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FOOD CHEMISTRY · 2026 · IF 10.4

Integration of HS-SPME-GC–MS and targeted metabolomics to elucidate the regional flavor characteristics and metabolic pathways of ‘Shushanggan’ apricots from core production areas in Xinjiang

Xueling Zeng,Lei Zhao,Zhigang Zhang,Shikui Zhang,Patiman Rouzi,Shaopeng Wang,Ximo Bai,Shangdong Wang,Wenjuan Geng,Weiquan Zhou

Terpenoid biosynthesis was identified as a key pathway regulating apricot aroma. • Growing regions significantly shaped flavor profiles, each region has its unique, significant content of superior metabolites. • A total of 1438 volatile metabolites of 15 types, terpenoids were main components of volatile metabolites. • rOAV identified 27 key volatiles, 2-ethyl-4-hydroxy-3-methyl-2H-furan-5-one is a critical biomarker for regional origin, imparting fruity, sweet, and green odors. • Primary metabolic shifts (sugars, organic acids, amino acids) directly drive aroma formation. ‘Shushanggan’ apricots are strongly favored by consumers because of their high nutritional profile and unique flavor. However, their flavor characteristics significantly differ among different production areas, and the underlying mechanism remains unclear. Herein, targeted metabolomics was integrated with HS-SPME-GC–MS to analyze apricot metabolites across seven core production areas. Notably, sucrose (highest in Kashi (KS; 413,029.33 μg·g −1 ), organic acids, including malic acid and oleanolic acid, which were highest in Gongliu (GL), and γ-aminobutyric acid (highest in Tekes (TKS; 1365.06 μg·g −1 ) were the major components. Terpenoids were the main contributors to aroma. Twenty-seven characteristic volatiles were identified via the rOAV. Regional habitat significantly influenced metabolite accumulation, with strong correlations between nonvolatile metabolites and key volatiles. This study elucidates regional variations in apricot flavor and the underlying biochemical mechanisms. These findings provide a theoretical basis for the development of high-value products and industrial optimization. Download: Download high-res image (190KB) Download: Download full-size image

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TALANTA · 2019 · IF 4.916

Covalent immobilization of covalent organic framework on stainless steel wire for solid-phase microextraction GC-MS/MS determination of sixteen polycyclic aromatic hydrocarbons in grilled meat samples

Tian-Tian Ma,Xiao-Fang Shen,Cheng Yang,Hai-Long Qian,Yue-Hong Pang,Xiu-Ping Yan

Covalent organic framework TpBD was grafted on stainless steel wire with polydopamine as a linker. The fabricated TpBD bonded stainless steel wire was used as the solid-phase microextraction fiber to extract sixteen polycyclic aromatic hydrocarbons (PAHs) for subsequent GC-MS/MS determination in grilled meat samples. The developed method gave the limits of detection ( S/N  = 3) from 0.02 (pyrene)-1.66 (naphthalene) ng L −1 and enhancement factors from 1069 (naphthalene)-10879 (benz(a)anthracene). The relative standard deviations (RSDs) for intra-day and inter-day study are in the range of 2.6%–8.5% and 4.5%–9.4%, respectively. The fiber-to-fiber RSDs for three parallel prepared fibers were 5.3%–10.0%. One TpBD bonded fiber can stand at least 200 cycles without significant loss of extraction efficiency. The developed method was successfully applied for the determination of trace PAHs in grilled meat samples with recoveries from 85.1% to 102.8%.

研究领域: 分析化学 · 食品科学
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Foods · 2025 ·Vol. 14 ·期 14 ·2441 · IF 5.1

Formation Mechanism of Lipid and Flavor of Lard Under the Intervention of Heating Temperature via UPLC-TOF-MS/MS with OPLS-DA and HS-GC-IMS Analysis

Erlin Zhai,Jing Zhang,Jiancai Zhu,Rujuan Zhou,Yunwei Niu,Zuobing Xiao

Lard imparts unique organoleptic properties that underpin its essential role in Chinese gastronomy; however, the specific lipid precursors contributing to its aroma remain unclear. This study explores the flavor formation mechanism of lard by comparing its texture and aroma at two preparation temperatures, 130 °C and 100 °C. We identified a total of 256 and 253 lipids at these temperatures, respectively, with triacylglycerols (TGs) and diacylglycerols (DGs) being the predominant lipid species. An HS-GC-IMS analysis detected 67 volatile compounds, predominantly aldehydes, acids, and alcohols. A subsequent Orthogonal Partial Least Squares-Discriminant Analysis (OPLS-DA) identified 49 discriminatory lipids and 20 differential volatiles. A correlation analysis showed a positive relationship between aldehydes and unsaturated triglycerides in lard, with TG (16:1-16:1-18:0), TG (17:2-18:1-18:1), TG (16:1-17:1-18:1), and TG (18:1-18:1-20:1) identified as characteristic markers at both temperatures. Furthermore, there was a positive correlation between ketones and alcohols and phospholipids and sphingolipids containing unsaturated fatty acid chains. TGs and glycerophospholipids (GPs), rich in polyunsaturated fatty acids, are likely key precursors driving the formation of distinct flavors during lard processing. This study elucidates the mechanistic interactions between lipids and volatile organic compounds, providing a framework for optimizing lard processing protocols and flavor modulation.

研究领域: 食品化学 · 脂质科学 · 风味化学 · 分析化学 · 食品加工
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Food Bioscience · 2025 · IF 5.9

ATR-FTIR, DSC, GC–MS of garlic (Allium sativum), parsley (Petroselinum crispum), and thyme (Thymus vulgaris) essential oils and their synergistic effects on antioxidant and antimicrobial properties

Walaa Kobacy,Xiaomin Gong,Naglaa K.F. Elshamandy,Hamdy A. Zahran,Ahmed I. Osman,Ahmed K. Rashwan

The study explored the chemical, antimicrobial, and antioxidant properties of essential oils from garlic (GEO), parsley (PEO), and thyme (TEO) using GC-MS, ATR-FTIR, and DSC techniques, and examined the synergistic effects of their combination on antioxidant and antimicrobial properties. The oils' antimicrobial effectiveness against pathogens was also tested. GC-MS analysis revealed diverse chemical profiles. The garlic, thyme, and parsley mixture (GTP) showed the highest phenol content (533.05 milligrams of gallic acid equivalent per 100 grams of dry weight sample), flavonoids (284.16 milligrams of quercetin equivalent per 100 grams of dry weight sample), and antioxidant activity (94.14% DPPH scavenging). The oils demonstrated significant antimicrobial effects, particularly against gram-negative bacteria and molds, with the GTP mixture being highly effective against Aspergillus niger . The bioactive compounds and antimicrobial effects were ranked as GTP > GT > GP > TP > GEO > TEO > PEO. These findings suggest that combining these EOs enhances their bioactivity, positioning them as natural preservatives for food safety and shelf-life extension.

CAS / MDL: 67-56-1
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LWT-FOOD SCIENCE AND TECHNOLOGY · 2022 · IF 6.056

Untargeted metabolomics analysis based on HS-SPME-GC-MS and UPLC-Q-TOF/MS reveals the contribution of stem to the flavor of Cyclocarya paliurus herbal extract

Lu Liang,Yuchen Liu,Yuxin Liu,Siyi Gan,Xuejin Mao,Yuanxing Wang

The herbal tea made from the leaves and stems of Cyclocarya paliurus is thought to be more flavorful than those made from the leaves only. However, evidence supporting this view is not available yet. 53 VOCs and 54 non-VOCs were identified via HS-SPME-GC-MS and UPLC-Q-TOF/MS, respectively, which were found to vary dramatically in three groups of samples (combination of stems and leaves, separated leaves, and separated stems). 11 VOCs and 18 non-VOCs potential markers are responsible for the change of metabolic effects through the biosynthesis of flavonoids, the synthesis of terpenoids, and the oxidation of fatty acids and carotenoids. In response, the stems were effective to enhance fatty odors, the initial astringency and bitterness and the aftertaste of sweetness of the leaves. Stems are conducive to increasing total phenolic content, total flavonoid content and antioxidant capacity of Cyclocarya paliurus herbal extract because of the increase in polyphenols. In addition, the stems have the potential to be used as raw materials for nerolidol and polyphenols extraction. This study has been the first to determine the contribution of stem to the flavor of Cyclocarya paliurus herbal tea and these results provide the theoretical basis for making Cyclocarya paliurus herbal tea with stems.

研究领域: 植物化学 · 食品科学 · 代谢组学
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Food Chemistry-X · 2026 · IF 9.2

Effects of drying methods on the chemical composition and antioxidant activity of Metapanax delavayi by integrating UHPLC-Q-TOF-MS and GC–MS/MS based untargeted metabolomics

Sinian Chen,Daomin Liu,Peng Zhang,Peifeng Zhu,Wenhong Tan,Lu Liu

Metapanax delavayi is widely consumed as a vegetable and herbal tea in western China; however, the impact of postharvest drying on its chemical composition and bioactivity remains insufficiently characterized. In this study, the effects of three drying methods-shade drying (SD), hot-air drying (HAD), and vacuum freeze-drying (VFD)-on the metabolite profile and antioxidant activity of M. delavayi were systematically investigated using UHPLC-Q-TOF-MS and GC–MS/MS-based untargeted metabolomics, combined with multivariate statistical analysis and KEGG pathway enrichment. A total of 742 non-volatile and 87 volatile differential metabolites were detected across the drying treatments, indicating pronounced processing-induced metabolic alterations. KEGG enrichment analysis revealed that the differential metabolites were mainly associated with flavonoid biosynthesis, amino acid metabolism, galactose metabolism, and glycolysis/gluconeogenesis. Antioxidant assays (DPPH, ABTS, hydroxyl radical scavenging activity, and FRAP) demonstrated significant differences among drying methods, with VFD-treated samples generally exhibiting higher antioxidant capacity. Correlation analysis suggested that phenolic and flavonoid metabolites were major contributors to antioxidant activity. Overall, compared with SD and HAD, VFD showed a greater capacity to preserve phytochemical composition and antioxidant potential. These findings provide a scientific basis for optimizing drying strategies and improving the quality of M. delavayi -derived products.

✓ 已验证 DOI PubMed 高影响因子
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INDUSTRIAL CROPS AND PRODUCTS · 2023 · IF 5.9

Insight into the synergistic reaction mechanism of biomass pseudocomponents and polyamide by TG-MS and Py-GC/MS: Pyrolysis properties, reaction kinetics and N-containing species evolution

Donghua Li,Feng Shi,Meihua Fu,Yi Lu,Can Liu,Xu Lin,Defa Hou,Hao Sun,Cuiping Luo,Zhifeng Zheng,Yunwu Zheng

To unveil the nitrogen migration and conversion characteristics, catalytic copyrolysis of biomass pseudo components and polyamide (PA) with different blend ratios (1:0, 5:1, 3:1, 1:1, 1:3, 1:5, 0:1) under an ammonia atmosphere was proposed to boost the yield of N-containing compounds (NCCs) and N-rich biochar. The evolution and distribution of NCCs in liquid, gas and biochar were systematically investigated with a combination of TG-MS, Py-GC/MS and EPR. Synergistic effects and possible reaction pathways were also evaluated. Experimental results showed that PA could obviously boost biomass conversion due to increasing the chance of secondary cleavage, and the comprehensive synergistic effect of biomass-derived H* radicals, acid sites of the catalyst and cracking reactions (-C-N and C-C bonds) that reduced the reaction energy barrier and enhanced the NH 3 and HCN yields. NH 3 comes from the amino acids that are released from the amino acid pyrolysis and hydrolysis of HCN on the surface of char, while HCN is from the secondary cracking of primary pyrolysis products. Adding biomass increased CO 2 , CO, CH 4 , C-O and C O emissions from co-pyrolysis. Additionally, significant synergetic effects were observed when Biomass/PA= 3:1, which improved the NCCs and pyridine yields by 78.58% and 48.23%, respectively, under the HZSM-5 catalyst. A lower proportion of PA addition facilitated the Maillard reaction and amide bond cleavage to enhance the NCCs content and suppressed π-conjugated ring structure compound evolution and coke-derived O-containing compound polymerization, while a higher content of PA was favorable for amine and diaza heterocycle compound formation. Moreover, the addition of PA reduced the HHV and N content in biochar, resulting in lower pyrrole-N content and graphitization degree due to secondary cross-polymerization reaction of reaction volatiles, but it enhanced the polarity due to higher oxygen content (14.98%).

CAS / MDL: 63428-83-1
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INDUSTRIAL CROPS AND PRODUCTS · 2022 · IF 6.449

Accumulation patterns of major bioactive components in two chemotypes of Agastache rugosa during flower development evaluated by GC-QQQ-MS/MS and UPLC-QTOF-MS/MS analyses

Hui-Dan Hou,Cheng-Ying Wu,Jing Zhou,Fang Long,Hong Shen,Jin-Di Xu,Shan-Shan Zhou,Qian Mao,Ying-Jie Wei,Song-Lin Li

Agastache rugosa (AR) is a wildly cultivated medicinal and aromatic crop, which usually recommended to be harvested when the plant is exuberant with not flowering or in full flower stage. But there is no scientific basis for the support of the cognition. Therefore, the accumulation patterns of major active components during flower development (inflorescences with buds, full bloom and after full bloom stages) in two chemotypes (menthone type and estragole type) of AR were investigated by newly developed GC–QQQ–MS/MS and UPLC–QTOF–MS/MS methods. Five volatile (pulegone, menthone , estragole, methyleugenol and β -caryophyllene) and nine non-volatile components (rosmarinic acid, tilianin, acacetin 7- O -(6"- O -malonyl)- β - D -glucopyranoside, apigenin , agastachoside, isoagastachoside, acacetin 7- O -(2"- O -acetyl-6"- O -malonyl)- β - D -glucopyranoside, cirsimaritin and acacetin) in two chemotypes of AR samples at three stages were simultaneously quantified. It was found that the relatively higher contents of main volatile components were present in menthone type of AR collected at the full flower stage and in estragole type of AR at the after full bloom stage, whereas the relatively higher contents of main non-volatile components were present in menthone type of AR collected at the inflorescences with buds stage and in estragole type of AR at the after full bloom stage. Considering major active volatile and non-volatile components with higher levels, full bloom stage and after full bloom stage should be optimal harvesting time for menthone type and estragole type of AR, respectively.

CAS / MDL: 110-54-3 91-20-3
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MOLECULES · 2022 ·Vol. 27 ·期 11 ·3593 · IF 4.927

Characterization of Volatile Profiles and Correlated Contributing Compounds in Pan-Fried Steaks from Different Chinese Yellow Cattle Breeds through GC-Q-Orbitrap, E-Nose, and Sensory Evaluation

Meng Wei,Xiaochang Liu,Peng Xie,Yuanhua Lei,Haojie Yu,Aiyun Han,Libin Xie,Hongliang Jia,Shaohua Lin,Yueyu Bai,Baozhong Sun,Songshan Zhang

This study focused on characterizing the volatile profiles and contributing compounds in pan-fried steaks from different Chinese yellow cattle breeds. The volatile organic compounds (VOCs) of six Chinese yellow cattle breeds (bohai, jiaxian, yiling, wenshan, xinjiang, and pingliang) were analyzed by GC-Q-Orbitrap spectrometry and electronic nose (E-nose). Multivariate statistical analysis was performed to identify the differences in VOCs profiles among breeds. The relationship between odor-active volatiles and sensory evaluation was analyzed by partial least square regression (PLSR) to identify contributing volatiles in pan-fried steaks of Chinese yellow cattle. The results showed that samples were divided into two groups, and 18 VOCs were selected as potential markers for the differentiation of the two groups by GC-Q-Orbitrap combined multivariate statistical analysis. YL and WS were in one group comprising mainly aliphatic compounds, while the rest were in the other group with more cyclic compounds. Steaks from different breeds were better differentiated by GC-Q-Orbitrap in combination with chemometrics than by E-nose. Six highly predictive compounds were selected, including 3-methyl-butanal, benzeneacetaldehyde, 2-ethyl-6-methyl-pyrazine, 2-acetylpyrrole, 2-acetylthiazole, and 2-acetyl-2-thiazoline. Sensory recombination difference and preference testing revealed that the addition of highly predictive compounds induced a perceptible difference to panelists. This study provides valuable data to characterize and discriminate the flavor profiles in pan-fried steaks of Chinese yellow cattle.Keywords:Chinese yellow cattle;volatile organic compounds;GC-Q-Orbitrap;E-nose;sensory evaluation;multivariate statistical analysis

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Food Analytical Methods · 2020 ·Vol. 13 ·期 10 ·1938-1946 · IF 2.667

Determination of Benzo[a]pyrene in Roast Meat by In Situ Growth of Covalent Organic Framework on Titanium Wire for Solid-Phase Microextraction Coupled with GC-FID

Pang Yue-Hong,Sun Miao,Shen Xiao-Fang,Yue Qi,Ma Tian-Tian,Yang Cheng

Benzo[a]pyrene (BaP) is a kind of trace pollutant commonly found in environment, food, and organism. It has been widely concerned because of its strong carcinogenicity to the human body. In this paper, covalent organic framework TpBD, in situ growth on titanium wire, was used as the coating of solid-phase microextraction (SPME) fiber and coupled with gas chromatography–flame ionization detector (GC-FID) for the detection of trace BaP in roast meat samples. The linear range of the developed method under the optimized experimental conditions was 0.02–15 μg L −1 , the detection limit (S/ N  = 3) was 0.006 μg L −1 , and the limit of quantification (S/ N  = 10) was 0.02 μg L −1 . The intra-day and inter-day precision of a single fiber were 1.73% and 2.27%, respectively. The relative standard deviation (RSD) between fiber-to-fiber was investigated by three as-fabricated fibers was 6.09%. Moreover, the enrichment factor of the fabricated TpBD SPME fiber for BaP was 4914, and the fiber can withstand at least 150 cycles of adsorption and desorption without significantly decrease in extraction efficiency (< 3.6%). Finally, the developed method was successfully applied to the detection of BaP in roast meat samples with the recoveries from 95.4 to 108.5%.

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Catalysts · 2025 ·Vol. 15 ·期 6 ·545 · IF 4

Tailoring Pore Size in Bimetallic Nb-Mn/MCM-41 Catalysts for Enhanced Plasma-Driven Catalytic Oxidation of Toluene

Xiaohong Yao,Jian Zhang,Chao Long

This study explored how pore size engineering in Nb-Mn/MCM-41 catalysts affects plasma-catalytic toluene oxidation. Adjusting the pore diameter (2.49–3.98 nm) modulated metal-support interactions and oxygen dynamics, with pore expansion to 3.73 nm (M3) optimizing the Mn4+/(Mn2++ Mn3+) ratio (XPS: 36.8%), the amount of lattice oxygen species (O2-TPD: 0.222 mmol/g), and crystallite size control (1.5 ± 0.2 nm, TEM). Smaller pores (M1: 2.49 nm) enhanced toluene adsorption but limited active site accessibility, while oversized pores (M4: 3.98 nm) reduced oxygen storage capacity (0.600→0.412 mmol/g). The Nb-Mn/M3 catalyst achieved superior performance with 96.8% toluene conversion, 55.0% CO2selectivity, and 85.4% carbon balance, while minimizing organic byproducts (GC-MS). Mechanistic studies revealed pore-mediated oxygen storage-transport cycles as critical for decoupling adsorption and oxidation steps. This study reveals fundamental mechanisms linking pore architecture to plasma-catalytic synergy in toluene oxidation, offering critical insights for the systematic design of energy-efficient, plasma-catalytic systems targeting industrial VOCs remediation.

CAS / MDL: 6156-78-1
研究领域: 催化化学 · 环境化学 · 材料科学 · 等离子体化学 · 纳米技术 · 表面科学
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MICROCHEMICAL JOURNAL · 2026 · IF 5.2

Walnut shell-supported liquid extraction coupled with GC–MS for analysis of synthetic antioxidants in edible oils: A sustainable strategy with excellent green, blue and red analytical performance

Xinli Xu,Bin Wang,Haihong Shang,Lei Ma,Di Chen

Novel walnut shell-supported liquid extraction (WS-SLE) method was developed. • Direct extraction of edible oils without pretreatment via a 3-step process. • The miniaturized device uses agricultural waste, costing <$0.01 USD per unit. • Highly competitive for large-scale high-throughput screening of edible oils • An exceptionally green analytical method with low cost and simple operation. In this study, an environmentally friendly and convenient walnut shell-supported liquid extraction (WS-SLE) strategy was proposed for the detection of five synthetic antioxidants, including BHA, BHT, TBHQ, EQ, and Ionox-100, in edible oils. The extraction device was constructed with only agricultural waste WS powder and a 1 mL pipette tip. The original edible oil sample was directly loaded into the extraction device without prior dilution or pre-cleanup. After addition of the extraction solvent and standing extraction, the extractant was collected by pipetting. The experimental results demonstrated excellent oil-removal efficiency for all tested edible oil samples, including seven common edible oils and three complex oil samples, with values higher than 99.0%. The study comprehensively investigated and optimized parameters influencing the extraction efficiency of antioxidants. Under the optimized conditions, the method showed excellent analytical performance, including excellent linearity (R 2  ≥ 0.995), limits of detection (0.1–0.4 ng/g), limits of quantification (0.4–1.0 ng/g), accuracy (95.9%–105.0%) and precision (≤ 7.4%). Furthermore, the environmental sustainability, practical applicability, and analytical reliability of the method were systematically evaluated using SPMS, ComplexMoGAPI, BAGI, and RAPI tools. Compared to previously reported methods, the WS-SLE approach offers significant advantages in terms of minimized oil sample consumption, simplified operational workflows, enhanced detection sensitivity, and superior overall greenness. The comprehensive assessment confirmed that the proposed WS-SLE method provides a highly robust, low-cost, easily automatable, and exceptionally green strategy for routine food safety monitoring. Download: Download high-res image (342KB) Download: Download full-size image

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