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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PubMed
高影响因子
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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PubMed
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2026
·
IF 12.5
Yanmei Shi,Liqin Chao,Xiaobing Liu,Zhihong Chen,Zhenghui Chang,Sisen Zhang,Shusheng Zhang,Kai Hu
Development of advanced in vivo sampling tools for the synchronous monitoring of drugs and endogenous biomarkers is critical for integrated pharmacokinetic-pharmacodynamic (PK-PD) studies. Herein, a novel solid-phase microextraction (SPME) fiber coating was engineered based on a zwitterionic covalent organic framework (EB-TTB-DABSA COF), strategically functionalized with sulfonate and quaternary ammonium groups. This rationally designed coating provides synergistic electrostatic, π–π, and hydrophobic interactions, enabling the efficient and simultaneous extraction of both cationic alkaloids and neurotransmitters. Coupled with LC-MS/MS, the developed platform achieved highly sensitive (limits of detection down to 3.3 × 10 −3 ng·mL −1 ), minimally invasive, and synchronous monitoring of these analytes in paired blood and brain matrices of living rats. Application in a Parkinson's disease (PSD) model revealed altered pharmacokinetics of Coptis chinensis alkaloids, including significantly increased area under the curve (AUC) values ( p < 0.01) and prolonged elimination half-lives compared to controls. These findings indicate enhanced systemic absorption and improved bioavailability of alkaloids under PSD conditions. Crucially, pharmacodynamic analysis showed that alkaloid administration triggered a synchronized restoration of key depleted neurotransmitters in PSD brains. A correlation with a characteristic hysteresis pattern further established a delayed neuroprotective relationship between alkaloid concentrations and neurotransmitter levels. This study not only introduces a robust zwitterionic COF-SPME platform for concurrent in vivo biosampling but also provides the first quantitative neuropharmacological perspective on Coptis chinensis alkaloids, offering a foundational framework for mechanistic research and therapeutic development in PSD.
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Food Bioscience
·
2025
·
IF 5.9
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
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分析化学
·
植物生物化学
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风味化学
·
农产品加工技术
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高影响因子
NORDIC PULP & PAPER RESEARCH JOURNAL
·
2019
·Vol. 34
·期 3
·326-333
·
IF 0.929
Qi Wei,Hao Cheng,Shubin Wu,Chunxia Chen
A convenient and quick method has been developed for simultaneous detection of several low molecular weight chlorinated organic compounds (LMWC) in polyamideamine-epichlorohydrin (PAE) solution, using headspace-solid phase microextraction-gas chromatography (HS-SPME-GC). The method consists of extracting a sample containing 0.42 g/mL NaCl with an 85 µm polyacrylate (PA) coated fiber at an extraction temperature of 45 ∘ C , for an extraction time of 30 mins, and desorbing the analytes at 240 ∘ C for 6 mins. Under these optimized conditions, relatively low limits of detection (LOD) of the analytes, good linearity ( r 2 ≥ 0.9934 ) and precision (relative standard deviation ( RSD ≤ 4.38 % )) were obtained. Taking into account the matrix effect, standard addition methodology was applied to validate this method and recovery values were between 91.59 % and 109.69 %. This method is therefore well-suited for accurate determination of low levels of LMWC in PAE.
研究领域:
分析化学
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环境科学
·
化工工程
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高影响因子
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.
研究领域:
食品科学
·
分析化学
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高影响因子
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
研究领域:
中药学
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分析化学
·
药理学
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PubMed
高影响因子
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.
研究领域:
植物化学
·
分析化学
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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.
研究领域:
食品科学
·
分析化学
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高影响因子
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.
研究领域:
食品科学
·
微生物学
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高影响因子
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.
研究领域:
医学
·
代谢组学
·
生物信息学
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PubMed
高影响因子
Frontiers in Nutrition
·
2026
·
IF 5.5
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.
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高影响因子
危险品化学品经营许可证（带存储）