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ANALYTICAL LETTERS · 2024 · IF 1.6

Banana Peel-Derived Porous Carbon Solid-Phase Microextraction (SPME) with Gas Chromatography-Mass Spectrometry (GC-MS) for the Determination of Polycyclic Aromatic Hydrocarbons (PAHs)

Cheng Qian,Pei Zhang,Chao Nie,Hui Jiang,Linghu Cai,Xiangyu Chen,Minghua Liu

Green MgO-based banana peel activated carbon (MgO-BPAC) with distinctive pore structure features was synthesized with magnesium nitrate as the template and activator. A novel solid-phase microextraction (SPME) fiber was prepared by fixing MgO-BPAC on the surface of a stainless-steel wire using silicone sealant. The fiber was coupled with gas chromatography-mass spectrometry (GC-MS) for headspace-solid phase microextraction-GC-MS (HS-SPME-GC-MS) for polycyclic aromatic hydrocarbons (PAHs). The laboratory-constructed fiber showed good extraction efficiency for naphthalene, acenaphthylene, acenaphthene, fluorene, phenanthrene, and anthracene and the corresponding analytical parameters were determined. The method provided low detection limits (0.86–2.12 ng/L) with satisfactory replicate extractions of one fiber (relative standard deviations ≤ 10.30%) and fiber to fiber reproducibility (relative standard deviations ≤ 13.92%). To validate the performance of the homemade fibers, this approach was used for the determination of the PAHs (0.05 μg/L) in spiked environmental water samples and good recoveries (92.67%–114.45%) were obtained. This study introduces a biocarbon material as a functional fiber coating component which adsorbs aromatic constituents through hydrophobic interactions.

研究领域: 环境科学 · 分析化学
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Food Science and Human Wellness · 2024 · IF 5.6

Application of solid-phase extraction and gas chromatography-mass spectrometry (SPE-GC-MS) in resolution of metabolism pattern of higher alcohols in rat plasma

Yufei Liu,Xiaonian Cao,Zhilei Zhou,Qingxi Ren,Zhongwei Ji,Min Gong,Yuezheng Xu,Weibiao Zhou,Shuguang Chen,Jian Mao

Higher alcohols are key factors affecting sensory quality and post-drinking comfort of alcoholic beverages. A strategy combining solid-phase extraction and gas chromatography-mass spectrometry (SPE-GC-MS) was established to analyze the metabolism pattern of higher alcohols in rat plasma after gavage of 4 common alcoholic beverages including huangjiu, baijiu, wine and brandy. 7 mL of dichloromethane was determined as the optimal extraction condition, and 8 higher alcohols were precisely quantified with detection limits of 1.82−11.65 μg/L, recoveries of 89.07 %−110.89 % and fine repeatability. The fastest absorption and elimination rates of plasma total higher alcohols were observed in baijiu and huangjiu group, respectively, and the highest peak concentration was found in brandy group. Additionally, the metabolic rate of plasma isoamyl alcohol in huangjiu group was faster than that in wine group at the same intragastric administration dosage. This study may provide potential insight for evaluation of alcoholic beverage quality.

CAS / MDL: 75-09-2 67-56-1
研究领域: 分析化学 · 食品科学 · 代谢生物学
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Analytical Methods · 2025 · IF 2.6

A robust approach of QuEChERS combined with GC-MS technique for determination of three typical liquid crystal monomers in mouse serum and various tissues

Wei Chen,Xuanyu Hong,Huachun Liu,Ruifang Fan

Liquid crystal monomers (LCMs) are emerging organic pollutants to which humans are chronically exposed at low doses. Accurate quantification of LCMs in biological matrices remains challenging due to their low environmental concentrations and significant matrix effects. This study developed a novel approach for robust determination of three LCMs including 2,3-difluoro-4-(trans-4-propylcyclohexyl) butoxybenzene (3cH4OdFP), 4-propoxy-4′-cyanobiphenyl (3OCB), and 4-ethyl-4′-(4-propylcyclohexyl)-1,1′-biphenyl (3cH2B) in mouse serum, brain, heart, liver, spleen, lung, and kidney tissues. Serum samples were extracted with n-hexane, while tissues were extracted using acidified acetonitrile followed by QuEChERS cleanup.Separation was achieved on a DB-17HT column, and detection was performed in selected ion monitoring (SIM) mode of GC-MS. The method demonstrated good linearity (r² > 0.995) from 0.5 to 200 ng/mL. Limits of detection were 0.2 ng/g for tissues and 1.0 ng/mL for serum. Average recoveries ranged from 74.32% to 126.0%, with intra-day and inter-day precision between 2.165%-18.53% and 3.749%-19.13%, respectively. The validated method was successfully applied to exposed mice, revealing widespread tissue distribution of three LCMs, with the spleen showing a higher accumulation potential. This sensitive and reliable approach provides robust technical support for internal exposure assessment and toxicological studies of LCMs.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD CHEMISTRY · 2022 · IF 9.231

Characterization of the key aroma-active compounds in high-grade Dianhong tea using GC-MS and GC-O combined with sensory-directed flavor analysis

Lijuan Ma,Manman Gao,Linqi Zhang,Yang Qiao,Jianxun Li,Liping Du,Huiling Zhang,Hong Wang

Dianhong tea (DHT) is popular for its pleasant caramel-like aroma. In this study, the aroma profile of high-grade DHT have been studied using gas chromatography-mass spectrometry (GC-MS) and gas chromatography–olfactometry (GC-O) combined with headspace solid phase microextraction (HS-SPME). A total of 52 aroma-active compounds were identified by GC-O coupled with aroma extract dilution analysis (AEDA) and odor specific magnitude estimation (Osme). Among them, quantification of 21 aroma-active compounds indicated that the content of linalool (5928 µg/kg) was the highest in high-grade DHT, followed by phenylethanol (3923 µg/kg) and phenylacetaldehyde (1801 µg/kg). Sensory-directed aroma recombination and omission tests further verified that phenylacetaldehyde, linalool, geraniol and 3-ethyl-2,5-dimethylpyrazine were important contributors to the overall sensory characteristics of high-grade DHT which dominated mainly by floral, sweet and caramel-like odors. This work will provide a theoretical reference for comprehensively understanding the aroma characteristic of DHT.

研究领域: 食品科学 · 分析化学 · 感官评价
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FOOD RESEARCH INTERNATIONAL · 2026 · IF 8.8

Characterisation of volatile organic compounds in Chlorella pyrenoidosa cultured with different selenium concentrations using E-nose, GC–IMS, GC–MS, and machine learning algorithms

Siyan Liu,Heyu Pan,Yanchao Mao,Feifei Wang,Na Zhang,Shuyi Li,Zhenzhou Zhu

Chlorella pyrenoidosa is a promising plant-based protein source , whereas the volatile off-flavours derived from lipid oxidation substantially limit consumer acceptance. Selenium (Se) is recognised as a beneficial trace element that can improve flavour characteristics in plants by enhancing antioxidant capacity. This study investigated the effects of Se supplementation (0–2 mg/L) on the volatile profile of C. pyrenoidosa and explored the underlying mechanisms. E-nose analysis revealed significant differences in flavour profile among the treatments. GC–IMS and GC–MS identified 25 and 28 volatile organic compounds (VOCs), respectively. Fifteen key aroma compounds were screened by orthogonal partial least squares discriminant analysis (OPLS–DA), random forest (RF) modelling, and odour activity value (OAV) and relative OAV (ROAV) calculations. Notably, 0.50 mg/L Se was identified as the optimal enrichment concentration, as it improved overall flavour quality by reducing aldehyde accumulation, particularly hexanal. This improvement was attributed to Se-mediated reductions in lipid content and enhanced antioxidant capacity, as evidenced by increased glutathione peroxidase (GPx) activity, reduced reactive oxygen species (ROS) levels, and alleviated lipid peroxidation, alongside decreased lipoxygenase (LOX) and hydroperoxide lyase (HPL) activities by 60.08% and 37.31% respectively, thereby inhibiting the formation of off-flavour VOCs. Overall, this study provides the first evidence that Se modulates the flavour profile of C. pyrenoidosa and preliminarily elucidates the mechanism by which appropriate Se supplementation improves flavour quality through reshaping biochemical composition, maintaining redox homeostasis, and regulating key enzymes involved in aldehyde biosynthesis. These findings offer a theoretical foundation for developing novel functional microalgal-based foods.

CAS / MDL: 13019-20-0 1731-84-6
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International Journal of Gastronomy and Food Science · 2026 · IF 3.7

Flavor contributions of fat and sarcoplasmic protein in chicken white soup: A multimodal analysis using GC-MS, GC-IMS, E-nose, and E-tongue

Haining Guan,Yuanhang Zhao,Chunmei Feng,Gaojie Zhao,Nike Tian,Wenxiu Zhang,Dengyong Liu,Xiaoqin Diao

This study investigated the synergistic effect of fat and sarcoplasmic protein on the flavor profile of chicken white soup. The impact of adding 2% fat (2%O), 0.56% sarcoplasmic protein (0.56%P), and their combination (2%O-0.56%P) on volatile compounds, taste components, and sensory characteristics was evaluated. Through odor activity value (OAV) and gas chromatography-olfactometry (GC-O) analysis, hexanal, heptanal, octanal, nonanal, (E,E)-2,4-decadienal, (E)-2-octen-1-al, and 1-octen-3-ol were identified as key aroma contributors. The combination of 2%O and 0.56%P markedly enhanced the aroma profile of the chicken soup, concurrently achieving the highest levels of amino acids and 5′-nucleotides. Furthermore, electronic tongue analysis revealed that the chicken soup supplemented with 2%O-0.56%P exhibited the lowest bitterness value and achieved the highest overall acceptability. These findings demonstrate that the synergistic effect of fat and sarcoplasmic protein effectively improves the flavor quality of chicken white soup, providing a theoretical basis for developing flavorful, tasty, and consumer-preferred chicken soup products.

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JOURNAL OF FOOD PROCESS ENGINEERING · 2026 ·Vol. 49 ·期 5 ·e70517 · IF 3.5

Dynamics of Non-Volatile and Volatile Organic Components During Enzymatic Hydrolysis of Sulfited Sugarcane Syrup: Profiling Using 1H NMR, GC–MS, and GC–IMS

Fengping Pang,Wanbing Cheng,Mingyang Liao,Chengtao Nong,Lisha Ye,Ligao Deng,Jianbin Li

To explore the changes in flavor compounds during the hydrolysis of sulfited sugarcane syrup (SS) by sucrase. This study characterized non-volatile organic compounds (NVOCs) via nuclear magnetic resonance (NMR) spectroscopy. Volatile organic compounds (VOCs) were characterized using gas chromatography–mass spectrometry (GC–MS) and gas chromatography–ion mobility spectrometry (GC–IMS). About 14 NVOCs were identified, with 7 NVOCs, including sucrose, fructose, α-glucose, and β-glucose, showing significant dynamic changes. About 80 VOCs were identified by GC–MS. Pyrazines were the predominant compound in the SS, whereas pyrazines and acids became the major components in the hydrolyzed SS. Enzymatic hydrolysis significantly increased the overall VOCs content, particularly acids and aldehydes, while reducing unpleasant S-containing compounds. Orthogonal partial least squares-discriminant analysis (OPLS-DA) revealed that 30 differential VOCs (Variable Importance in Projection, VIP > 1) served as markers for distinguishing among the five syrup samples. Furthermore, three key differential aroma compounds (2,5-dimethylpyrazine, dimethyl sulfide, and β-damascenone) were identified by VIP and Odor Activity Value (OAV). Additionally, we detected 56 VOCs by GC–IMS. The fingerprint profiles and OPLS-DA confirmed significant differences in VOCs during enzymatic hydrolysis. Overall, these findings offer new insights into the flavor chemistry of SS during enzymatic hydrolysis and a theoretical basis for optimizing flavored syrup processing.

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FOOD RESEARCH INTERNATIONAL · 2026 · IF 8.8

Effects of different roasting temperatures on the flavor characteristics of shelled macadamia kernels: Analysis based on HS-GC-IMS and HS-SPME-GC–MS

Xueping Zhang,Xinxin Yu,Rongsuo Hu,Jiyue Zhang,Wenjiang Dong

This study aimed to evaluate the effect of roasting temperature on the flavor characteristics of shelled macadamia kernels (SMKs) employing quantitative descriptive sensory analysis, color analysis, and two volatile compound profiling techniques, namely headspace-solid-phase microextraction gas chromatography–mass spectrometry (HS-SPME-GC–MS) and headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS). Sensory and color analyses showed that roasting at 140 °C yielded a desirable roasted macadamia product, exhibiting a rich balsam flavor, creamy aroma, and uniform, harmonious faint yellow color. HS-SPME-GC–MS and HS-GC-IMS identified 107 volatile organic compounds (VOCs). Aldehydes, pyrazines, and furans increased with increasing roasting temperature, and these compounds were key contributors to the nutty aroma. Lipid oxidation dominated flavor formation during low-temperature roasting, while Strecker degradation prevailed at high temperatures. Among the VOCs, 23 with relative odor activity values (ROAV) of ≥1 contributed significantly to the overall aroma of roasted SMK. Furthermore, HS-SPME-GC–MS and HS-GC-IMS identified 10 and 16 key VOCs, respectively, including 2-methylpyrazine, 2,5-dimethylpyrazine, 2-ethylpyrazine, nonanal, and propanal. Interestingly, ethanol content showed a significant negative correlation ( p  < 0.05) with “bitter,” and “burnt”, as well as with a*, b*, and c, whereas most pyrazine compounds exhibited positive correlations with these sensory attributes ( p  < 0.05). Altogether, the findings of this study present roasting as an effective approach for enhancing macadamia nut aroma and provide valuable insights for flavor control in nut products.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD CHEMISTRY · 2025 · IF 9.8

Identification of the deterioration flavor markers based on E-nose, GC-IMS and GC–MS during fresh sea cucumber storage and preservation by thymol

Jinghe Sun,Weiyun Zheng,Xiaoyan Wang,Yimeng Li,Jingfeng Yang

The freshness in A. japonicus after thymol treatment was tested. The results showed that sensory scores in thymol group significantly increased 14.83 and 21.67 compared to the Frozen and BK groups after storage. Texture parameters showed that hardness, springiness, and chewiness of body wall treated with thymol were 2.56, 1.21, and 2.02 folds that of the BK group, respectively. Volatile flavor results revealed 38 flavor substances and 33 volatile organic compounds in the body wall. Aldehydes, alcohols, heterocycles, and alkane were the key sources to odor components of A. japonicus , including nonanal, hexanal, 1-octanol, 1-hexanol, d -limonene, and 2-methylbutyl acetate. Moreover, heptenoic acid, dimethyl disulfide, and dimethylamine, as distinct volatile flavor substances, were the main contributors of fishy, malodorous, and spicy smells of autolysis A. japonicus . This study guides the potential use of thymol in sea cucumber preservation and seeks the spoiled flavor markers for non-destructive rapid testing technology development.

CAS / MDL: 108-94-1
研究领域: 食品科学 · 海洋生物学
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JOURNAL OF CHROMATOGRAPHY A · 2024 · IF 3.8

Analysis of volatile compound metabolic profiles during the fermentation of filler tobacco leaves through integrated E-nose, GC–MS, GC-IMS, and sensory evaluation

Mingzhu Zhang,Dongfeng Guo,Guanglong Wu,Ping Han,Yaqi Shi,Tianfei Zheng,Xiaohui He,Eryong Zhao,Hui Zhang,Xingjiang Li

Tobacco is an agricultural commodity with great economic significance. Producers recognize that the flavor characteristics of filler tobacco clear-out (FTLs) affect the quality of cigar tobacco items. To identify the major volatile organic compounds (VOCs) responsible for differences in FTLs, E-nose, HS-SPME-GC–MS, and HS-GC-IMS were employed for multi-dimensional analysis of nine groups of FTLs at various fermentation stages. The E-nose results indicated a progressive increase in nitrogen-oxygen compounds during fermentation. Coupled with these findings, HS-SPME-GC–MS identified 56 VOCs, and HS-GC-IMS revealed 55 VOCs in the FTLs. Principal component analysis (PCA) suggested that FTLs from various fermentation stages of the Yunxue No 39 tobacco plant exhibit significant differences. Partial least squares discriminant analysis (PLS-DA), along with the variable importance in projection (VIP) method for feature selection, pinpointed 12 VOCs as the essential unmistakable metabolites embroiled within the agrarian fermenting prepare of matured FTLs. During the fermentation process, these crucial metabolites are predominantly enriched in pathways including pyruvate metabolism, phenylalanine metabolism, as well as nicotinate and nicotinamide metabolism. The study provides insights into the differences and diversity of FTLs at agricultural fermentation stages. It offers valuable information for optimizing the quality of agricultural fermentation and guiding the directional fermentation of tobacco leaves.

研究领域: 农业 · 化学 · 食品科学 · 分析化学 · 植物科学
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Innovative Food Science & Emerging Technologies · 2024 · IF 6.3

Volatiles and bacterial composition of pickled bamboo shoots within 10 pre-packaged Chinese Luosifen disclosed by GC–MS, GC-IMS, and high-throughput sequencing

Xiya Zhang,Aixia Wang,Jiaxin Li,Yimeng Shan,Xue Gong,Hanlin Yao,Wenling Zhou,Manxing Wang,Bangqi Liang,Fengzhong Wang,Li-Tao Tong

Pickled bamboo shoots represent a type of fermented bamboo shoot product. In China, pickled bamboo shoots are regarded as the soul of Luosifen, which is a local specialty food in Liuzhou (Guangxi Zhuang Autonomous Region, China). To exemplify the uniqueness of the pickled bamboo shoots, we analyzed the pickled bamboo shoots within 10 pre-packaged Chinese Luosifen to determine the composition of volatiles and bacteria, and subsequently examined the correlation between them. The volatiles were identified using gas chromatography–mass spectrometry (GC–MS) and gas chromatography-ion mobility spectrometry (GC-IMS). Meanwhile, high-throughput sequencing technology was employed to investigate the bacterial composition. The results indicated that the pH values of the samples exhibited minimal variance (ranging from 3.71 to 4.53), while the total acid (measured as g lactic acid /L) varied (from 4.65 to 10.3 g lactic acid /L). Lactic acid, acetic acid, and succinic acid were the predominant organic acids. 50 volatiles were detected by HS-GC-MIS, and 108 volatiles were identified by HS-SPME-GC–MS. p -Cresol (76,541.67 < OAV < 248,166.67), acetic acid (482.31 < OAV < 1164.62), and hexanoic acid (108.33 < OAV < 1333.33) were the common distinctive volatiles among the 10 samples. Proteobacteria and Firmicutes, as the dominant phyla, were positively and negatively related to 1-butanol (R = 0.66, − 0.66), respectively. Industrial relevance In China, Luosifen, as a local delicacy, enjoys popularity among the public for its sour, smelly, spicy, fresh, and oily features. Among them, pickled bamboo shoots are highly sought after for their distinctive sour and refreshing flavor. Nevertheless, some individuals cannot tolerate the sour smell of pickled bamboo shoots yet still have a desire to consume Luosifen. To address this issue, it is crucial to determine what constitutes the pungent odor in pickled bamboo shoots and subsequently regulate it to meet the requirements of diverse consumers and enhance the economic benefits of the Luosifen industry. This study disclosed the stimulant flavor substances of pickled bamboo shoots in 10 pre-packaged Luosifen detected by GC–MS and GC-IMS, offering a theoretical foundation for subsequent regulation.

研究领域: 食品科学 · 微生物学 · 分析化学
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JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES · 2019 · IF 2.813

Study on chemical constituents of herbal formula Er Miao Wan and GC–MS based metabolomics approach to evaluate its therapeutic effects on hyperuricemic rats

Bixia Huang,Xuewen Hu,Jiancheng Wang,Ping Li,Jun Chen

Hyperuricemia strongly correlates with an increased risk of the development of gout, and cardiovascular and kidney diseases, etc. Er Miao Wan (EMW) is a classical traditional Chinese medicine (TCM) formula extensively used for the treatment of hyperuricemia and gout. However, the global components and action mechanism of the formula are still unknown. Here, the chemical constituents of EMW extract were identified by ultra-high performance liquid chromatography quadrupole-time-of-flight mass spectrometry (UPLC-Q-TOF/MS) and gas chromatography–mass spectrometry (GC–MS). A total of 24 alkaloids, 15 organic acids, 4 terpenoids , 3 lactones , 3 glycosides , 46 volatile constituents and 3 other compounds were tentatively identified from the EMW extract. Additionally, based on the hyperuricemic rat model induced by long-term high-fructose feed, a GC–MS based metabolomics approach was conducted to holistically assess the mechanism of EMW. Principal component analysis (PCA) and orthogonal partial least squares-discriminant analysis (OPLS-DA) were applied for screening differential metabolites. A total of 21 metabolites that markedly changed in hyperuricemic rats were identified. Further univariate analysis showed that 9 differential metabolites among them were profoundly reversed by EMW intervention. Metabolic pathway analysis revealed that the variations of these metabolites were mainly associated with glycerolipid metabolism, amino acid metabolism, primary bile acid metabolism, taurine and hypotaurine metabolism and purine metabolism. It was inferred that EMW possibly induced its anti-hyperuricemic effect through restoring multiple disturbed pathways to the normal state. This study could assist with elucidating the potential mechanisms of EMW.

研究领域: 药理学 · 代谢组学 · 中医药学 · 生物化学
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