JOURNAL OF FOOD SCIENCE
·
2025
·Vol. 90
·期 12
·e70753
·
IF 3.4
Yu-Mei Zhai,Yongcheng Liao,Hong Li,Hui-dan Xiang,Weiwei Wu,Xiao-Juan Tang,Min Gong,Yun-Guo Liu
Honeysuckle samples from various plots in Pingyi County, Linyi City were selected and analyzed by integrating electronic tongue (E-tongue), electronic nose (E-nose), HS-SPME-GC-MS, and GC-IMS technologies with multivariate statistical analysis methods, a systematic analysis of the flavor characteristics and plot differentiation patterns of volatile organic compounds (VOCs) was conducted in the study. The results indicated that the E-tongue provided distinct sensor response patterns that correlated with taste attributes such as sweetness and bitterness, effectively discriminating samples from different plots. E-nose analysis further showed that aroma-related response intensities exhibited significant plot-based variation. Through HS-SPME-GC-MS and GC-IMS techniques, a total of 203 volatile components were identified. Based on HS-SPME-GC-MS data, using VIP > 1 and OAV ≥ 1 as screening criteria, seven key volatile markers were determined. From the GC-IMS data, 24 characteristic compounds were screened out using the criterion of VIP > 1, with aldehydes comprising the highest proportion. Furthermore, the random forest (RF) algorithm was employed to integrate these two sets of data. Monte Carlo cross-validation showed that the model accuracy reached 1.0, successfully identifying 15 key volatile compounds. This study provided a theoretical foundation and data support for optimizing the quality evaluation system of honeysuckle and innovating origin traceability technology through multi-dimensional flavor analysis and key marker screening.
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Food Chemistry-X
·
2026
·
IF 9.2
Hongrui Lv,Shang Guo,Min Zhu,Fang Gao
Vinegar is a traditional fermented flavouring, which has been a commercial product for thousands of years. Ganoderma vinegar (GV), Astragalus vinegar (AV), and Winter jujube vinegar (WV) are new functional health vinegars. The study aimed to recognize and compare the volatile compounds (VOCs) and non-volatile compounds (NVCs) in these vinegars based on metabolomic fingerprint. A total of 2417 differentially accumulated metabolites were screened out, which were classified as 8 clustering patterns using K-means method. The relative contents of 1076, 884, 457 metabolites were highest in GV, AV, WV, respectively, indicating GV dominating the comparative profile. Most VOCs were correlated with sweet, followed by fruity, green, woody, floral, herbal, waxy, fresh, spicy, balsamic, nutty, apple. The characteristics of NVCs exhibited that GV was dominant, followed by AV and WV. The study provided reference for investigation of authenticity, quality and origin of vinegars, and contributed to medical treatment of vinegar.
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FOOD CHEMISTRY
·
2025
·
IF 9.8
Baoqing Bai,Junnan Li,Ziqing Zhang,Ying Zhang,Tao Bo,Jinhua Zhang,Ligang Yu,Sanhong Fan,Yukun Yang
This study characterized the flavor profile of Huangjiu brewed with Polygonatum sibiricum and Broomcorn millet (HJMHJ) using headspace solid phase microextraction-comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (HS-SPME-GC × GC-TOF-MS), gas chromatography-ion mobility spectrometry (GC-IMS) and intelligent sensory technologies. The results identified six volatile compounds (isobutyric acid, dibutyl phthalate, α-terpineol, β-damascenone, 2-pentyl-furan and γ-nonalactone) as the key aroma compounds. Metabolic network analysis revealed that glycolysis plays a crucial role in Huangjiu metabolism. Ultra-fast gas-phase electronic nose (UF-GC-E-nose) demonstrated a strong association between HJMHJ and acetoin, while electronic-tongue (E-tongue) indicated that HJMHJ exhibited the highest response to freshness, the lowest to sweetness and an intermediate to bitterness. Molecular docking showed that OR1A1 exhibits the strongest binding energy (−8.1 kcal/mol) to β-damascenone through hydrogen bonding and hydrophobic interactions. This study provides theoretical support for the incorporation of herbs into Huangjiu production.
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ANALYTICAL LETTERS
·
2023
·
IF 2
Lijun Ni,Qingmei Lu,Huanyao Hou,Liguo Zhang,Shaorong Luan
The volatile components of honeysuckle were determined using hydro-distillation (HD), water extraction coupling rectification (WER), and water extraction coupling rectification with solvent extraction (WER-SE). Gas chromatography–mass spectrometry (GC–MS) and headspace solid-phase microextraction–gas chromatography–mass spectrometry (HS-SPME/GC–MS) identified 127 compounds. There were 27 common compounds extracted by these methods. A heatmap of the 27 common compounds indicates that WER-SE and WER were complementary approaches. In addition, 59 compounds were detected for the first time in honeysuckle. The results of this study provide a reference for the determination of volatile components in plants.
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MOLECULES
·
2014
·Vol. 19
·期 4
·4857-4879
·
IF 2.095
Chen Li,Feng Xu,De-Mei Xie,Yu Jing,Ming-Ying Shang,Guang-Xue Liu,Xuan Wang,Shao-Qing Cai
Traditional Chinese Medicine (TCM) nasal therapy has been utilized to treat numerous diseases for over two millennia. It has many advantages compared with other routes. In this article, headspace-solid phase microextraction-gas chromatography-mass spectrometry and high performance liquid chromatography-atmospheric pressure chemical ionization-ion trap-time of flight-multistage mass spectrometry were applied for the first time to analyze the absorbed constituents in rabbit plasma and cerebrospinal fluid (CSF) after intranasal administration of Asari Radix et Rhizoma (AR). In total, 47 absorbed AR constituents including 14 monoterpenes, 10 phenylpropanoids, four benzene derivatives, two alkanes, nineN-alkylamides and eight lignans were tentatively identified in the rabbit plasma and CSF. Thirty-three absorbed constituents are found to have different bioactivities related to the pharmacological actions of AR through bibliography data retrieval. These indicated that many types of constituents of TCM can be absorbed at the nasal cavity into both rabbit blood and CSF. This is the first study to explore the absorption of AR, and comprehensively analyze the absorbed constituents after intranasal administration of TCM. These findings extend our understanding of the effective substances of AR, and inspire us to make a hypothesis on the mechanism of additive effect of multiple constituents of TCMs, which is very worthy of further investigation.Keywords:nasal therapy;Asarum heterotropoidesvar.mandshuricum;intranasal administration;effective substance;cerebrospinal fluid;absorption;SPME;GC-MS;LC-MS;additive effect
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FOOD CHEMISTRY
·
2015
·
IF 3.391
Yunzi Feng,Yu Cai,Dongxiao Sun-Waterhouse,Chun Cui,Guowan Su,Lianzhu Lin,Mouming Zhao
Aroma extract dilution analysis (AEDA) is widely used for the screening of aroma-active compounds in gas chromatography–olfactometry (GC–O). In this study, three aroma dilution methods, (I) using different test sample volumes, (II) diluting samples, and (III) adjusting the GC injector split ratio, were compared for the analysis of volatiles by using HS-SPME–AEDA. Results showed that adjusting the GC injector split ratio (III) was the most desirable approach, based on the linearity relationships between Ln (normalised peak area) and Ln (normalised flavour dilution factors). Thereafter this dilution method was applied in the analysis of aroma-active compounds in Japanese soy sauce and 36 key odorants were found in this study. The most intense aroma-active components in Japanese soy sauce were: ethyl 2-methylpropanoate, ethyl 2-methylbutanoate, ethyl 3-methylbutanoate, ethyl 4-methylpentanoate, 3-(methylthio)propanal, 1-octen-3-ol, 2-methoxyphenol, 4-ethyl-2-methoxyphenol, 2-methoxy-4-vinylphenol, 2-phenylethanol, and 4-hydroxy-5-ethyl-2-methyl-3(2H)-furanone.
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FOOD CHEMISTRY
·
2024
·
IF 8.5
Ligang Yu,Ying Pang,Guang Shen,Baoqing Bai,Yukun Yang,Maomao Zeng
This work aimed to investigate the effects of frozen storage on volatile compounds of white meats (chicken and duck) and red meats (pork, beef, and mutton). The samples were stored at −18 °C for 0, 2, 4, 10, 18 weeks, and volatile compounds were analyzed by headspace solid-phase microextraction coupled with gas chromatography–mass spectrometry. Results indicated that the total amounts of volatile compounds increased with frozen storage duration of meats. The correlations were observed between frozen storage duration and levels of 2-ethyl-1-hexanol, tetradecane, nonanal, decanal, octanal, tridecanal, benzaldehyde, pentadecane, propanoic acid,2-methyl-,3-hydroxy-2,2,4-trimethylpentyl ester, heptadecane, and hexanal ( r = 0.7456–0.9873). Levels of octanal and propanoic acid,2-methyl-,3-hydroxy-2,2,4-trimethylpentyl ester in white meat and benzaldehyde in red meat versus frozen storage duration fitted very well with zero-order reactions. Therefore, it was concluded that changes in volatile compounds derived from lipid oxidation may be used as indicators of quality deterioration during frozen storage of meat.
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Food Bioscience
·
2025
·
IF 5.9
Lu Feng,Jingxia Yang,Liping Sun,Xiaoyan Zhu,Wei Lan,Guangqing Mu,Xuemei Zhu
We evaluated the changes in volatile and nonvolatile flavor substances after fermented milk was fermented by Lacticaseibacillus rhamnosus WH. FH-19 using Headspace Solid Phase Microextraction-Gas Chromatography-Mass Spectrometry (HS-SPME-GC-MS) and High-Performance Liquid Chromatography-Mass Spectrometry (HPLC-MS). The results have shown that the addition of L. rhamnosus WH. FH-19 can increase the contents of acetoin and 2-nonanone which can give fermented milk cream and cheese flavor, and significantly enrich amino acid metabolism and carbon metabolism. The fermentation of L. rhamnosus WH. FH-19 increased the contents of L-glutamic acid, taurine, stachyose, erythritol, L-rhamnose, retinol, pantothenic acid and 19 oligopeptides in fermented milk, and endowed fermented milk with good flavor, quality and antioxidant capacity. The results presented that L. rhamnosus WH. FH-19 can increase the content of flavor substances, promote the metabolism of amino acids and carbohydrates in fermented milk, and produce more antioxidant metabolites, which had the potential as a starter of fermented milk.
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Food Analytical Methods
·
2016
·Vol. 10
·期 3
·713-726
·
IF 2.167
Feng Yunzi,Su Guowan,Sun-Waterhouse Dongxiao,Cai Yu,Zhao Haifeng,Cui Chun,Zhao Mouming
The aim of this study was to develop an effective analytical procedure to analyse the aroma-active compounds of soy sauce using headspace solid-phase micro-extraction (HS-SPME) coupled to gas chromatography-mass spectrometry/olfactometry (GC-MS/O). Optimization of SPME focusing on type of fibre, exposure time, extraction temperature and ionic strength was supported by gas chromatography-mass spectrometry (GC-MS). The optimized HS-SPME conditions were as follows: carboxen/polydimethylsiloxane (CAR/PDMS) fibre, NaCl concentration of 270 g/L, extraction temperature of 45 °C and 30-min exposure time. Under these conditions, 25 aroma-active compounds were detected in soy sauce by HS-SPME-GC-O. 2-Methylbutanal (malty), 3-(methylthio)propanal (cooked potato-like), dimethyl trisufide (sulfury, cooked onion), 2-methoxyphenol (smoky) and 2-phenylethanol (flowery) were the most intense. The overall odour impression of the CAR/PDMS-fibre-derived SPME extract detected via human sniffing resembled that of original soy sauce. The intensity of aromas detected by D-GC-O correlated well with the total peak area of GC-MS analysis. Thus, SPME coupled with D-GC-O offers an automated facile method to allow in situ optimization of SPME performance and ultimately effective analysis of aromas.
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2022
·
IF 5.895
Yaran Liu,Xu Qian,Jiangtao Xing,Na Li,Junlong Li,Qingyu Su,Yixin Chen,Bolin Zhang,Baoqing Zhu
This paper clarifies the contribution of lactones and volatile phenols to the aroma of nongrape wine. A target method for the simultaneous determination of these two kinds of volatiles in nongrape wines was developed using headspace-solid-phase microextraction (HS-SPME) combined with high-resolution gas chromatography-Orbitrap mass spectrometry (GC-Orbitrap-MS). A high-resolution mass spectrometry database including 12 lactones and 11 volatile phenols was established for qualitative accuracy. Different matrix-matched calibration standards should be prepared for specific samples due to the matrix effects. The method was successfully validated and applied in three nongrape wines. Hawthorn wine contained more lactones (δ/γ-hexalactone, δ/γ-nonalactone, δ/γ-decalactone, γ-undecalactone, δ/γ-dodecalactone, C10 massoia lactone, and whiskey lactone), while blueberry wine contained more volatile phenols (especially 4-vinylguaiacol and 4-ethylguiaiacol). Goji berry wines contained certain concentrations of δ-nonalactone, γ-nonalactone, δ-hexalactone, and 3-ethyl phenol. This study demonstrated that HS-SPME-GC-Orbitrap-MS can be applied for the accurate quantification of trace aroma compounds such as lactones and volatile phenols in fruit wines.
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TALANTA
·
2025
·
IF 6.1
Xian Li,Xinxin Wen,Zewei Luo,Xuejun Wang,Yilin Zhang,Jing Wei,Yonghui Tian,Rui Ling,Yixiang Duan
Breast cancer (BC) is the primary cause of cancer-related deaths in women. Currently, the discovery of biomarkers primarily relies on single platform, which might overlook other potential biomarkers and lead to inaccurate diagnoses. This study aims to: (1) expand the detection range of biomarkers through multiple analytical techniques, thereby improving the accuracy of BC diagnosis, and (2) analyze the metabolic pathways of the biomarkers to explore the metabolic mechanisms underlying BC. Urine samples from BC patients and healthy controls were analyzed using two techniques: Ultra-high performance liquid chromatography combined with Quadrupole-Exactive-Orbitrap mass spectrometry (UPLC-Q-Exactive Orbitrap-MS), and headspace solid-phase microextraction combined with gas chromatography-high resolution mass spectrometry (HS-SPME/GC-HRMS). Data from each platform was analyzed independently using both univariate and multivariate statistical approaches to identify candidate biomarkers. Subsequently, a mid-level data fusion approach was applied to integrate the candidate biomarkers identified by each platform. The fused data were used to construct orthogonal partial least squares discriminant analysis (OPLS-DA) models and random forest (RF) models, which were then compared against models based on individual platform. The fused RF and OPLS-DA models demonstrated enhanced diagnostic accuracy compared to the individual model. Integrating GC-HRMS and UPLC-Q-Exactive Orbitrap-MS achieved the best performance, with an AUC value of 0.967, sensitivity of 86.37 %, and specificity of 89.19 %. Metabolic pathway analysis revealed that 10 metabolic pathways exert an impact on BC. Four pathways—pyruvate metabolism, sulfur metabolism, taurine and hypotaurine metabolism, and tyrosine metabolism—were found to be associated with BC in both metabolomics and volatolomics studies, indicating that these pathways play pivotal roles in BC. This study confirmed the potential of merging multi-platforms to enhance the accuracy of BC diagnosis, offering new avenues for understanding the metabolic mechanisms of BC.
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CHROMATOGRAPHIA
·
2022
·Vol. 85
·期 9
·809-816
·
IF 2.213
Liu Yue,Lin Yuzi,Li Ping,Yang Huiwen,Huang Qingsong,Pan Yufang
Increasing numbers of studies suggest that short-chain fatty acids (SCFAs) are closely related to diabetes. However, the complexity of fecal pretreatment makes the detection of SCFAs in feces relatively difficult. In this study, we established a sample pretreatment protocol that involved no tedious steps, requiring only the grinding of appropriate amounts of feces into powder in liquid nitrogen. The SCFA content in feces was then detected using the headspace-gas chromatography (HS-GC) method. The method achieved good linearity ( R 2 ≥ 0.9940), and the limits of quantification (LOQs) and detection (LODs) of all investigated SCFAs ranged from 0.15 to 0.45 mM and 0.05 to 0.15 mM, respectively. The recoveries of the SCFAs ranged from 91.55 to 103.96% in mouse fecal samples. The HS-GC method was then applied to evaluate the effects of a neutral polysaccharide from Acanthopanax trifoliatus (ATP1-1) on the fecal SCFA content in streptozotocin (STZ)-induced diabetic mice. After 6 weeks of treatment with 140 mg/kg/d ATP1-1, the expression levels of acetic acid, propionic acid, butyric acid, isobutyric acid, isovaleric acid and valeric acid were increased by 215.4, 88.8, 95.3, 300.8, 260.7 and 158.0%, respectively, which indicated that the hypoglycemic effect of ATP1-1 may be related to its impact on SCFAs. Our simplified pretreatment of fecal samples is suitable for the analysis and detection of SCFAs in mouse feces by HS-GC.
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危险品化学品经营许可证（带存储）