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Foods · 2025 ·Vol. 14 ·期 18 ·3223 · IF 5.1

Unraveling the Key Odorants in Floral-Fruity Aroma Pu-Erh Tea via GC-O-MS, GC-MS/MS, Aroma Recombination, and Omission Tests

Xianxiu Zhou,Jiajing Hu,Hongchun Cui,Jiahao Tang,Yongwen Jiang,Haibo Yuan,Jiahua Li,Yanqin Yang

Floral–fruity aroma Pu-erh tea (FFAPET) is highly valued by consumers for its distinctive and appealing fragrance. This study conducted a comprehensive investigation into the volatile components of FFAPET using advanced analytical techniques, including GC-O-MS, GC-MS/MS, aroma recombination, and omission tests. Compared with traditional stale aroma Pu-erh tea, FFAPET exhibited higher levels of alcohols and alkenes. Through GC-O-MS combined with OAV analysis, 10 key active-aroma compounds were identified in representative FFAPET samples. These compounds included (E, E)-2,4-heptadienal, phenylethyl alcohol, geraniol, (E,Z)-2,6-nonadienal, (Z)-4-heptenal, 2-phenethyl acetate, 2,2,6-trimethylcyclohexanone,D-limonene,β-ionone, and linalool, all of which made significant contributions to the development of the characteristic floral–fruity aroma profile. Tests involving aroma recombination and omission further confirmed that seven of these odorants played essential roles in defining the overall aroma of FFAPET. These findings offer valuable theoretical insights for the enhancement and regulation of Pu-erh tea flavor, particularly for the optimization of the floral–fruity aroma characteristics.

CAS / MDL: 110-38-3
研究领域: 食品化学 · 风味科学 · 分析化学 · 茶叶科学
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EUROPEAN FOOD RESEARCH AND TECHNOLOGY · 2025 · IF 3.2

Determination of seven fatty acids in plasma of rats after oral administration of Xanthoceras sorbifolia bunge oil by GC-MS and pharmacokinetic study

Guo Shuang,Qiao Xuan,Lv Zihan,Li Lintao,Liang Yutong,Meng Zhiyun,Gan Hui,Gu Ruolan,Wu Zhuona,Dou Guifang,Li Gaoying,Liu Shuchen

This work aims to establish a highly selective, sensitive, and accurate gas chromatography-mass spectrometry (GC-MS) method for detecting concentrations of seven representative fatty acids absorbed into the bloodstream after a single gavage of 10 mL/kg Xanthoceras sorbifolia Bunge ( X.sorbifolia ) oil in rats and conducting pharmacokinetic studies. The plasma samples were processed using two-step derivatization with NaOH and BF 3 -CH 3 OH, with an Agilent HP-88 capillary column serving as the stationary phase. Concentrations of seven fatty acids, namely hexadecanoic acid (palmitic acid, C16:0), octadecenoic acid (stearic acid, C18:0), cis -9-octadecenoic acid (oleic acid, C18:1), cis -9,12-octadecadienoic acid ( linoleic acid, C18:2), cis -11-eicosenoic acid (gondoic acid, C20:1), cis -13-docosaenoic acid (erucic acid, C22:1), and cis -15-tetracosenoic acid (nervonic acid, C24:1), were quantitatively determined under programmed temperature and ion detection mode. The results showed that the seven fatty acids were well separated and exhibited a good linear relationship between concentration and peak area ratio within the detection range (R 2  > 0.99). The precision and accuracy within and between batches were both less than 15%. After derivatization, the plasma samples remained stable at -20 °C, 4 °C, and 10 °C; The matrix effect did not affect the quantitative analysis, and the extraction recovery rate ranged from 100.3% to 107.76%. After gavage administration of X.sorbifolia oil to rats, the levels of unsaturated fatty acids in the blood were significantly increased compared to those in the blank control group. The peak concentration (T max) was 7–8 h, and the mean retention time (MRT) was 10–12 h. This experiment provides a basis for elucidating the potential material basis of the nutritional efficacy of X. sorbifolia oil after oral administration.

CAS / MDL: 112-63-0
研究领域: 分析化学 · 药理学 · 生物化学 · 营养学 · 药物化学
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Food Bioscience · 2024 · IF 4.8

Characterizing the key aroma compounds of barley malt from different origins using GC-E-Nose, HS-SPME-GC-MS, and HS-GC-IMS

Mingtao Ma,Ziqiang Chen,Bing Huang,Xingguang Chen,Hua Liu,Zhengcong Peng,Peilin Dong,Jian Lu,Dianhui Wu

The origin of malt is a crucial factor influencing malt flavor. In this study, the volatile compounds of barley malt from four different producing areas were comprehensively characterized by gas chromatography electronic nose (GC-E-Nose), gas chromatography-mass spectrometry (GC-MS), and gas chromatography ion mobility spectrometry (GC-IMS). GC-E-Nose analysis revealed significant differences in volatile flavor compounds among malt samples from different origins. GC-MS identified 71 volatile compounds, with aldehydes being the most abundant in all four samples. GC-IMS identified 50 volatile compounds, and obtained the most abundant aldehydes included butyraldehyde, 3-methyl-2-butyraldehyde. etc not detected by GC-MS. The combination of GC-MS data with odor activity value (OAV) analysis identified 24 flavor compounds as key aroma compounds (OAV ≥1). Partial least squares discriminant analysis (PLS-DA) model combined with one-way analysis of variance (ANOVA) was used to screen out seven volatile markers: 1-penten-3-ol, decanal, ethyl butyrate, ethyl acetate, ethyl isovalerate, isoamyl acetate, and dimethyl sulfide. The integration of these techniques provided a better characterization of flavor compounds and their differences in malt from different origins. The results provided theoretical guidance for the factory to improve malt flavor quality.

CAS / MDL: 123-96-6
研究领域: 食品科学 · 分析化学 · 农学
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Surfaces and Interfaces · 2024 · IF 5.7

Molecular dynamics simulation of the effects of base oils in barium-based greases on tribological properties based on IR and GC/MS data

Hao Xu,Run-Song Wang,Yang-Yang Yan,Xing Fan,Xiang Bai,Wen-Long Mo,Xian-Yong Wei

Twelve kinds of base oils were characterized by a series of analytical methods to obtain detailed composition and structure information. Mineral oil and poly alpha olefin oil were mainly composed of long-chain alkanes, while ester oil was mainly composed of ester compounds. Ten of the 12 base oils were selected to synthesize barium lubricating greases . Both base oils and greases were evaluated by molecular simulation , and the corresponding molecular models were constructed based on the structural information of base oils. Grease models constructed by barium 12-hydroxystearate and ester oil exhibited the largest surface adsorption energy and intermolecular interaction energy, respectively, because polar groups in lubricant tend to adsorb on metal surface and form an absorbing film. Comparing physicochemical properties of the synthesized barium lubricating greases. The temperature resistance of grease presents a positive correlation with the simulated intermolecular interaction energy.

研究领域: 化学工程 · 材料科学
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FOOD CHEMISTRY · 2026 · IF 10.4

Analyzing the effect of dietary isoleucine on characterization of flesh flavor using a combination method of E-tongue, E-nose, and GC–MS

Kaixuan Ren,Xiaoqiu Zhou,Lin Feng,Pei Wu,Yang Liu,Hongyun Zhang,Yaobin Ma,Hongmei Ren,Xiaowan Jin,Weidan Jiang

E-tongue analysis shows that Isoleucine (Ile) enhances the overall flavor of flesh. • Ile affects volatile content in flesh, as shown by E-nose and GC–MS analysis. • Ile enhanced fatty acid (FA) synthesis and elevated FA content. • Ile promoted the movement of FA from lipid droplets to mitochondria for oxidation. • Ile increased adenosine phosphate content while decreasing hypoxanthine in flesh. This experiment used combination of electronic tongue, electronic nose, and gas chromatography mass spectrometry methods to analyze the impact of dietary isoleucine (Ile) on the flavor in grass carp muscle. Key findings include: Ile improved the sweetness and umami and reduced sourness and bitterness of the flesh. Ile inhibited sulfide and the relative content of volatile compounds like nonanal and hexanal in muscle. Second, Ile enhanced the content of adenosine triphosphate, adenosine diphosphate, and adenosine monophosphate, and decreased the content of hypoxanthine. Furthermore, Ile raised the content of fatty acid (FA) and the enzymes related to FA synthesis. Based on the above results, it can be concluded that dietary Ile improved flesh flavor by reducing the relative content of volatile compounds like 1-octen-3-ol and increasing the content of FA and nucleotides, providing valuable insights into improving flesh quality. Download: Download high-res image (107KB) Download: Download full-size image

✓ 已验证 DOI PubMed 高影响因子
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FOOD HYDROCOLLOIDS · 2026 · IF 13.8

Polysaccharide-induced Hypophthalmichthys molitrix surimi gel for controlling fishy smell release: Sensory, HS-GC-IMS, HS-SPME-GC-MS screening and textural characteristics

Xin Jiang,Qianqian Liang,Zhengpeng Wei,Shiqiang Yin,Jinmei Wang,Yanjun Duan,Wenzheng Shi

The role of polysaccharides toward controlling the release of off-flavors in silver carp surimi gels and the textural characteristics was investigated. Results showed that the addition of sodium octenyl succinate starch (SSOS), acetylated distarch phosphate (ADSP), agar (AG), β-cyclodextrin (CD), gellan gum (GG), and konjac glucomannan (KGM) from 18 polysaccharides reduced the release of fishy smell, which was considered the most unpleasant and predominant odor in surimi gels. Based on the results of HS-GC-IMS and HS-SPME-GC-MS, gels AG, CD, and KGM showed more efficient adsorption capacity for volatile flavor compounds including hexanal, heptanal, nonanal, decanal, and 1-octen-3-ol. Among these, the hardness in gels AG, GG, and KGM increased, while deformation and gel strength decreased, resulting in a reduction in smoothness of the microstructure. The whiteness of the gels SSOS and CD were maintained, but the hardness of SSOS, ADSP, and CD decreased. Correlation studies indicated that the adsorption capacity of polysaccharides on volatile flavor compounds exhibited a negative correlation with hardness, chewiness, and water holding capacity, as well as a ∗ and b ∗ values. This comprehensive research provided new insights for selecting polysaccharides intended for flavor regulation in surimi products.

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AQUACULTURE INTERNATIONAL · 2023 · IF 2.9

Mechanisms for improving the quality of crucian carp (Carassius auratus) by short-term low-salinity treatment revealed by UPLC-MS and GC–MS

Hong Yawen,Pan Yunyun,Zhu Qijian,Li Yongyong,Yang Huicheng,Lin Bangchu,Dong Zheyun,Lou Yongjiang,Fu Shiqian

Due to high-density farming methods and poor farming environments, freshwater fish often have poor muscle texture and a fishy odor before marketing, which impacts consumer acceptance. Short-term low-salinity seawater treatment of freshwater fish before marketing has been found to improve the quality of the fish, but the mechanisms underlying this phenomenon have not yet been revealed. In this study, metabolomics technique was used based on gas chromatography-mass spectrometry (GC–MS) and ultra-performance liquid chromatography-mass spectrometry (UPLC-MS) to screen different metabolites and predict potential metabolic pathways after treatment with low-salinity seawater. The results showed that 3838 metabolites were presented in all of the carp samples, while 62 and 64 differential metabolites were found in the comparative groups (FW, SW, and CK represented freshwater, seawater and non-transient group, respectively). Additionally, 25 and 26 metabolic pathways were enriched from these groups. Glutaric acid, PC, and creatinine might be potential biomarkers. Seawater aquaculture significantly altered the lipid metabolism, nucleotide metabolism, and amino acid metabolism of carp, enhancing its freshness and having a significant impact on its quality. This study provided insights into the metabolic changes in carp under different rearing conditions and also served as a theoretical basis for salinity treatment before freshwater fish are brought to the market.

CAS / MDL: 110-54-3 110-86-1
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JOURNAL OF CHROMATOGRAPHIC SCIENCE · 2023 · IF 1.3

Quality Evaluation of Volatile Oil in Yanyangke Mixture (YM) Based on GC–MS Fingerprint, GC Multicomponent Quantitative Analysis and Chemical Pattern Recognition Analysis

Liang Xiaolian,Yang Zhengteng,Ma Jiabao,Wang Minggang,Zhao Fengxian,Zhou Chuhui,Feng Jiaru,Song Haimei,Chen Yong,Gui Xiongbin

Yanyangke mixture (YM) is composed of 12 kinds of traditional Chinese medicine (TCM) used for the treatment of patients with cough, dry throat and other diseases caused by acute or chronic pharyngitis or patients with difficulty in expectoration. With the wide application of YM in clinical practice, its quality control has attracted huge attention. Based on the multi-component characteristics of Chinese herbal medicines, it is pertinent to establish a quality evaluation system. A new idea is to adopt gas chromatography–mass spectrometry (GC–MS) chemical composition identification, GC–MS fingerprint, and GC content determination as a potential quality control index of the volatile oil in YM. In this study, the volatile oil of YM was extracted by steam distillation, and the chemical components of the volatile oil were analyzed by GC–MS, and 43 chemical components were identified. The fingerprint of the volatile oil from YM was established and the similarity evaluation was performed. Combined with chemometric methods, such as cluster analysis, principal component analysis and partial least squares analysis, the chemical composition differences of the volatile oil from different batches of YM were compared and the symbolic components affecting the quality of the volatile oil from different batches of YM were excavated. Finally, three components were selected as the potential active component markers of YM and the GC content determination method of these three components was established. A rapid, reasonable, and effective quality evaluation and control method of YM volatile oil was established, which provided a reference for further development and research on YM, as well as a new idea for research on other TCM prescriptions.

CAS / MDL: 4179-19-5
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ANALYTICA CHIMICA ACTA · 2016 · IF 4.712

In situ hydrothermal growth of ZnO/g-C3N4 nanoflowers coated solid-phase microextraction fibers coupled with GC-MS for determination of pesticides residues

Ning Zhang,Jia Gao,Chuanhui Huang,Wei Liu,Ping Tong,Lan Zhang

In this paper, Zinc oxide (ZnO) hybridized with graphite-like C 3 N 4 (ZnO/g-C 3 N 4 ) nanoflowers based solid phase microextraction (SPME) coating was prepared on fiber using in situ hydrothermal growth method for gas chromatographic -mass spectrum (GC- MS) separation and analysis target analytes in complex matrixes for the first time. The proposed hybrid ZnO/g-C 3 N 4 fiber exhibited wide linearity for the pesticide residues in range of 0.003–5.0 ng mL −1 . The limits of detection (LOD) were 0.001–0.0025 ng mL −1 . The relative standard deviation (RSD) for three replicate extractions using one fiber was ranged from 2.3% to 7.6%. The fiber to fiber RSD was 5.3–11.3% (n = 3). This method was successfully used for simultaneous determination of nine pesticide residues in cucumber, pear, Green tea and Minjiang water with satisfactory recoveries of 79.1–103.5%. These results indicated that the ZnO/g-C 3 N 4 composite provided a promising alternative in sample pretreatment and analysis.

研究领域: 分析化学 · 环境科学
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Food Additives and Contaminants Part A-Chemistry Analysis Control Exposure & Risk Assessment · 2023 · IF 2.9

Simultaneous determination of cyanide and thiocyanate in milk by GC-MS/MS using cetyltrimethylammonium bromide as both phase transfer catalyst and protein precipitant

Xing Li,Yongyan Ji,Tiehong Zu,Xuezhe Huang,Jing Wang,Yanzhong Cao,Zongyan Cui

A method was developed for simultaneous determination of cyanide and thiocyanate in milk by gas chromatography-tandem quadrupole mass spectrometry (GC-MS/MS). Cyanide and thiocyanate were derivatized with pentafluorobenzyl bromide (PFBBr) as PFB-CN and PFB-SCN, respectively. Cetyltrimethylammonium bromide (CTAB) was employed both as a phase transfer catalyst and a protein precipitant in the sample pretreatment, which facilitates the separation of the organic and aqueous phases, and greatly simplifies the pretreatment procedures to achieve simultaneous and rapid determination of cyanide and thiocyanate. Under the optimized conditions, the limits of detection (LODs) of cyanide and thiocyanate in milk were 0.006 mg/kg and 0.015 mg/kg, and the spiked recoveries ranged from 90.1% to 98.2% and from 91.8% to 98.9% with relative standard deviations (RSDs) less than 18.9% and 15.2%, respectively. The proposed method was validated as a simple, fast and highly sensitive method for the determination of cyanide and thiocyanate in milk.

CAS / MDL: 57-09-0 1643-19-2
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JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS · 2022 · IF 3.571

A sensitive and accurate GC–MS method for analyzing microbial metabolites short chain fatty acids and their hydroxylated derivatives in newborn fecal samples

Fangbo Xia,Lishan Guo,Peng Cui,Qian Xu,Junda Huang,Hongwei Zhou,Wei Shen

Short chain fatty acids (SCFAs), crucial intestinal bacterial metabolites , have been widely accepted as potential diagnostic markers in neonatal medicine. Nevertheless, it is still a great challenge to accurately quantify SCFAs in newborn fecal samples due to the huge variation of water content, limited commercial isotope-labeled internal standards and poor sensitivity. In this study, Na 2 CO 3 solution (50 μg/mL) was applied to convert the free SCFAs to SCFA sodium salts, which could prevent the loss of violate SCFAs during lyophilization process. Furthermore, N-methylbenzylamine- d 0 / d 3 was applied as the chemical derivatization regent to enhance the sensitivity and accuracy. Based on this method, the SCFA contents in meconium and neonatal fecal samples were analyzed to illustrate the change of SCFAs during the gut microbiome development. Chemical derivatization based on N-methylbenzylamine- d 0 / d 3 could not only significantly promote the sensitivity (323–1280 folds compared to free SCFAs) by promoting the ionization efficiency, but also provide one-to-one isotope internal standards. Moreover, 7 SCFAs, including acetic acid ( 2 ), n-butyric acid ( 4 ), isobutyric acid ( 5 ), 2-hydroxybutyric acid ( 11 ), 2-hydroxy-3-methylbutyric acid ( 13 ), 3-hydroxybutyric acid ( 14 ), 2-hydroxy-2-methylbutyric acid ( 17 ) were found to be significantly increased in neonatal fecal samples compared to the meconium fecal samples. All these results proved that this method could be applied for SCFA analysis in newborn fecal samples with perfect accuracy and sensitivity.

CAS / MDL: 148893-10-1 121-44-8
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ANALYTICA CHIMICA ACTA · 2022 · IF 6.911

New insights on the analysis of phytosterols in pollen and anther wall of tree peony (Paeonia ostii ‘Fengdan’) revealed by GC-MS/MS

Shanshan Sun,Shujuan Wang,Shanshan Li,Liping Wei,Xiaohan Wang,Yizhou Wang,Bing Li,Yang Hu,Liangsheng Wang

Phytosterols exhibit a wide range of pharmacological activities and have no side-effects, which have attracted more and more attention. In this study, two pre-treatment methods (alkaline hydrolysis and acid-alkali hydrolysis) were performed in parallel for the first time to investigate the effects on phytosterol analysis. The aim is to develop an analytical method for phytosterols in pollen and anther wall of tree peony ( Paeonia ostii ‘Fengdan’) by gas chromatography-mass spectrometry. The result indicated that the contents of phytosterols in pollen (3390.02 mg/100 g DW) and anther wall (929.70 mg/100 g DW) of P. ostii ‘Fengdan’ were relatively high. Meanwhile, eleven phytosterols were identified, among which five phytosterols were first identified in tree peony pollen. Moreover, the effects of wall breaking and different developmental stages on phytosterol contents of pollen and anther wall of P. ostii ‘Fengdan’ were also discussed. The result showed that wall breaking was beneficial to sterol detection of pollen, but not necessary for anther wall. For the best harvest time, the stage of S2 had the highest content of phytosterols. In conclusion, this study successfully establishes an analytical method for phytosterols by gas chromatography-mass spectrometry, and lays a foundation for the development and utilization of pollen and anther wall of P. ostii ‘Fengdan’ in functional foods and pharmaceutical industry .

CAS / MDL: 64-17-5
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