Food Chemistry-X
·
2025
·
IF 8.2
Haining Guan,Wenxiu Zhang,Yanli Tian,Siqi Leng,Shifa Zhao,Dengyong Liu,Xiaoqin Diao
The research utilized a combination of gas chromatography–mass spectrometry (GC–MS), gas chromatography-ion mobility spectrometry (GC-IMS), and E -nose to examine the impact of fat addition on the aroma profile of chicken white soup. The concentration of volatile flavor compounds in the white soup significantly increased with rising fat addition. A total of 105 volatile compounds were detected in the soup through GC–MS, and 72 by GC-IMS. Moreover, adding 2 % fat could effectively enhance the aroma of the chicken soup, and the soup exhibited the highest concentration of free amino acids (211.29 μg/mL) and nucleotides (27.55 mg/100 mL). However, the taste activity value of 5′-nucleotides was below 1, suggesting that fat addition had minimal impact on the umami taste of white soup. The study demonstrates that appropriate fat supplementation can enhance the aroma of chicken white soup and lays a theoretical groundwork for the advancement of premium-quality chicken white soup with rich aroma.
研究领域:
食品科学
·
分析化学
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PubMed
高影响因子
INDUSTRIAL CROPS AND PRODUCTS
·
2024
·
IF 5.6
You Zhou,De Qiang Qin,Min Xing Zhang,Miao Sun,Lu Sheng Wan,Jing Sheng Chen
Metabolomics approaches are becoming a powerful analytical technique for exploring bioactive molecules in essential oils. The prevalence of imported red fire ants affected the environment, biodiversity of wildlife, infrastructure, and hypersensitivity reactions of people. Due to public health and environmental issues, essential oils as environmentally friendly alternatives to synthetic chemical insecticides in fire ant management have attracted great attention. However, there is a lack of an objective strategy suitable for identifying bioactive molecules that can guarantee the quality of essential oil biopesticides . Therefore, a metabolomics approach with four main steps, including bioassays, GC MS analysis of chemical constitution, construction of multivariate OPLS and univariate Pearson correlation statistical models, and feature selection, was proposed in this study to verify its potential to find bioactive molecules in essential oils that are effective against red imported fire ants. The fumigation mortalities of 20 commercial essential oils ranged from 0 to 100%. A total of 296 mass features were deconvoluted, and 121 of them were identified. Then, 52 potential bioactive molecules were selected by both VIP > 1.0 and P < 0.05. Finally, 6 of these potential bioactive molecules, (+)− 2-bornanone,.beta.-pinene, eucalyptol , isoborneol, linalool , and L-.alpha.-terpineol, have shown good fumigation toxicity against minor and/or major red imported fire ant workers. This study has, in certain aspects, supported the feasibility of this metabolomics approach. It could be helpful for natural molecules to be alternatives to synthetic chemical insecticides, leading to more environmentally friendly and sustainable management policies for red imported fire ants.
研究领域:
昆虫学
·
植物化学
·
环境科学
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高影响因子
FOOD CHEMISTRY
·
2024
·
IF 8.5
Jingjing Liu,Yin Wan,Yanru Chen,Haowei Fan,Mengxiang Li,Qihai Jiang,Guiming Fu
Simultaneous inoculation of non- Saccharomyces cerevisiae during the alcoholic fermentation process has been found to be an effective strategy for enhancing wine flavor. This study aimed to investigate the effect of Torulaspora delbrueckii NCUF305.2 on the flavor of navel orange original brandy (NOOB) using E–nose combined with HS–SPME–GC–MS. The results showed a significant increase ( p < 0.05) in the sensitivity of NOOB to W5C, W3C, W1S, and W3S sensors by mixed fermentation (MF). Esters in NOOB increased by 4.13%, while higher alcohols increased by 21.93% ( p < 0.001), terpenes and others increased by 52.07% and 40.99% ( p < 0.01), respectively. Notably, several important volatile compounds with relative odor activity values above 10 showed an increase. Sensory analysis revealed that a more pronounced citrus-like flavor and higher overall appearance scores were found in MF than in pure fermentation (PF). These findings offer valuable theoretical guidance for enhancing the quality of fruit brandies.
研究领域:
食品科学
·
微生物学
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PubMed
高影响因子
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
·
2019
·Vol. 20
·期 16
·3875
·
IF 4.183
Meng Pan,Qicheng Lei,Ning Zang,Hong Zhang
The discovery of medicinal plants is crucial for drug development.Eucalyptus globulusleaves are used as a traditional medicine in many areas of world due to herbicidal and insecticidal activity. While natural products are difficult to be separated and activity assayed, a new approach is needed to predict the active ingredients therein. In this study, a new method for screening active compounds extracted fromE. globulusleaves was developed by GC-MS/MS and UPLC-MS/MS combined with molecular docking technology. Predicted compounds with high activity were proposed. Firstly, 35 volatile compounds and 34 aqueous extracted compounds were extracted fromE. globulusleaves, and identified by GC-MS/MS and UPLC-MS/MS. The herbicidal receptor (1BX9) was then docked with the identified compounds by docking software, evaluated by docking models and seven scoring functions. The results showed that gallic acid had a strong inhibitory activity of 1BX9, which was speculated to be the main reason for the inhibitory effect ofE. globulusleaves. Finally, allelopathic tests of gallic acid, citric acid, and isopulegol were carried out on grass seeds to verify its inhibitory activity against herbicide receptor 1BX9. The results show that the method can screen compounds with specific activity from a complex system of medicinal plants, which is very important for the screening of new active ingredients, confirmation of new medicinal ingredients, and the in-depth development of animal and plant medicines.Keywords:Eucalyptus globulus;GC-MS/MS;UPLC-MS/MS;molecular docking;allelopathic test
研究领域:
植物化学
·
药物开发
·
生物信息学
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DOI
高影响因子
FOOD CHEMISTRY
·
2026
·
IF 10.4
Wenshun Hu,Qizi Xu,Yaling Zhang,Chaojun Deng,Huijuan Wang,Weilin Wei,Jimou Jiang,Xiuping Chen,Faxing Chen,Shaoquan Zheng
Terpenoids and esters were the dominant volatiles in the mature longan fruits. • Characteristic aroma compounds were identified and validated with authentic standards. • Key compounds responsible for fresh-green, floral, and winy aromas were screened. Longan fruit is renowned for its sweet aromatic flavor and nutrition; however, the essence of its aroma formation remains unclear. This study employed three cultivars with distinct aroma profiles—‘Shixia’ (SX), ‘Lidongben’ (LDB), and ‘Xiangcui’ (XC)—for sensory evaluation and volatile profiling throughout fruit development. Terpenoids and esters rapidly accumulated and dominated during fruit expansion. Integrating multivariate analysis, odor activity value (OAV) and GC–olfactometry (GC–O), this study first identified 19 characteristic aroma compounds and elucidated their biosynthetic pathways. Seven key compounds defining aroma types were distinguished: ( E )-β-ocimene as a common background aroma contributed to fresh green scent of SX, linalool and methyl salicylate provided floral notes in LDB, while four ethyl esters imparted a winy aroma to XC. Molecular docking revealed spontaneous binding (−2.57 to −5.35 kcal/mol) of all key compounds to olfactory receptors. These findings clarify the chemical basis underlying aroma diversity in longan and support flavor quality improvement.
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DOI
高影响因子
MICROCHEMICAL JOURNAL
·
2026
·
IF 5.2
Rongqiao Chen,Wei Chen,Ming Liang,Junpeng Hu,Ruifang Fan,Guoshan He,Yanping Xian
Liquid crystal monomers (LCMs) are emerging environmental contaminants with bioaccumulation potential and health risks. Chinese herbal medicines, susceptible to LCM uptake during cultivation or processing, represent a potential human exposure route. However, reliable methods for analyzing LCMs in these complex matrices are lacking. Herein, a modified QuEChERS method coupled with gas chromatography–tandem mass spectrometry (GC–MS) was developed for the determination of 10 LCMs in herbal medicines. Samples were extracted with dichloromethane and cleaned up using mixed sorbents (N-propyl ethylenediamine and octadecylsilane). The method showed excellent linearity (2.0–200.0 μg/L, r 2 > 0.999), with limits of detection and quantification of 0.5–2.0 μg/kg and 1.0–5.0 μg/kg, respectively. Mean recoveries across three spike levels in different matrices ranged from 75.0% to 112.9%, with relative standard deviations of 2.0–8.5% ( n = 6). In the analysis of 26 real herbal medicines samples, LCMs were detected in mulberry leaf and Salvia miltiorrhiza , indicating a detection frequency of 7.7% and potential contamination in herbal medicines. This reliable and practical method is suitable for routine monitoring of LCM residues in various herbal products.
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高影响因子
FOOD CHEMISTRY
·
2026
·
IF 10.4
Chenxi Gao,Weiwei Wu,Zhiqiang Zheng,Zhihui Wang,Yao Yang,Biyun He,Yan Huang,Shixian Cao,Shuntian Yu,Zhidan Chen,Weijiang Sun
Pleasantness-related aroma compounds in Purple-Leaf White Tea were identified by GC-MS and sensory evaluation. • Six key volatiles were identified as major contributors to aroma pleasantness in Purple-Leaf White Tea. • Molecular docking predicted favorable interactions between key aroma compounds and ADORA2A. • Multi-compound aroma mixtures showed greater pleasantness than individual aroma compounds. • This study provides a hypothesis-generating framework linking aroma composition to pleasantness perception. Pleasant aroma is a defining sensory trait of Purple-Leaf White Tea (PWT), strongly influencing consumer preference, yet its key chemical contributors remain poorly understood. Using GC–MS combined with comprehensive sensory evaluation, six key aroma compounds—cedrol, β-ionone, geranylacetone, α-terpineol, β-cyclocitral, and (−)-terpinen-4-ol—were identified as major contributors to perceived pleasantness. Sensory analysis revealed significant differences among individual compounds, while their mixture exhibited enhanced pleasantness compared with single compounds. Molecular docking predicted that individual compounds bind to ADORA2A (−6.5 to −5.2 kcal/mol), mainly via hydrophobic interactions. The six-compound mixture showed a markedly lower predicted binding energy (−21.86 kcal/mol). Omission tests indicated that cedrol and α-terpineol contributed substantially to mixture pleasantness, whereas geranylacetone was associated with reduced pleasantness. These findings provide computational support for potential interactions between key aroma compounds and ADORA2A and offer a hypothesis-generating framework for understanding aroma-associated pleasantness in PWT.
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高影响因子
Foods
·
2025
·Vol. 14
·期 22
·3946
·
IF 5.1
Zhi Wang,Yi Yang,Dongxue Zhang,Jiashu Li,Longsheng Zhang,Yan Zhao,Jinliang Zhao,Junling Zhang,Jikui Wu
Tilapia is a cornerstone species in global aquaculture, yet the impact of saline-alkaline adaptive breeding on its flavor-related volatile organic compounds (VOCs) remains unclear. Herein, we compared VOCs in freshwater-cultured tilapia (FW) and 7th-generation tilapia subjected to long-term selective breeding for saline-alkaline tolerance (SAWG7) using an electronic nose (E-nose), gas chromatography-ion mobility spectrometry (GC-IMS), and headspace solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS). The aim was to identify flavor differentiation and assess the effect of saline-alkaline acclimation. E-nose analysis revealed distinct odor profiles, with SAWG7showing higher sensor responses for aldehydes, ketones, and alcohols. GC-IMS detected 32 VOCs, highlighting significant increases in alcohols, aldehydes, and heterocyclics in SAWG7. GC-MS identified 43 VOCs, with orthogonal partial least-squares discriminant analysis (OPLS-DA) confirming 18 discriminant compounds, including elevated ketones (2-undecanone), aldehydes ((E)-2-octenal), alcohols (2,7-Octadien-1-ol), and furans (2-ethyl-Furan) in SAWG7, linked to lipid oxidation under saline-alkaline stress. These findings demonstrate that long-term saline-alkaline breeding achieves a potentially more diverse VOC profile in tilapia by altering its volatile profiles. The study provides insights for optimizing aquaculture practices to improve product quality in marginal environments.
研究领域:
水产养殖
·
食品化学
·
分析化学
·
风味科学
·
环境胁迫生理学
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PubMed
高影响因子
ANALYTICAL LETTERS
·
2025
·
IF 1.8
Lin Yang,Guoqing Zou,Fengfeng Xiu,Dandan Zhao,Jianliang Fei,Jun Xie
Polycyclic aromatic hydrocarbons (PAHs) in soil pose significant analytical challenges due to matrix complexity, low concentrations, and co-extracted interferents. Conventional gas chromatography-mass spectrometry (GC-MS) methods suffer from limited sensitivity and selectivity, particularly for high-molecular-weight PAHs with stable molecular ions that resist fragmentation. Here, we present a novel gas chromatography-tandem mass spectrometry (GC-MS/MS) method using pseudo-multiple reaction monitoring (PMRM) coupled with an optimized extraction protocol for precise quantification of 16 USEPA priority PAHs in soil. By exploiting the inherent stability of PAH molecular ions ([M]+), PMRM achieved 3.1–4.8 times lower detection limits than traditional selected ion monitoring (SIM) while resolving critical isomer pairs (e.g., phenanthrene/anthracene, R > 1.5) through time-segmented collision energy (CE) optimization (5–25 eV). A streamlined extraction using acetonitrile modified with anhydrous Na2SO4 eliminated labor-intensive cleanup, achieving >85% recovery across a wide logKow range (3.37–6.50). The PMRM strategy enhanced signal-to-noise ratios by collisional focusing and differential interference fragmentation, enabling direct injection of crude extracts without compromising sensitivity. This approach addresses long-standing limitations in PAH analysis, offering a robust, high-throughput solution for environmental monitoring and regulatory compliance, with potential applications to other structurally stable pollutants.
研究领域:
环境化学
·
分析化学
·
质谱学
·
环境科学
·
色谱学
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高影响因子
RSC Advances
·
2023
·Vol. 13
·期 4
·2635-2648
·
IF 3.9
Ying Li,Yingxin Tian,Qixue Wang,Xinyi Gu,Long Chen,Yiqun Jia,Shan Cao,Ting Zhang,Mingmei Zhou,Xiaojun Gou
Gynura segetum (Lour.) Merr. (GS), has been widely used in Chinese folk medicine and can promote circulation, relieve pain and remove stasis. In recent years, the hepatotoxicity caused by GS has been reported, however its mechanism is not fully elucidated. Metabolomic techniques are powerful means to explore the toxicological mechanism and therapeutic effects of traditional Chinese medicine. The purpose of this study was to establish a serum metabolomics method based on Gas Chromatography-Mass Spectrometry (GC-MS) to explore the hepatotoxicity mechanism of different exposure times and doses of GS in rats. Sprague Dawley (SD) rats were administered daily with distilled water, 7.5 g kg−1 GS, or 15 g kg−1 GS by intragastrical gavage for either 10 or 21 days. The methods adopted included enzyme-linked immunosorbent assay (ELISA), Hematoxylin and Eosin (H&E) staining and GC-MS-based serum metabolomics. Serum biochemistry analysis showed that the levels of alanine aminotransferase (ALT), aspartate aminotransferase (AST), triglycerides (TG), total bilirubin (TBIL) and total bile acid (TBA) significantly (P < 0.05) increased while the levels of albumin (ALB) and high-density lipoprotein (HDL) significantly (P < 0.05) decreased in GS-treated groups, compared with the control group. Interestingly, the ALT, AST, TG and ALB levels changed in a time- and dose-dependent manner. The results of H&E staining showed the degree of liver damage after administration of GS gradually deepened with the extension of administration time and the increase of the dose. According to the results of metabolomics analysis, 26 differential metabolites were identified, which were involved in 8 metabolic pathways including phenylalanine metabolism, glyoxylic acid and dicarboxylic acid metabolism and so on. Meanwhile, the number of differential metabolites in different GS-treated groups was associated with GS exposure time and dose. Therefore, we concluded that GS might induce hepatotoxicity depending on the exposure time and dose.
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PubMed
高影响因子
MOLECULES
·
2022
·Vol. 27
·期 14
·4393
·
IF 4.927
Chao Li,Huiying Wan,Xinlong Wu,Jiaxin Yin,Limin Zhu,Hanjiang Chen,Xinbo Song,Lifeng Han,Wenzhi Yang,Heshui Yu,Zheng Li
Volatile organic compounds (VOCs) are the main chemical components ofSchizonepetae Spica(SS), which have positive effects on the quality evaluation of SS. In this study, HS-SPME-GC-MS (headspace solid-phase microextraction-gas chromatography-mass spectrometry) and HS-GC-IMS (headspace-gas chromatography-ion mobility spectrometry) were performed to characterize the VOCs of SS from six different regions. A total of 82 VOCs were identified. In addition, this work compared the suitability of two instruments to distinguish SS from different habitats. The regional classification using orthogonal partial least squares discriminant analysis (OPLS-DA) shows that the HS-GC-IMS method can classify samples better than the HS-SPME-GC-MS. This study provided a reference method for identification of the SS from different origins.Keywords:volatile organic compounds;Schizonepetae Spica;HS-SPME-GC-MS;HS-GC-IMS;OPLS-DA
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PubMed
高影响因子
MOLECULES
·
2022
·Vol. 27
·期 10
·3253
·
IF 4.927
Qian Zhang,Chukwunonso P. Okoli
A new solid-phase extraction (SPE) method for the extraction, enrichment, and analysis of eight polybrominated diphenyl ethers (PBDEs) in water was developed. The current approach involves using a cross-linked starch-based polymer as an extraction adsorbent and determining the PBDE analytes of interest using gas chromatography-mass spectrometry in negative chemical ionization mode (GC-NCI-MS). The starch-based polymer was synthesized by the reaction of soluble starch with 4,4′-methylene-bis-phenyldiisocyanate as a cross-linking agent in dry dimethylformamide. Various parameters impacting extraction efficiencies, such as adsorbent quantity, sample volumes, elution solvents and volumes, and methanol content, were carefully optimized. The 500 mg of starch-based polymer as an adsorbent used to extract 1000 mL of spiked water, presented high extraction recoveries of eight PBDEs. The linearity of the extraction process was investigated in the range of 1–200 ng L−1for BDE-28, 47, 99, 100, and 5–200 ng L−1for BDE-153, 154, 183, and 209, with coefficients of determination (r2) exceeding 0.990 for all PBDEs. The limits of detection (LODs) ranged from 0.06 to 1.42 ng L−1(S/N = 3) and the relative standard deviation values (RSD) were between 3.6 and 9.5 percent (n= 5) under optimum conditions. The method was successfully used to analyze river and lake water samples, where it exhibited acceptable recovery values of 71.3 to 104.2%. Considering the excellent analytical performance and comparative cost advantage, we recommend the developed starch-based SPE method for routine extraction and analysis of PBDEs in water media.Keywords:PBDEs;starch-based polyurethane polymer;SPE;GC-NCI-MS
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高影响因子
危险品化学品经营许可证（带存储）