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MICROCHEMICAL JOURNAL · 2025 · IF 5.1

MOF-on-MOF derived nitrogen-doped carbon-graphitic carbon/carbon nanotubes as solid-phase microextraction coating for extraction of polychlorinated biphenyls

Zhen Song,Huina Zhou,Zhenzhen Liu,Mengying Xia,Qianqian Lv,Yi Yuan,Minghua Lu

Advanced fiber coating materials are pivotal for achieving good performance in solid-phase microextraction (SPME). To enhance the adsorption capacity of metal-organic framework (MOF)-derived carbon materials, we developed a novel two-dimensional/three-dimensional (2D/3D) MOF co-growth strategy. This approach synthesizes a core-shell structured 2D ZIF-L@ZIF-67 hybrid framework through controlled crystallization of 3D ZIF-67 (Co) on 2D ZIF-L (Zn) substrates. Subsequent pyrolysis converts this material into nitrogen-doped carbon-graphite carbon/carbon nanotube heterostructures (NC@GC/CNTs) with hierarchical porosity. The NC@GC/CNTs were utilized as fiber coating material of SPME to enrich trace polychlorinated biphenyls (PCBs) in jasmine tea, barrel drinking water, and green tea beverages. The adsorption performance of the fiber toward PCBs were significantly improved, which can be attributed to cation-π interaction, π-π interaction, and strong hydrophobic effect between fiber coating and analytes. Using NC@GC/CNTs as fiber coating material, a headspace SPME (HS-SPME) coupling with gas chromatography-flame ionization detector (GC-FID) was developed to quantitative analysis of PCBs. Under the optimal conditions, the HS-SPME-GC-FID method exhibited a wide linear range (0.005–30 ng·mL −1 ) with a good linear correlation coefficient (R 2  ≥ 0.9947), low limits of detection (0.001–0.003 ng·mL −1 ), and high enrichment factors (11077–14,447). The recoveries of method to PCBs were obtained in the range of 83.2–119.6 % in real samples.

研究领域: 分析化学 · 材料科学 · 环境科学 · 纳米技术
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Food Chemistry-X · 2026 · IF 9.2

A novel cucurbit[6]uril derivative-based integrated SPME–GC analysis system for efficiently determining the migration of multiple classes of plastic additives from food contact materials

Zan Tan,Fengping Hou,Tingyi Qiao,Nan Dong

The migration of harmful plastic additives with diverse polarities and boiling points from plastic food contact materials (FCMs) poses a risk to human health, necessitating simple and effective analytical methods. Herein, a π-conjugated truxene (Tr) was covalently bonded with cucurbit[6]uril (Q[6]) to afford a novel Q[6]-Tr compound, which was fabricated as both a solid-phase microextraction (SPME) fiber coating and a gas chromatography (GC) stationary phase to establish an integrated SPME-GC system. The proposed method determined 9 plastic additives from 4 categories, showing good linearity (R 2  ≥ 0.9863) over 5–1000 μg/L, low detection limits (0.21–0.45 μg/L), enrichment factors of 13–42, and satisfactory recoveries (70.8–97.5%), with performance superior to commercial counterparts. Practical application quantified BHT migration from takeout containers (2.341 μg/L) and DIBP from containers and plastic bags (2.504 and 4.954 μg/L). This dual-functional Q[6]-Tr system offers an organic solvent-free, universally applicable approach for multiclass additive analysis in FCMs.

CAS / MDL: 131-18-0 83-32-9 84-74-2
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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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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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JOURNAL OF FOOD SCIENCE · 2025 ·Vol. 90 ·期 12 ·e70753 · IF 3.4

Characterization and Discrimination of Volatile Compounds in Honeysuckle From Different Plots Using E-Tongue, E-Nose, GC-IMS, and HS-SPME-GC–MS Combined With Random Forest Algorithm

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.

CAS / MDL: 67-56-1
研究领域: 食品化学 · 分析化学 · 植物科学 · 感官分析 · 化学计量学 · 产地溯源
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Food Analytical Methods · 2015 ·Vol. 9 ·期 5 ·1188-1198 · IF 1.956

Characterization of Aroma-Active Compounds of Pu-erh Tea by Headspace Solid-Phase Microextraction (HS-SPME) and Simultaneous Distillation-Extraction (SDE) Coupled with GC-Olfactometry and GC-MS

Xu Yong-Quan,Wang Chao,Li Chang-Wen,Liu Shun-Hang,Zhang Chen-Xia,Li Li-Wei,Jiang Dong-Hua

Aroma volatiles from ripened and raw pu-erh tea were extracted by headspace solid-phase microextraction (HS-SPME) and simultaneous distillation-extraction (SDE). They were then characterized and identified using gas chromatography-olfactometry (GC-O) and gas chromatography-mass spectrometry (GC-MS). The conditions of HS-SPME including fiber selections and sampling condition optimization have been previously investigated. With the two methods, 39 and 33 aroma-active compounds were detected and characterized in ripened and raw pu-erh tea samples, respectively. The aroma-active compounds with similar sensory descriptors were grouped into the same category, and the sum of individual aroma intensity values within each category showed that the floral aroma (33.01 %), stale/musty aroma (25.24 %), and woody aroma (11.17 %) were the major aroma categories in ripened pu-erh tea. Alcohols ( floral aroma notes), methoxyphenolic compounds ( stale/musty aroma notes), and ketones ( woody or floral aroma notes) play a vital role in the special flavor of ripened pu-erh tea. In raw pu-erh tea, the floral aroma (38.62 %) and fruity aroma (16.55 %) were the major aroma categories. These aromas were closely related to the characteristics of raw pu-erh tea aroma and its sensory perception.

研究领域: 食品科学 · 分析化学
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Food Chemistry-X · 2026 · IF 9.2

Analysis of characteristic flavor compounds in coffee peels subjected to different thermal processing treatments based on GC–IMS and HS-SPME–GC–MS combined with chemical pattern recognition

Congyan Meng,Jie Wu,Chunrong Yan,Jianqiang Wei,Yuanxing Zhang,Tianjun Yuan,Ying Hou

This study investigated the effects of microwave thermal processing treatment (MD) and hot-air thermal processing treatment (HAD) on the volatile flavor compounds of coffee peel, using sun-dried (SG) samples as the control. GC–IMS and HS-SPME–GC–MS were combined with multivariate analyses (PCA and PLS-DA) and ROAV evaluation. A total of 62 and 56 volatile organic compounds (VOCs) were tentatively identified by GC–IMS and GC–MS, respectively, with ketones, aldehydes, alcohols, and esters representing the predominant classes. The two analytical methods exhibited complementary detection capabilities. PCA and PLS-DA clearly differentiated the three thermal drying treatments. Aroma-related compounds (VIP > 1 and ROAV ≥ 1) included 2-furanmethanethiol, 3-methylbutanal, (E)-2-decenal, ethyl heptanoate, hexanal, benzyl alcohol, linalool and β-ionone. Based on the nine core coffee flavor categories, SG exhibited a complex aroma profile characterized by herbal/vegetable, fruity, and nutty/cocoa notes; HAD was distinguished by highly pronounced floral notes; whereas MD presented both floral and roasted characteristics. The integrated analytical strategy effectively discriminated among different thermal processing treatments and identified putative aroma markers, which require further validation through olfactometry or sensory evaluation. This study provides a scientific basis for elucidating the flavor profile of coffee peel and supports the further development of coffee cascara tea products.

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JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE · 2026 · IF 4

Effects of chicken fat oxidation levels on flavor compounds and sensory properties of Maillard reaction products in chicken bone broth: HS-SPME-GC–MS and molecular simulation approach

Xinlei Shi,Heyan Li,Ling Yao,Nanyu Zhao,Zhihua Song,Jianhua Huang,Xiaosan Wang

BACKGROUND Moderate oxidation of chicken fat plays a vital role in enhancing meat aroma, yet the specific contributions of oxidation products to olfactory perception remain unclear. The present study investigated the effects of varying chicken fat oxidation levels on the volatile compounds and sensory properties of Maillard reaction products (MRPs) derived from chicken bone hydrolysate. RESULTS Headspace-solid phase microextraction gas chromatography–mass spectrometry (HS-SPME-GC–MS) identified 132 volatile compounds in MRPs. Thirteen key aroma-active compounds exhibited odor activity values (OAVs) ≥ 1, notably ( E , E )-2,4-decadienal, ( E , E )-2,4-nonadienal and 2- n -heptylfuran, which contributed MRPs fatty, green and roasted notes. Molecular docking revealed that these volatiles formed stable interactions with specific human olfactory receptors, particularly OR1D2, with binding energies ranging from −6.2 to −3.8 kcal mol −1 . Among them, ( E , E )-2,4-decadienal exhibited the highest binding affinity (−6.2 kcal mol −1 ). Molecular dynamics simulations (100 ns) were further performed to assess the dynamic stability and key interactions of these receptor-ligand interactions. The results indicated that the complexes reached equilibrium after approximately 10–20 ns. Specifically, ( E , E )-2,4-decadienal exhibited the most stable binding conformation, characterized by a root mean square deviation of approximately 0.50 nm and persistent hydrogen bonding with Tyr-182. CONCLUSION Moderate lipid oxidation (specifically the O3 treatment, oxidized for 1.5 h) significantly enhanced chicken flavor by generating key aroma-active compounds that tightly and stably bind to human olfactory receptors. These findings provided theoretical insights into the potential molecular interaction mechanisms of meat aroma perception and suggested that controlled lipid oxidation is a feasible strategy for flavor enhancement. © 2026 Society of Chemical Industry.

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Food Chemistry-X · 2024 · IF 6.5

Comparative study on chemical compositions and volatile profiles of seed oils from five common Cucurbitaceae species

Pengfei Han,Jiawei Cheng,Jingyi Wang,Jingren He,Rui Zhang,Muci Wu,Yin Xiong

The chemical compositions and volatile profiles of wax gourd seed oil (WGSO), watermelon seed oil (WSO), pumpkin seed oil (PSO), cucumber seed oil (CSO), and bitter gourd seed oil (BGSO) were comparatively explored for the first time. All oils complied with standards for physicochemical properties and BGSO had the highest phenolic content. Their mineral levels varied significantly. The fatty acid composition of WGSO, WSO, PSO, and CSO was similar, predominantly linoleic acid. Whereas BGSO exhibited a distinct fatty acid profile with 55.38 % α-eleostearic acid. All samples were rich in tocopherols and squalene, with WSO having the highest total tocopherol content and PSO having the highest squalene content. HS-GC–IMS and HS-SPME-GC–MS detected 118 and 67 VOCs, respectively, primarily consisting of aliphatic aldehydes, alcohols, esters, and ketones. Principal component analysis confirmed that BGSO had the most distinctive volatile characteristics, while the other four seed oils shared similar VOC profiles.

研究领域: 食品科学 · 化学 · 农业 · 分析化学
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JOURNAL OF CHROMATOGRAPHY A · 2020 · IF 4.049

A polythiophene/UiO-66 composite coating for extraction of volatile organic compounds migrated from ion-exchange resins prior to their determination by gas chromatography

Jiayang Zhang,Birong Zhang,Xueping Dang,Zhiyong Song,Yuling Hu,Huaixia Chen

A Poly (3,4-ethylenedioxothiophene) (PEDOT)/UiO-66 composite was electrodeposited on an etched stainless-steel wire as head-space solid-phase microextraction (HS-SPME) coating. A robust, well controlled thickness, and uniform coating of metal organic framework composites can be realized by the electrodeposited strategy. The incorporated UiO-66 not only enhanced the uniformity and stability of the composite coating, but also effectively decreased the stacking phenomenon of PEDOT and improved its extraction efficiency, which was over 100 times higher than that of the PEDOT coating without UiO-66. The composite coating was used to enrich seven types of volatile organic compounds (VOCs) in ion-exchange resins, including methyl cyclohexane, benzene, toluene, ortho-xylene, styrene, para-xylene and divinyl-benzene. The results of adsorption isotherm analysis showed that π stacking effect played dominant role between the composite coating and VOCs in the extraction process. The composite coating was characterized by scanning electron microscopy, X-ray diffraction, Fourier transform infrared and thermogravimetric analysis, respectively. A determination method for seven kinds of VOCs was established by HS-SPME coupled with gas chromatography-flame ionization detection (GC-FID). Under the optimal experimental conditions, the detection linear range (LRs) was 0.09-100 ng mL −1 , and the detection limit (LODs) was 0.03-0.06 ng mL −1 (S/N = 3). The method was applied for the migration detection of VOCs in four types of ion-exchange resin, which showed satisfactory recovery (84.5-117.2%).

研究领域: 分析化学 · 环境科学 · 材料科学
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Analytical Methods · 2016 ·Vol. 8 ·期 23 ·4727-4735 · IF 1.915

Characterization of the aromatic profile in “zijuan” and “pu-erh” green teas by headspace solid-phase microextraction coupled with GC-O and GC-MS

Chaojun He,Xiangmeng Guo,Yumin Yang,Yanfu Xie,Fengyang Ju,Wenbo Guo

Aroma volatiles from zijuan and pu-erh green teas were extracted by headspace solid-phase microextraction (HS-SPME). They were then characterized and identified using gas chromatography-olfactometry (GC-O) and gas chromatography-mass spectrometry (GC-MS). The conditions of HS-SPME, including fiber selection and optimization of sampling conditions, have been previously investigated. Under optimal conditions, 51 and 42 aroma-active compounds were detected and characterized in zijuan and pu-erh green tea samples, respectively. Alcohols, ketones, and hydrocarbons were qualitatively the most dominant aroma-active compounds in zijuan and pu-erh green teas. The aroma-active compounds with similar sensory descriptors were grouped into the same category, and the sum of individual aroma intensity values within each category showed that the “floral” aroma, “woody” aroma, and “fruity” aroma in both zijuan and pu-erh green teas were the major aroma categories. These aroma notes were closely related to the characteristics of green tea aroma and its sensory perception.

研究领域: 食品科学 · 分析化学 · 茶叶科学
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CHEMICAL ENGINEERING JOURNAL · 2023 · IF 15.1

New insights into the effects of isomeric chlorine substitution on microstructures and enrichment capacities of functionalized polystyrene nanospheres

Xiaoying Feng,Yixin Kuang,Suxin Zhou,Juan Zheng,Gangfeng Ouyang

The substitution position of functional group is potential to affect the microstructure and adsorption performance of functionalized polystyrene (PS) nanospheres, yet to be explored. In this study, a series of hyper-crosslinked PS nanospheres with isomeric chlorine substitution have been prepared by emulsion polymerization and Friedel-Crafts reaction. The detailed characterizations indicated that the substitution position of chlorine greatly influenced the pore volume and specific surface area of constructed PS nanospheres, and the hyper-crosslinked ortho -Cl-functionalized nanospheres ( o - x ClFNs) possessed the highest specific surface area and largest pore volume, followed by para - and meta -Cl-functionalized nanospheres ( p - x ClFNs and m - x ClFNs). Besides, these PS nanospheres were fabricated as even solid phase microextraction (SPME) coatings to study their extraction performance for substituted benzenes, chlorobenzenes, polychlorinated biphenyls (PCBs) and polybrominated biphenyls (PBBs). The experimental results showed that the p - x ClFNs possessed the most outstanding extraction efficiencies for halogenated organic pollutants, and it was combined with gas chromatography-mass spectrometry (GC–MS) to develop a highly sensitive method, realizing the precise quantifications of trace PCBs and PBBs in environmental water. Our work provided invaluable insights on the choice of functional monomer to construct high-performance adsorbent, also demonstrated the important function of PS on the enrichments of organic pollutants.

研究领域: 材料科学 · 环境科学 · 分析化学
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