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Food Chemistry-X · 2025 · IF 8.2

Exploring the effects of milk-enriched walnut soy sauce: Insights from GC-IMS and metagenomics approach to flavor and microbial shifts

Munguntsetseg Battur,Muhammad Aaqil,Jingchuan Zheng,Huang Xiao Lin,Bolormaa Chuluunotgon,Tserenkhand Zorigtbaatar,Cunchao Zhao,Yang Tian

This study investigates the impact of milk addition on the fermentation of walnut soy sauce, using Gas Chromatography-Ion Mobility Spectrometry (GC-IMS) and metagenomics to analyze flavor profiles and microbial dynamics. GC-IMS analysis showed significant increases in volatile compounds such as esters (ethyl acetate), aldehydes (hexanal), and alcohols (isoamyl alcohol), enhancing the aroma and taste. Metagenomic analysis revealed that milk increased microbial diversity, with Weissella and Lactobacillus dominating early fermentation. The milk-enriched soy sauce (SYM) exhibited higher amino acid nitrogen (2.67 g/L), and total nitrogen (7.18 g/L) compared to the control, indicating improved nutritional quality. Protease activity peaked at 2438.5 U/g for neutral protease, supporting efficient protein hydrolysis. Relative Odor Activity Value (ROAV) analysis identified 29 key flavor compounds, including 3-methyl butanol and ethyl 2-methyl butyrate, which contributed fruity and buttery notes to SYM. These results suggest that milk enhances microbial growth and improves both flavor and nutritional quality of walnut soy sauce.

CAS / MDL: 821-55-6 78-93-3
研究领域: 食品科学 · 微生物学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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CyTA-Journal of Food · 2022 · IF 2.478

Profiling of volatile and non-volatile compounds in Dianhong by a combined approach of static headspace GC-MS and UPLC-MS

Yanzhi Sun,Yingjie Fu,Rirong Chen,Yipeng Zhang,Tougen Liao,Hui Xi,Shihao Sun,Zhihong Cheng

The systematic identification of volatile organic compounds (VOCs) and non-VOCs will facilitate understanding the characteristic aroma and bioactive constituents of Dianhong. This article reported for the first time the volatile and non-volatile composition profiles of Dianhong from four main producing areas. A combined total of 42 VOCs were identified from four Dianhong samples by static headspace GC-MS. Thirteen VOCs were found to be important common components contributing to the characteristic aroma of Dianhong. The non-VOCs of Dianhong were evaluated by UPLC-ESI-MS, and Dianhong samples from four producing areas shared almost the same component profiles. Thirty-four components including derivatives of quinic acid, gallic acid, and catechin, flavone C-glycosides, flavonol O-glycosides, and alkaloids were characterized. Finally, catechin, gallic acid, 5-O-galloylquininc acid, and theobromine were characterized as the main non-VOCs in Dianhong. Dianhong samples from four main producing areas showed similar VOCs and non-VOCs profiles under our optimized GC-MS and LC-MS conditions.

研究领域: 食品科学 · 分析化学 · 植物学
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LWT-FOOD SCIENCE AND TECHNOLOGY · 2023 · IF 6

Variations of volatile flavors and microbial communities in Chinese Chaozhou pickle during natural fermentation revealed by GC-IMS and high-throughput sequencing

Qi Chen,Ying Li,Kangling Yan,Guanghui Li,Donghui Luo,Weidong Bai,Xiaofang Zeng,Qingping Wu,Jinhua Deng,Hao Dong

Chaozhou pickle, a traditional Chinese fermented vegetable product, is highly regarded among consumers due to its unique flavor. This work monitored the flavor substances and microbial communities of Chaozhou pickles during fermentation by gas chromatography-ion mobility spectrometry (GC-IMS) and high-throughput sequencing. A total of 70 volatile compounds were identified from Chaozhou pickles. In addition to fruit aroma esters, the pickles also contain aldehydes, ketones, alcohols, acids, and heterocyclic compounds. The four pickles exhibited a prevalence of Cyanobacteria, Proteobacteria, and Firmicutes as the leading bacterial phyla , while Weissella, Leuconostoc, and Lactobacillus were identified as the predominant bacterial genera. Physiochemical quality and acid properties of Chaozhou pickle were also investigated. Results revealed a significant reduction in hardness, chewiness and pH during fermentation, as well as a notable increase in free amino acids, and organic acid levels. These results could contribute to a greater comprehension of the role of microorganisms in flavor formation during fermentation and provide a scientific foundation for the industrialization of Chaozhou pickle.

研究领域: 食品科学 · 微生物学
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FOOD RESEARCH INTERNATIONAL · 2024 · IF 7

Untargeted metabolomics analysis using UPLC-QTOF/MS and GC–MS to unravel changes in antioxidant activity and compounds of almonds before and after roasting

Xiao Shan,Lin Li,Yu Liu,Ziwei Wang,Binbin Wei,Zhongbo Zhang

Almonds are a commonly consumed nut. They possess significantof nutritional and health benefitsand are commonly processed by roasting. This study aimed to investigatthe effects of roasting on the compound composition and antioxidant activity of almonds. Metabolomics analysis, performed via UPLC-QTOF/MS, and fatty acid analysis, conducted via GC–MS, employed, and the results demonstrated a significant increase in antioxidant activity of post-roasting and in vitro digestion, ranging from 1.16 to 3.44 times. Untargeted metabolomics identified a total of 172 compounds, with notable differences observed in organic oxides, fatty acids, and their derivatives. Correlation analysis identified fatty acids as the primary influencers of changes in antioxidant activity following roasting. Taken together, these findings suggest that roasting enhances the antioxidant activity of almonds, primarily due to alterations in fatty acid analogs, thereby providing valuable insights into optimizing almond consumption for health benefits.

研究领域: 食品科学 · 营养学 · 分析化学 · 代谢组学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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MACROMOLECULAR MATERIALS AND ENGINEERING · 2022 ·Vol. 307 ·期 7 ·2100948 · IF 4.402

Self-Healing, Water-Retaining, Antifreeze, Conductive PVA/PAA-PAM-IS/GC Composite Hydrogels for Strain and Temperature Sensors

Jinbiao Min,Zhaoxi Zhou,Jia Zheng,Caibin Yan,Hongyuan Sha,Maochun Hong,Heqing Fu

In this paper, PVA/PAA-PAM-IS/GC composite hydrogels are prepared using polyvinyl alcohol (PVA), poly acrylic acid (PAA), poly acrylamide (PAM), and iron sulfate hydrate (IS) glycerol (GC). The crosslinking network is formed by the coordination of carboxyl groups with ions, which forms PVA with semi-interpenetrating network. The mechanical properties and self-healing properties of PVA/PAA-PAM-IS/GC composite hydrogels are excellent. The stress, strain and self-healing efficiency of PVA/PAA-PAM-IS/GC composite hydrogels can reach 840 kPa, 784%, and above 95%, respectively. The antifreeze and water retention properties of PVA/PAA-PAM-IS/GC composite hydrogels are improved by glycerol. PVA/PAA-PAM-IS/GC composite hydrogels remains flexible at low temperatures and moist for a long time at room temperature. The conductivity of the hydrogel increases with the increase of temperature because the interactions between glycerol, water molecules and ammonium ions are affected by the temperature, the multifunctional conductive hydrogel can be used in strain sensing and temperature sensing. In summary, PVA/PAA-PAM-IS/GC composite hydrogels can provide a guide in the field of electronic intelligence.

CAS / MDL: 15244-10-7
研究领域: 材料科学 · 生物医学工程
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JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS · 2025 · IF 3.1

Consistency between stir-frying Bombyx Batryticatus formula granules and traditional decoctions based on multi-component qualitative and quantitative analysis combined with GC-IMS and chemometrics

Tan Xue,Qi Wang,Panpan Zhang,Yan Miao,Jianing Sun,Fengyu Dong,Xinjing Gui,Jing Yao,Ruixin Liu

This study investigates the consistency between the formula granule decoction of stir-fried Bombyx Batryticatus(JC-DGD) and its traditional decoction (JC-TD) counterpart, using roasted Bombyx Batryticatus as a representative example.First, used high-performance liquid chromatography (HPLC) to establish the fingerprints of JC-TD and JC-DGD from four manufacturers (A, B, C, and D) and assess their similarity. There was no significant difference between the two ( P  > 0.05).Quantified five key index components, including uracil.Compared the protein and crude polysaccharide contents using the Coomassie Brilliant Blue and phenol-sulfuric acid methods. The mean total content of index components, proteins, and crude polysaccharides in 10 batches of JC-TD was set as 1. The contents of index components in different categories - JC-DGD-provincial standard(JC-DGD-PS), JC-DGD-enterprise standard(JC-DGD-ES), TD, DGD, and DGCM from manufacturers A, B, C, and D—were 1.23, 0.38, 1.00, 0.72, 1.28, 0.58, 0.45, and 0.27, respectively. The protein contents were 1.51, 0.46, 1.00, 0.88, 1.43, 0.93, 0.35, and 0.66, respectively. The crude polysaccharide contents was 9.01, 0.74, 1.00, 4.05, 10.57, 1.96, 0.38, and 1.77, respectively. We identified 32 differential volatile organic compounds, including fenugreek lactone, using GC-IMS. Then evaluated the anticonvulsant effects of JC-TD and JC-DGD using an acute convulsion mouse model induced by pentylenetetrazole. The results showed that JC-DGD-A > JC-TD ≈ JC-DGD-B ( P  > 0.05)) were superior to those of JC-DGD-C and JC-DGD-D ( P  < 0.01). Finally, calculate the recommended equivalent ratio of Chinese medicine formula granules (DGCM). The manufacturers A, B, C, and D were adjusted from 1:3, 1:10, 1:10, and 1:11–1:4.54 ± 0.51, 1:5.24 ± 2.22 (JC-B3 without adjustment: 1:3.6), 1:5.17 ± 0.49, and 1:3.44 ± 0.59, respectively. The overall, and the consistency between the two was analyzed through correlation analysis, cluster analysis, and multi-index dimensionality reduction discriminant analysis.Comprehensive results indicated that the quality of JC-DGD-A was significantly higher than that of JC-TD, while JC-DGD-B exhibited similar quality to JC-TD. In contrast, the quality of JC-DGD-C and JC-DGD-D was significantly lower than that of JC-TD. To enhance product quality and ensure the scientific rationality of clinical applications, manufacturers must adhere to national and provincial standards for formula granule drugs.

研究领域: 中药学 · 分析化学 · 药理学
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Food Chemistry-X · 2025 · IF 8.2

Characterization of aroma profiles of Tanyang Congou black tea with flowery-fruity flavor: Insights from sensory evaluation and HS-SPME-GC-O-MS

Di Zhou,Xin-yu Liu,Miao-qin Xie,Hao-jie Xu,Huai-hui Yi,Da-xiang Li,Ru-yan Hou,Hui-mei Cai,Xiao-chun Wan,Daniel Granato,Chuan-yi Peng

Tanyang Congou black tea, renowned for its distinctive floral and fruity aroma, is meticulously produced using the shaking technique. However, the specific aroma profile and the key odor-active compounds responsible for this characteristic fragrance have not been fully elucidated. This study integrated sensory evaluation with molecular sensory science approaches to identify and characterize the principal odorants contributing to the tea's aroma. Sensory analysis confirmed that the prepared black tea exhibited typical high-quality attributes, with a prominent floral and fruity aroma markedly reduced in lower-grade samples. A total of 70 volatile compounds were detected, among which 29 key aroma-active compounds were identified across all three quality grades using aroma extract dilution analysis (AEDA) and gas chromatography-olfactometry-mass spectrometry (GC-O-MS). Of these, 16 volatiles exhibited high flavor dilution (FD) factors (≥8), and 11 compounds showed relative odor activity values (ROAV) greater than 1. Notably, seven compounds—( E )- β -ionone, (E)-nerolidol, geraniol, citral, linalool, hexanal, and phenylacetaldehyde—were identified as the primary contributors to the characteristic floral-fruity aroma of Tanyang Congou black tea. These findings provide comprehensive insight into the aroma profile of Tanyang Congou black tea, offering a scientific basis for quality assessment and targeted aroma modulation in tea production.

研究领域: 食品科学 · 茶学 · 分子感官科学
✓ 已验证 DOI PubMed 高影响因子
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Scientific Reports · 2024 ·Vol. 14 ·期 1 ·1-16 · IF 3.8

GC–MS analysis, molecular docking, and pharmacokinetic studies on Dalbergia sissoo barks extracts for compounds with anti-diabetic potential

Vijh Deepanshi,Gupta Promila

Diabetes is a metabolic condition defined by abnormal blood sugar levels. Targeting starch-hydrolyzing enzymes and Dipeptidyl Peptidase 4 (DPP-4) expressed on the surface of numerous cells is one of the key strategies to lower the risk of Type-2 diabetes mellitus (T2DM).  Dalbergia sissoo Roxb. bark (DSB) extracts have been reported to have anti-diabetic properties. This study intended to scientifically validate use of alcoholic and hydro-alcoholic extracts of DSB for T2DM by conducting preliminary phytochemical investigations, characterising potential phytochemicals using Fourier transform infrared (FT-IR) spectroscopy and Gas chromatography-mass spectrometry (GC–MS) analysis followed by comprehensive in-silico analysis. A qualitative phytochemical evaluation indicated the presence of alkaloids, phenolics, glycosides, conjugated acids and flavonoids. Ethanolic extracts showed highest total phenolic content (TPC) (127.072 ± 14.08031 μg GAE/g dry extract) and total flavonoid content (106.911 ± 5.84516 μg QE /g dry extract). Further FT-IR spectroscopy also revealed typical band values associated with phenol, alcohol, alkene, alkane and conjugated acid functional groups. The GC–MS analysis identified 139 compounds, 18 of which had anti-diabetic potential. In-silico ADMET analysis of potential compounds revealed 15 compounds that followed Lipinski’s rule and demonstrated drug-like properties, as well as good oral bioavailability. Molecular docking was utilised to analyse their potential to interact with three targets: α-amylase, α-glucosidase, and DPP-4, which are crucial in managing diabetes-related problems. Molecular Docking analysis and membrane permeability test utilising the PerMM platform revealed that compounds in the extracts, such as Soyasapogenol B and Corydine, had better interactions and permeability across the plasma membrane than standard drugs in use. Molecular dynamics simulations also showed that selected compounds remained stable upon interaction with α-amylase. Overall, using the in-silico approaches it was predicted that DSB extracts contain potential phytochemicals with diverse anti-diabetic properties. It further needs to be investigated for possible development as formulation or drug of choice for treating T2DM.

研究领域: 植物化学 · 药物开发 · 计算生物学
✓ 已验证 DOI PubMed 高影响因子
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FOOD CHEMISTRY · 2025 · IF 9.8

Elucidating the aging mechanism of Fuyu-flavor Baijiu mediated by metal ions via GC–MS, spectroscopy, electrochemistry, and SEM-EDS

Yanjia Liu,Tingting Bai,Daohong Wu,Maojun Yao

Metal ions can promote the aging of Baijiu and improve its sensory quality. However, the aging mechanism mediated by metal ions remains unclear. The content of esters, alcohols, and pH decreased while the acids content, viscosity, and conductivity increased after adding metal ions. 20 kinds of aroma components were identified in Baijiu including esters, acids, alcohols, and aldehydes by Gas chromatography-mass spectrometry (GC–MS). Spectroscopy and electrochemical analysis demonstrated that Fe 3+ has a higher affinity than Cu 2+ for the flavor compounds, and both Fe 3+ and Cu 2+ exhibit stronger affinity with acids than corresponding esters. Scanning Electron Microscope (SEM) demonstratesd that Baijiu can form lamellar, spherical, flower-like, and crystal-like morphology during aging. The colloidal particles exhibit different elemental composition according to Energy Dispersive Spectrometer (EDS). These results indicated Baijiu aging is regulated by transition metal ions, thereby providing a theoretical foundation for Baijiu aging by selecting appropriate aging medium and storage conditions.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD RESEARCH INTERNATIONAL · 2024 · IF 7

Characterization of the aroma-active compounds in Xiaokeng green tea by three pretreatment methods combined with gas chromatography−olfactometry (GC-O)

Shiya Gan,Yingqi Chen,Lei Zhao,Xiaoyi Zhao,Tong Qiu,Xiaoting Zhai,Qianying Dai

Chinese Xiaokeng green tea (XKGT) possesses elegant and fascinating aroma characteristics, but its key odorants are still unknown. In this study, 124 volatile compounds in the XKGT infusion were identified by headspace-solid phase microextraction (HS-SPME), stir bar sorptive extraction (SBSE), and solvent extraction-solid phase extraction (SE-SPE) combined with gas chromatography-mass spectrometry (GC–MS). Comparing these three pretreatments, we found HS-SPME was more efficient for headspace compounds while SE-SPE was more efficient for volatiles with higher boiling points. Furthermore, SBSE showed more sensitive to capture ketones then was effective to the application of pretreatment of aroma analysis in green tea. The aroma intensities (AIs) were further identified by gas chromatography–olfactometry (GC-O). According to the AI and relative odor activity value (rOAV), 27 compounds were identified as aroma-active compounds. Quantitative descriptive analysis (QDA) showed that the characteristic aroma attributes of XKGT were chestnut-like, corn-like, fresh, and so on. The results of network analysis showed that ( E , Z )-2,6-nonadienal, nonanal, octanal and nerolidol were responsible for the fresh aroma. Similarly, dimethyl sulfide, ( E , E )-2,4-heptadienal, ( E )-2-octenal and β -cyclocitral contributed to the corn-like aroma. Furthermore, indole was responsible for the chestnut-like and soybean-like aroma. This study contributes to a better understanding of the molecular mechanism of the aroma characteristics of XKGT.

研究领域: 食品科学 · 植物化学
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Analytical Methods · 2022 ·Vol. 14 ·期 12 ·1187-1193 · IF 3.532

Ultrasound-assisted switchable hydrophilic solvent-based homogeneous liquid–liquid microextraction for the determination of triazole fungicides in environmental water by GC-MS

Huihao Lv,Xiangzi Jin,Zhihui Zhang,Yao Chen,Guohua Zhu,Zuguang Li,Mawrong Lee

A new method was developed for the determination of three triazole fungicides in environmental water samples by gas chromatography-mass spectrometry (GC-MS) based on ultrasonic assisted switchable hydrophilic solvent homogeneous liquid–liquid microextraction. As a switchable hydrophilic solvent, N,N-dimethylcyclohexylamine (DMCHA) does not require a dispersant or centrifugation. Ultrasound assistance is helpful to speed up the extraction of target compounds and can reduce the pretreatment time. The entire pretreatment process of this method only takes 5 minutes. Using the Box–Behnken design as the means of optimization, optimal extraction conditions were obtained through a mathematical model. Good linearity was obtained in the range of 5–500 μg L−1, and the correlation coefficient of target compounds was greater than 0.999. The matrix spiked recoveries were between 81.3% and 111.1% and the detection limit was between 0.46 and 0.99 μg L−1. Intraday relative standard deviation (n = 3) was 13.0–13.9% at 100 μg L−1. Finally, it was concluded that the method is a rapid, efficient and simple method for the analysis of triazole fungicides in water.

研究领域: 分析化学 · 环境科学
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NEW JOURNAL OF CHEMISTRY · 2020 ·Vol. 44 ·期 19 ·7727-7739 · IF 3.288

Magnetic solid phase extraction using Fe3O4@β-cyclodextrin–lipid bilayers as adsorbents followed by GC-QTOF-MS for the analysis of nine pesticides

Hui Wang,Shaowei Yan,Bo Qu,He Liu,Jie Ding,Nanqi Ren

A rapid and efficient magnetic solid phase extraction (MSPE) method, based on Fe3O4@β-cyclodextrin–lipid bilayer nanocomposites (Fe3O4@β-CD–LB), was built. The MSPE method coupled with GC-QTOF-MS has been designed for the trace detection of nine organochlorine pesticides (OCPs) in soil samples. The Fe3O4@β-CD–LB was successfully synthesized and characterized by vibrating sample magnetometry, Fourier transform infrared spectrometry, transmission electron microscopy, field emission scanning electron microscopy and energy-dispersive X-ray spectroscopy. In this experiment, the OCPs in the soil samples were firstly extracted with n-hexane/dichloromethane (v/v 1 : 1) at high pressure and temperature, and then subjected to MSPE for adsorption and purification. Considering the synergy effect between host–guest inclusion complexation and hydrophobic interaction in the adsorption mechanism, the bi-functionalized magnetic nanocomposites exhibited excellent adsorption properties for the OCPs and natural resistance to interference by macromolecules. Under the optimum experimental conditions, the method showed wide linear ranges with low limits of detection (4.5 to 34 pg g−1). The results showed that the mean recoveries of the OCPs in the soil samples were 78–107% with 3.0–6.1% intra-day relative standard deviation (RSD) and 3.5–6.9% inter-day RSD. The method has been applied for the determination of the OCPs in actual samples, and ΣOCPs ranged between 0 and 2.3 ng g−1 in seven soil samples.

研究领域: 分析化学 · 环境科学
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