounds and aroma profiles of dzo beef samples (raw beef (RB), broth (BT) and cooked beef (CB)) were investigated by head-space-gas chromatography-ion mobility spectrometry (HS-GC-IMS) and gas chromatography-mass spectrometry (GC–MS). The fatty acid analysis showed a decrease in the ratio of polyunsaturated fatty acids, such as linoleic acid, which decreased from 2.60 % in RB to 0.51 % in CB. The principal component analysis (PCA) showed that HS-GC-IMS was able to distinguish different samples. A total of 19 characteristic compounds with odor activity value (OAV) > 1 were identified by gas chromatography–olfactometry (GC-O). Fruity, caramellic, fatty and fermented attributes were enhanced after stewing. Butyric acid and 4-methylphenol were responsible for the stronger off-odor in RB. 3-Hydroxy-2-butanone and 2,5-dimethyl-4-hydroxy-3(2 H )-furanone with buttery and caramellic attributes were dominated in BT, while ( E )-2-nonenal, ( E , E )-2,4-decadienal and ( E , E )-2,4-nonadienal prominently conferred fatty attribute on CB. Furthermore, anethole with anisic aroma was first identified in beef, which may be one of the typical chemical markers that distinguish dzo beef from other varieties.

CAS / MDL: 71-43-2 1731-88-0
研究领域: 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
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International Journal of Gastronomy and Food Science · 2025 · IF 3.6

Evolution of Key Flavor Compounds in Sonit Sheep Lamb During Grilling Process Using HS-GC-IMS, E-nose, E-tongue, and Physicochemical Techniques

Huiying Wu,Wensheng Yao,Shuangyu Ma,Dengyong Liu,Mingcheng Zhang

In this study, the evolution of key flavor compounds in sonit sheep lamb during grilling process has been studied by the E-nose, E-tongue, HS-GC-IMS technique and physicochemical methods. The results showed that the moisture content in lamb decreased, protein content increased due to water loss, fat content reduced due to thermal degradation during the grilling process. The pH showed an initial rapid decrease with significant differences at various grilling times (P < 0.05). The E-nose and E-tongue were found effective in distinguishing lamb samples during grilling duration. A total of 83 volatiles were identified by HS-GC-IMS. Among them, 29 flavor compounds with VIP > 1 were identified as the key flavor substances using the OPLS-DA model. Ethyl acrylate was the main characteristic flavor compounds in raw Sonit Sheep lamb, while ethanol and 1-butanol were determined as the key flavor compounds at 3 and 6 min. Ethylpyrazine, (E)-2-octenal, and nonanal are key substances at 9 min grilling. When grilled for 12 min, the flavor compounds such as 2-methylpropanal, ethyl ethanoate, and trimethylpyrazine became the most important flavor compound in the grilled lamb.

CAS / MDL: 1310-73-2
研究领域: 食品科学 · 分析化学
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POSTHARVEST BIOLOGY AND TECHNOLOGY · 2020 · IF 4.303

Rapid determination of potential aflatoxigenic fungi contamination on peanut kernels during storage by data fusion of HS-GC-IMS and fluorescence spectroscopy

Shuang Gu,Wei Chen,Zhenhe Wang,Jun Wang

This study described the rapid determination of potential aflatoxigenic fungi contamination on peanut kernels based on headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS) coupled to fluorescence spectroscopy. Data-level and feature-level fusion strategies were introduced to integrate HS-GC-IMS and fluorescence spectra, aiming at improving the performances of identification and prediction models. The application of feature-level data fusion using first 10 PCs coupled with orthogonal partial least squares discriminant analysis (OPLS-DA) offered more accurate characterization (96.7 %) for aflatoxigenic and non-aflatoxigenic fungal infection on peanut samples. Regression models were established for predicting colony counts of peanuts infected with aflatoxigenic fungi based on independent and fused signals by partial least squares regression (PLSR). Feature-level data fusion using first 10 PCs achieved the best performances in colony counts predictions for A. flavus (R 2 = 0.950) and A. parasiticus (R 2 = 0.971). These results demonstrated that the combination of HS-GC-IMS and fluorescence spectra might offer the feasibility for early detection of potential aflatoxigenic risk in peanuts.

研究领域: 食品科学 · 微生物学
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