Scientific Reports
·
2020
·Vol. 10
·期 1
·1-11
·
IF 3.998
Zhou You,Qin De Qiang,Zhang Pei Wen,Chen Xiao Tian,Liu Ben Ju,Cheng Dong Mei,Zhang Zhi Xiang
Azadirachtin exhibits excellent bioactivities against several hundred arthropods. However, current knowlege of its biochemical effect on B . dorsalis larvae is not deep enough. In this study, integrated LC-MS and GC-MS-based untargeted metabolomics were used to analyze the changes of endogenous metabolites and the biochemical effects of azadirachtin on B . dorsalis larvae. Azadirachtin has excellent bioactivities against B . dorsalis larvae in this study, leading to a longer developmental duration, lower survival rate, and low pupa weight. The effect of azadirachtin was investigated on a total of 22 and 13 differentially abundant metabolites in the LC–MS and GC–MS-based metabolomics results, are selected respectively. Pathway analysis indicated that 14 differentially enriched metabolic pathways, including seven influential pathways, are worthy of attention. Further integrated key metabolic pathway analysis showed that histidine metabolism, d -glutamine and d -glutamate metabolism, biotin metabolism, ascorbate and aldarate metabolism, pentose and glucuronate interconversions, and alanine, aspartate and glutamate metabolism in B . dorsalis larvae are significantly relevant pathways affected by azadirachtin. Although extrapolating the bioactivity results in this study to the practical project of B . dorsalis pest management in the field has limitations, it was found that azadirachtin has a significant effect on the primary metabolism of B . dorsalis larvae.
研究领域:
昆虫学
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代谢组学
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植物化学
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DOI
PubMed
高影响因子
JOURNAL OF FOOD QUALITY
·
2018
·
IF 0.841
Chenggang Cai,Yibin Ying,Pinggu Wu,Jun Tang,Liyuan Wang,Tan Ying
A detection method for 3 kinds of phenolic compounds of endocrine disruptors (4-nonylphenol, 4-octylphenol, and bisphenol A) in infant milk powders by solid-phase extraction combined GC-MS was established. This method can effectively remove interference materials from infant milk powder products. The limit of detection and the limit of quantitation of the 3 kinds of compounds were 0.8 μg/kg and 2.5 μg/kg, respectively, with the relative standard deviations of 4.3–12.1%. The recovery rates of 4-nonylphenol, 4-octylphenol, and bisphenol A were of 68.5–89.2%, 64.8–87.0%, and 97.8–110.0%, respectively. Concentrations of the bisphenol A were from 0.8 to 14 μg/kg in 35 samples of the total 60 samples. And the other two compounds of 4-nonylphenol and 4-octylphenol were not found in all the 60 samples tested. The established method is simple, rapid, accurate, and highly sensitive, and the pollution of endocrine disruptors in some infant milk powders products was detectable in trace amounts.
研究领域:
分析化学
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环境科学
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食品科学
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DOI
高影响因子
Journal of Food Measurement and Characterization
·
2019
·Vol. 14
·期 1
·535-547
·
IF 1.415
Al-Dalali Sam,Zheng Fuping,Sun Baoguo,Chen Feng,Wang Peng,Wang Wenping
Zhengrong vinegar is one of the renowned popular condiments in China, which has been consumed around Hebei province for about 136 years. Its different processing steps are considered as important and critical steps that are responsible for the generation of representative flavors besides the acetic acid. An HS-SPME coupled with GC–MS method was used to evaluate the changes of the volatiles of the vinegar that were generated during the different processing steps including before adding salt (BAS), after adding salt (AAS), after filtration (AF) and final product (FP). In addition, aroma-active volatiles of the final vinegar product were characterized by GC-O coupled with detection frequency technique (modified frequency, MF%) that is a combination of aroma intensity and aroma frequency values that can be used to improve the description of a reliable data from GC-O. Among the 42 detected volatiles, 38 of them were positively identified by their corresponding authentic compounds. Besides, 24 volatiles were recognized as aroma-active volatiles. On the other hand, the content of individual volatile groups was decreased along with the continuation of the fermentation process from the BAS step to FP step, except the aldehydes group that displayed a slight increase. Of which, 2-pentylfuran and ethyl heptanoate disappeared in the AF and FP samples. The main contributors to the Zhengrong aroma profile that had MF (%) > 80 included isovaleric acid, 2-acetoxy-3-butanone, hexanoic acid, ethyl hexanoate, 3-(methylthio)propyl acetate, decanal and 2-phenyl-2-butenal, while the volatile compounds that had a middle MF in a range between 70 and 80 were 2-methylbutanoic acid, tetramethylpyrazine, nonanal, 1,2-dimethoxybenzene, 4-ethylphenol, ethyl benzoate, ethyl benzeneacetate, 2-phenylethyl acetate and 4-ethylguaiacol.
研究领域:
食品科学
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分析化学
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风味化学
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DOI
高影响因子
Food Chemistry-X
·
2024
·
IF 6.5
Dai-xin Yu,Cheng Qu,Jia-yi Xu,Jia-yu Lu,Di-di Wu,Qi-nan Wu
Perillae Folium (PF) is a well-known food and herb containing different chemotypes, which affect its quality. Herein, a method was proposed to classify and quantify PF chemotypes using gas chromatography–mass spectrometry (GC–MS) and Fourier transform-near infrared spectroscopy (FT-NIR). GC–MS results revealed that PF contains several chemotypes, including perilla ketone (PK) type, α -asarone (PP-as) type, and dillapiole (PP-dm) type, with the PK type being the predominant chemotype. Based on FT-NIR data, different chemotypes were accurately classified. The random forest algorithm achieved >90 % accuracy in chemotype classification. Furthermore, the main components of perilla ketone and isoegomaketone in PF were successfully quantified using partial least squares regression models, with prediction to deviation values of 3.76 and 2.59, respectively. This method provides valuable insights and references for the quality supervision of PF and other foods.
研究领域:
药学
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分析化学
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食品科学
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产品关联
DOI
PubMed
高影响因子
RAPID COMMUNICATIONS IN MASS SPECTROMETRY
·
2026
·Vol. 40
·期 21
·e70164
·
IF 1.8
Jiale Fang,Zhijun Yuan,Yunfei Zhao,Lingling Teng,Lingxia An,Kezhi Jiang
Rationale Volatile methylcyclosiloxanes, particularly octamethylcyclotetrasiloxane (D4), decamethylcyclopentasiloxane (D5), and dodecamethylcyclohexasiloxane (D6), are commonly found in the environment and have gained significant attention as emerging contaminants. However, their accurate quantification at trace levels can be challenging because of complex environmental matrices and background interferences. Method VMCSs were extracted from water using vortex-assisted small-scale liquid–liquid extraction (LLE) with n -hexane as the extractant. Both the VMCS standards and the extracts were analyzed using gas chromatography–mass spectrometry (GC–MS). The mechanistic fragmentation of D4, D5, and D6 in EI-MS was studied through 13 C-labeling experiments. Results In EI-MS, the molecular ion readily eliminates a methyl radical to form the ion [M–CH 3 ] + for D4, D5, and D6. For D4, the ion [M–CH 3 ] + subsequently loses CH 4 , while the ions corresponding to D5 and D6 tend to undergo cyclization and methyl-shift, resulting in the characteristic ions of (CH 3 ) 3 Si + ( m/z 73) and [M–CH 3 –CH 4 ] + . These characteristic ions were used as the quantitative or qualitative indicators in the developed GC–MS method for determining D4, D5, and D6, achieving limits of quantification of 0.72–0.99 ng/mL. Efficient extraction of VMCSs in water was achieved within 12 min at room temperature, using only 0.40 mL of n -hexane for each extraction operation. Isotope-spiked experiments demonstrated satisfactory recoveries: 107.9% ± 8.0% for D4, 97.2% ± 5.8% for D5, and 84.7% ± 5.6% for D6. Analysis of real water samples revealed concentrations of D4, D5, and D6 in surface water ranging from 0.05 to 0.09 ng/mL, 0.07 to 0.27 ng/mL, and 0.07 to 0.25 ng/mL, respectively. Conclusion We developed a convenient and accurate method for the determination of trace level of D4, D5, and D6 in water, which addresses the limitations of traditional LLME, and offers a simple and environmentally friendly detection protocol for quantifying trace VMCSs in water.
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产品关联
DOI
高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
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2026
·
IF 6.7
Haiguang Tan,Lexuan Yang,Yunzhe Li,Xin Zhang,Tao Yang,Zhiguo Huang,Huan Zhang,Lijuan Ma,Lin Yuan,Liping Du
Abstract Quantitative GC-MS analysis of nonvolatile metabolites conventionally requires multisample external calibration, imposing substantial preparative overhead in high-throughput settings. Here, the integration of silylation derivatization with an isotopologue-based one-sample calibration curve (OSCC) on GC-MS platforms is reported. Trimethylsilylation introduces silicon atoms with invariant natural isotope abundances (28Si:29Si:30Si = 92.23%:4.68%:3.09%), enabling multiple calibration anchors from a single standard injection. Two strategies were developed: OSCC with multiple isotopologue selected ion monitoring (OSCC-MISM) on GC-MS, serving as a compositional-verification precursor, and OSCC with multiple isotopologue reaction monitoring (OSCC-MIRM) on GC-MS/MS, recommended for real-sample quantification. Both were validated against multisample calibration curve (MSCC)-SIM and MSCC-MRM across 12 nonvolatile organic acids, achieving R2 > 0.99, RSDs below 16.1%, and recoveries of 80.5–111.2%. In 15 commercial Baijiu samples, Bland–Altman analysis of 180 paired measurements gave a pooled bias of +0.8%, with 95% limits of agreement within the prespecified ±15% margin, supporting equivalence of OSCC-MIRM with MSCC-MRM.
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DOI
高影响因子
Algal Research-Biomass Biofuels and Bioproducts
·
2026
·
IF 5
Jikang Sui,Jinku Zhang,Xiangning Lu,Kangning Wang,Mingkai Bai,Adewale Olusegun Obadina,Shiyang Li,Guangxin Feng,Haohao Wu
Microalgae are a sustainable and nutrient-dense food source, but their strong off-flavors significantly limit broader consumption. This study evaluates the effectiveness of a laccase-catechin mediator in improving the odor profiles of Spirulina, Chlorella, and Chlamydomonas reinhardtii . Mediators were applied ex situ (pre-formed) or in situ (generated within the suspension). Ex-situ mediators, optimized at 40 °C for 2 h, achieved better deodorization compared to in-situ mediators, with optimal catechin dosages of 28, 16, and 8 mg/g biomass for Spirulina, Chlorella, and C. reinhardtii , respectively. Sensory evaluation showed reduced grassy, earthy, and fatty odors, and enhanced floral and fruity notes, with the ex-situ approach leading to higher overall acceptability. GC–MS analysis confirmed that mediators decreased the diversity and abundance of key odor-active volatiles in three microalgae species. Laccase-catalyzed quinone-type mediators effectively neutralize undesirable compounds, offering a promising enzymatic strategy for improving the sensory quality of microalgae-based foods, especially for sustainable food applications.
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DOI
高影响因子
FLAVOUR AND FRAGRANCE JOURNAL
·
2026
·
IF 2.5
Wenjie Ye,Hongwei Lu,Han Chen,Naidong Chen,Li Zhang
Jin'an crispy peach is a famous geographical indication product widely grown in Lu'an City. In this study, four representative cultivars, including ‘Chunxue’, ‘Nanguohong’, ‘Chunmi’, and ‘Huangjinmi’, were selected to analyse their volatile compounds, and the headspace solid-phase microextraction (HS-SPME) method was employed. Fifty-eight volatile compounds were identified by gas chromatography–mass spectrometry (GC–MS), with 31, 24, 24, and 16 compounds detected in ‘Nanguohong’, ‘Chunxue’, ‘Chunmi’ and ‘Huangjinmi’, respectively. Principal component analysis (PCA) revealed strong correlations among five major compounds ( E )-2-hexenal, benzaldehyde, nonadienol, heptanoic acid and nonanoic acid in different cultivars. Odour activity value (OAV) analysis showed that 2-trans-4-trans-decadienal and β-damascenone exhibited the highest OAVs and together contributed to the primary flavour of the “Nanguohong” cultivar. In the “Chunxue” cultivar, ( E )-2-nonenal and 2,4-nonadien-1-al contributed to its grassy and green vegetable-like aromas. In the “Chunmi” and “Huangjinmi” cultivars, 2-ethyl-1-hexanol and phenylethyl alcohol were the predominant odour-active compounds and imparted a sweet aroma to the peaches. This research not only enhances our understanding of the flavour characteristics of Jin'an crispy peach but also lays a foundation for its further development and utilisation.
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DOI
高影响因子
CHINESE JOURNAL OF ANALYTICAL CHEMISTRY
·
2024
·
IF 1.2
Qinghua YANG,Zhimin HE,Yilan SHI,Jinxin WANG,Qianying QIU,Honghai DENG,Wenhui PING
In this study, a new technique was developed which combines magnetic solid phase extraction (MSPE) and gas chromatography-mass spectrometer (GC–MS), for the analysis of 17 phthalate esters (PAEs). First, a composite of iron (used as the magnetic part) and graphene oxide (GO) was synthesized for application in MSPE. Scanning electron microscop, X-ray diffraction and infrared spectroscopy were used to characterize this material. Finally, magnetic graphene oxide (Fe₃O₄@GO) was used to extract PAEs from water samples. Various parameters relevant to the extraction were optimized, such as the amount of adsorbent employed, adsorption time, luent solvent types and volume, and sample pH. These optimum conditions resulted in calibration curves for the 17 PAEs, showing linear relationships between concentration and response at concentrations of 25 to 2500 µg L⁻¹ with correlation coefficients from 0.9983 to 1.000. Limit of detection and limit of quantitationfor the PAEs ranged from 0.030 to 0.12 µg L⁻¹ and 0.10–0.40 µg L⁻¹, respectively. The recovery rates for these compounds in spiked samples were ranging from 81.5% to 109% with relative standard deviation less than 6.12%. The effectiveness of method was further demonstrated by its use in detecting 17 PAEs in samples of drinking and bottled water. Compounds such as DEP, DIBP, DBP, and DCHP were identified. These results thus highlight the suitability of Fe₃O₄@GO as an adsorbent for concentrating and purifying PAEs in water samples.
研究领域:
环境科学
·
分析化学
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DOI
高影响因子
Journal of Agriculture and Food Research
·
2025
·
IF 6.2
Yuxiang Zhang,Feilong Chen,Pandi Xu,Hao Ren,Hong Guo,Yahong Yuan,Jianping Wei,Tianli Yue
This study investigated the role of non- Saccharomyces yeasts in modulating the aroma complexity of pomegranate wine, with a particular focus on sequential fermentation with Saccharomyces cerevisiae . Torulaspora quercuum X24-4 and Torulaspora delbrueckii X28-10 were employed in both pure and sequential fermentations. T. delbrueckii exhibited robust fermentative performance. Gas chromatography-ion mobility spectrometry (GC-IMS) and gas chromatography-mass spectrometry (GC-MS) identified a total of 62 and 80 volatile compounds across all samples, respectively, with esters as the predominant class. Key differential volatiles across the different fermentation strategies, including ethyl hexanoate and 3-methyl-1-butanol, were identified by partial least squares discriminant analysis (PLS-DA) in both GC-MS and GC-IMS analyses. In addition, several high-odor-activity-value (OAV) compounds, including ethyl octanoate and β -damascenone, reached their highest levels in wines produced by sequential inoculation of T. delbrueckii and S. cerevisiae ( Td - Sc ). Sensory evaluation confirmed that wines produced with Td - Sc achieved the highest fruity and floral scores, consistent with the volatile profiles. Partial least squares regression (PLSR) analyses further revealed strong correlations between ester/alcohol accumulation and floral aroma perception. In conclusion, sequential fermentation with T. delbrueckii and S. cerevisiae synergistically enhanced the volatile composition and sensory quality of pomegranate wine, demonstrating the practical potential of mixed-culture fermentations for developing distinctive and aroma-rich pomegranate beverages.
研究领域:
食品科学
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发酵工程
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代谢组学
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分析化学
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感官科学
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应用微生物学
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风味化学
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产品关联
DOI
高影响因子
MOLECULES
·
2025
·Vol. 30
·期 7
·1404
·
IF 4.6
Qingling Xie,Hanwen Yuan,Shiqi Liu,Ling Liang,Jiangyi Luo,Mengyun Wang,Bin Li,Wei Wang
Forsythia suspensais a crucial plant resource due to its considerable edible and medicinal value. Its fruit, named Forsythiae Fructus (FF), has been widely used in Traditional Chinese Medicine (TCM). According to the fruit maturity stage, FF is categorized into GFF (green Forsythiae Fructus) and RFF (ripe Forsythiae Fructus). In this study, metabolomics based on UPLC-Q/Orbitrap MS and HS-GC-MS, combined with chemometric methods, was employed to differentiate GFF from RFF and identify potential differential metabolites. Additionally, the mid-level data fusion method was employed to integrate data from both techniques, and the performance of the OPLS-DA model (R2Y = 0.986, Q2= 0.974) surpassed that of the single HS-GC-MS technique (R2Y = 0.968, Q2= 0.930). Moreover, using the criteria of VIP > 1 andp-value < 0.05, 30 differential compounds were selected via mid-level data fusion, compared to the initial 61 differential compounds identified by single techniques, effectively reducing data noise and eliminating irrelevant variables. This study provides a comprehensive analysis of volatile and non-volatile compounds in FF, offering valuable insights into quality control and clinical differentiation between GFF and RFF. The findings highlight the potential use of multi-technology metabolomics in the quality control of TCM and offer new perspectives for future research on medicinal plants.
研究领域:
中药学
·
分析化学
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DOI
PubMed
高影响因子
Current Analytical Chemistry
·
2024
·Vol. 20
·期 9
·629-636
·
IF 1.7
Yangzhou Xie,Yi Yang,Yu Tian,Zhimin Liu,Zhigang Xu,Wei Jiang,Zhihua Liu,Xiaoxi Si
Background: Terpenoids are essential aroma substances in teas, and their concentration brings various characteristics to different teas. Therefore, developing a simple and stable method is necessary for distinguishing tea categories. Objective: In previous studies, more attention was paid to non-chiral isomers of terpenes due to the challenges of separating chiral isomers. So, this paper aims to present a method for effectively separating seven terpenoid substances, including chiral isomers and non-chiral isomers, to facilitate the classification and identification of teas. Methods: A method utilizing headspace solid-phase microextraction coupled with gas chromatography- mass spectrometry was used to isolate and analyze 7 terpenoid compounds. After optimized conditions, the BGB-176 chiral column and the PDMS/DVB fiber were selected for subsequent analysis. Results: This method has a good linear range of 0.1-200 mg/L, and its linear correlation coefficients are between 0.9974 and 0.9994, and the limit of detection and the limit of quantification is 0.02–0.03 and 0.06–0.09 mg/L, respectively. Only five terpenoid substances were detected in a total of 15 tea samples. Furthermore, In the detection of carvon and α-ionone optical isomers, the S isomer was mainly detected. Conclusions: An effective approach was developed to separate and analyze 7 terpenoid compounds in natural and synthetic teas. Meanwhile, 15 tea samples can be identified and classified using principal component analysis.
研究领域:
分析化学
·
食品科学
·
植物化学
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DOI
高影响因子
危险品化学品经营许可证（带存储）