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Food Chemistry-X · 2026 · IF 9.2

Metabolomic fingerprint of volatile and non-volatile compounds of Ganoderma vinegar, Astragalus vinegar, and Winter jujube vinegar based on integrated HS-SPME/GC-MS and UPLC-MS/MS technologies

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.

✓ 已验证 DOI PubMed 高影响因子
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Food Bioscience · 2025 · IF 5.9

Dynamic changes in metabolic compounds and their effects on flavor quality of Fuliang black tea and green tea during processing

Fang Dong,Hongkun Lai,Qifang Sun,Wenjie Yu,Gaowei Zhang,Shijuan Du,Shuai Zhuang,Tao Liu,Yan Li,Xiaoqing Fan,Feng Xie,Liping Luo

Processing stages influence the flavor quality of tea by altering the metabolic compounds in fresh leaves. To investigate the effects of different processing stages on the quality compounds of Fuliang black tea (FLBT) and Fuliang green tea (FLGT), the same batch of fresh leaves was used in this study, and the dynamic changes and accumulation differences of volatile and non-volatile compounds throughout the whole processing were systematically explored by HS-SPME-GC/MS and UPLC-Q-TOF/MS. The results showed that withering and fixation processes played a major role in the changes of metabolic compounds of FLBT and FLGT, respectively. A total of 123 volatile compounds and 165 non-volatile compounds were identified in FLBT, and 114 volatile compounds and 142 non-volatile compounds were identified in FLGT. A total of 8 volatile compounds (e.g., linalool, dimethyl sulfide, β-ionone) with Relative Odor Activity Value (ROAV) > 1 were identified as key aroma-active compounds contributing to the floral and sweet aromas of FLBT. Meanwhile, 6 volatile compounds (e.g., dimethyl sulfide, β-ionone, β-ocimene) were considered crucial aroma-active substances responsible for the floral and delicate fragrance of FLGT. Additionally, the changes of some non-volatile compounds (e.g., amino acids) during processing enhanced the sweet or fresh taste quality of both teas. In particular, the generation of 3-methylbutanal in FLBT may be associated with the decrease in leucine content, implying a potential role of leucine degradation in rolling stage. These findings help improve the tea processing techniques to enhance the flavor quality of Fuliang tea.

研究领域: 食品科学 · 分析化学 · 植物生物化学 · 风味化学 · 农产品加工技术
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MOLECULES · 2014 ·Vol. 19 ·期 4 ·4857-4879 · IF 2.095

Identification of Absorbed Constituents in the Rabbit Plasma and Cerebrospinal Fluid after Intranasal Administration of Asari Radix et Rhizoma by HS-SPME-GC-MS and HPLC-APCI-IT-TOF-MSn

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

CAS / MDL: 6443-69-2
研究领域: 中药学 · 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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ANALYTICAL LETTERS · 2023 · IF 2

Isolation of Volatiles in Honeysuckle by Multiple Approaches with Determination by Gas Chromatography–Mass Spectrometry (GC–MS) and Headspace Solid-Phase Microextraction-Gas Chromatography–Mass Spectrometry (HS-SPME/GC–MS)

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.

CAS / MDL: 141-78-6
研究领域: 植物化学 · 分析化学
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Food Bioscience · 2025 · IF 5.9

Changes of Unique Flavor Substances and Metabolic Pathway Brought by Lacticaseibacillus rhamnosus WH. FH-19 Fermented Milk during Fermentation and Storage Stage: HS-SPME-GC-MS and HPLC-MS-based Analysis

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.

CAS / MDL: 367-11-3
研究领域: 食品科学 · 微生物学
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Frontiers in Nutrition · 2026 · IF 5.5

Unraveling the volatile profile and bioactivity of Zhoupigan (Citrus reticulata cv. Manau Gan) essential oil via HS-GC-IMS and HS-SPME-GC-MS: a comprehensive evaluation of different extraction techniques

Huanhuan Xu,Jialiang Zou,Xuelian Gan,Fu Wang,Lin Chen,Hongping Chen,Yuan Hu,Youping Liu

Introduction Zhoupigan ( Citrus reticulata cv. Manau Gan), also known as Zangju or Shitougan, is a distinctive Chinese citrus resource valued for both traditional medicinal uses and food flavoring, and is notably rich in essential oils (EOs). However, the chemical composition and bioactivity of Zhoupigan peel essential oil (ZJPEO) remain insufficiently understood, limiting its effective utilization. Methods In this study, ZJPEO was extracted by steam distillation (SD) and supercritical fluid extraction (SFE) and analyzed using FTIR, E-nose, HS-GC-IMS and HS-SPME-GC-MS. And its antioxidant and antimicrobial activities were evaluated in vitro . Results FTIR and E-nose revealed clear compositional differences between steam-distilled essential oil (SDEO) and supercritical fluid-extracted essential oil (SFEO). HS-GC-IMS detected 63 VOCs and, based on VIP > 1, identified five marker compounds. HS-SPME-GC-MS identified 1,250 VOCs, showing terpenoids and esters as major contributors to aroma and bioactivity. KEGG enrichment highlighted sesquiterpene and triterpene biosynthesis as key pathways. Flavor wheel analysis indicated that SFEO had stronger sweet, green, and woody notes and exhibited potent antioxidant and antimicrobial activities associated with specific VOCs. Discussion Overall, this work supports optimizing ZJPEO extraction and promoting its value-added, sustainable utilization.

CAS / MDL: 50-81-7
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Food Chemistry-X · 2025 · IF 8.2

Investigation of how protein structure affects the adsorption of furan flavor compounds based on flash-evaporation treatment-induced soy protein isolate

Zhongjiang Wang,Jiankun Shi,Genna Ba,Caihua Liu,Yuan Meng,Yapeng Liu,Zengwang Guo,Haotian Liu,Hongbo Sun

This study investigates the binding capacity and mechanism of flash-evaporation-treated SPI with 2-acetylfuran at 75–130 °C. SPME-GC/MS, spectroscopic methodologies, FRET, and ITC are used to estimate binding ability. The highest binding percentage (89.17 %) is observed at 100 °C. The conformational changes of flash-evaporation-treated SPI reveal that 100SPI exhibits the highest flexibility and solubility, as well as lower surface tension. Correlation analysis demonstrates that the structural changes of 100SPI enhance the effective binding between SPI and 2-acetylfuran, thereby improving the adsorption capacity of SPI. This work offers a theoretical foundation for flavor selection in SPI-based food production by shedding light on the mechanism through which conformational changes in flash-evaporation-treated SPI impact its capacity for flavor adsorption.

CAS / MDL: 1192-62-7
研究领域: 食品科学 · 蛋白质化学 · 风味化学 · 分析化学 · 生物物理学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD RESEARCH INTERNATIONAL · 2024 · IF 7

Comparison and identification of aroma components in 21 kinds of frankincense with variety and region based on the odor intensity characteristic spectrum constructed by HS–SPME–GC–MS combined with E-nose

Xinming Chen,Dandan Yang,Lin Huang,Mengqi Li,Jihai Gao,Can Liu,Xiaoming Bao,Zhizhi Huang,Jinhui Yang,Haozhou Huang,Dingkun Zhang,Runchun Xu

Frankincense is an important seasoning and spice known for its distinctive and intricate flavor profile. Considering the considerable variation in the aromatic quality of frankincense due to geographical origin, species diversity and cultivation conditions, frankincense from major global origins was characterized holistically for the first time. The electronic nose (E-nose) with headspace solid-phase microextraction gas chromatography–mass spectrometry (HS–SPME–GC–MS) and sensory evaluation were implemented to characterize the aroma components of 21 commercial varieties of frankincense from around the world. The results showed that a total of 149 volatile organic compounds (VOCs) of 10 categories were identified in frankincense, among which the numbers of alcohols, terpenes and esters compounds accounted for 22.15 %, 18.79 % and 15.44 % of the total VOCs of frankincense, respectively. The PLS-DA model effectively distinguished frankincense from Oman/Somalia and other origins. Furthermore, the study identified two differential VOCs with VIP > 1 in three Asian countries and five in six African countries. The total VOCs content and sensory characteristic score of “Lemon/Citrus” in Oman frankincense is significantly higher than other regions. The OAV results showed that 61 substances (e.g., Diacety, alpha-Pinene, Camphene, Myrcene) as key aroma compounds and OICS model indicated that p-Cymenol was found to contribute significantly to the citrus aroma in frankincense. This study identified the fundamental components of frankincense flavor and revealed different flavor descriptors of frankincense, which are crucial for reconstructing frankincense flavor and improving flavor quality.

研究领域: 植物化学 · 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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FOOD CHEMISTRY · 2026 · IF 10.4

Insights into the effect of solid-state fermentation on the flavor profile of Fuzhuan brick sea buckthorn leaf tea: A combined analysis by using electronic nose, HS-SPME-GC-MS, and GC-IMS

Qiankun Guo,Tianjin Sun,Yulu Wang,Zhiyong Xie,Xia Fan,Haoyu Zhang,Zhipeng Wang,Xiaoxiong Zeng

Sea buckthorn leaf tea is an herbal beverage made from the leaves of sea buckthorn plant ( Hippophae rhamnoides L.). However, the sea buckthorn leaf green tea suffers from drawbacks such as a pronounced grassy odor. In the present study, therefore, the processing techniques for Fuzhuan brick tea were applied to produce Fuzhuan brick sea buckthorn leaf tea, aiming at improving the flavor profile of sea buckthorn leaf tea. In Fuzhuan brick sea buckthorn leaf tea, 105 and 58 volatile compounds, primarily composed of alcohols, aldehydes, esters, and ketones, were identified by HS-SPME-GC-MS and GC-IMS, respectively. With the help of aroma activity value and a random forest classification model, α-terpineol, linalool, nerol, trans-2-nonenal, and methyl salicylate were identified as the key flavor compounds for Fuzhuan brick sea buckthorn leaf tea. These compounds were the primary contributors to the floral, fungal, woody, and minty aromas of Fuzhuan brick sea buckthorn leaf tea.

CAS / MDL: 108-11-2 110-38-3
✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD CHEMISTRY · 2024 · IF 8.5

Effects of solid-state fermentation with Aspergillus cristatus (MK346334) on the dynamics changes in the chemical and flavor profile of dark tea by HS-SPME-GC–MS, HS-GC-IMS and electronic nose

Di Zhang,Yujie Huang,Xia Fan,Xiaoxiong Zeng

Aspergillus cristatus , the predominant microbe of Fuzhuan brick tea (FBT) , is responsible for the creation of distinctive golden flower and unique floral aroma of FBT. The present study examined the alterations in chemical and aromatic components of raw dark tea by solid-state fermentation using A. cristatus (MK346334), the strain isolated from FBT. As results, catechins, total ployphenols, total flavonoids, theaflavins, thearubigins and antioxidant activity were significantly reduced after fermentation. Moreover, 112 and 76 volatile substances were identified by HS-SPME-GC–MS and HS-GC-IMS, respectively, primarily composed of alcohols, ketones, esters and aldehydes. Furthermore, the calculation of odor activity values revealed that 19 volatile chemicals, including hexanal, heptanal, linalool and methyl salicylate, were the main contributors to the floral, fungal, woody and minty aroma of dark tea. The present research highlights the pivotal role played by the fermentation with A. cristatus in the chemical composition, antioxidant property and distinctive flavor of dark tea.

研究领域: 食品科学 · 微生物学 · 分析化学 · 茶叶科学
✓ 已验证 DOI PubMed 高影响因子
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ACS Food Science & Technology · 2025 · IF 2.8

Insights into the Variation of VOCs in the Maillard Reaction Products Derived from Chinese Black Truffle (Tuber indicum) Enzymatic Hydrolyzates Using E-Nose, HS-SPME-GC-MS, HS-GC-IMS Coupled with Chemometric Approaches

Lin Yuan,Yiye Luo,Shuo Zhang,Suxuan Li,Zhichao Zhang,Xiaoyu Chen,Yingjie Xu,Lusi Ouyang,Zhiyong Wu

To enhance the aroma complexity and commercial potential of Chinese black truffle (Tuber indicum), enzymatic hydrolyzates (EH) were subjected to Maillard reaction (MR) with xylose/cysteine under varying temperatures (90–130 °C). Volatile organic compounds (VOCs) in MR products (MRPs) were characterized using an E-nose, HS-SPME-GC-MS, and HS-GC-IMS coupled with chemometrics (PCA, OPLS-DA). MR significantly increased VOC diversity (216 compounds identified vs 82 in EH), with sulfur-containing compounds and heterocyclics emerging exclusively in MRPs. Temperature critically influenced VOC profiles: 130 °C (MRPs130) yielded the highest VOC abundance and key odorants, as confirmed by the odor activity value (OAV) analysis. Sankey diagrams visualized a flavor shift from mushroom/earthy notes in EH to enhanced fruity, green, and roasted nuances in MRPs130. This strategy effectively improves the Chinese truffle aroma, offering theoretical and practical insights for value-added processing.

研究领域: 食品科学 · 香气化学 · 食品加工 · 代谢组学 · 分析化学 · 天然产物化学
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FOOD CHEMISTRY · 2022 · IF 9.231

Potential valorisation of baobab (Adansonia digitata) seeds as a coffee substitute: Insights and comparisons on the effect of roasting on quality, sensory profiles, and characterisation of volatile aroma compounds by HS-SPME/GC–MS

Balarabe B. Ismail,Rui Huang,Donghong Liu,Xingqian Ye,Mingming Guo

The seeds of Africa's majestic baobab are often discarded or poorly utilized. Few studies explored its potential as a coffee substitute, while the key volatile compounds are still unknown. These compounds were hypothesized to be responsible for baobab's sensory acceptance. In this study, the physicochemical, sensory, and key volatile composition of brews from coffee beans and baobab seeds subjected to different roasting conditions were reported. Roasting increases pH while reducing acidity, total soluble solids, lightness ( L *), redness/greenness ( a *), and yellowness/blueness ( b *) in coffee and baobab brews. Phenolic contents increased significantly ( p  < 0.05) with increased roasting intensity in baobab while degrading in coffee. Significant variability of volatile composition existed among coffee and baobab matrices and the roasting conditions. Nevertheless, the presence of several key coffee odorants in baobab from pyrazines, phenols, and furans chemical families, owing to their odour active value ≥ 1, likely contributed to its sensory acceptance.

研究领域: 食品科学 · 农学 · 分析化学 · 感官科学
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