PHARMACEUTICAL CHEMISTRY JOURNAL
·
2020
·Vol. 54
·期 2
·154-161
·
IF 0.538
Ying-Jiao Liu,Li-Juan Xie,Lan Xiao,Li-Min Gong,Ta-Si Liu,Nai-Hong Chen
Cinnamomum camphora Chvar. Borneol (CCCB) and Cinnamomum camphora Chvar. Cineol (CCCC) are two different chemical types of C. camphora . The clinical application of these chemical types of CC shows big differences, but sometimes they are confused because of the similarity of morphological features. To identify the two types of CC and to analyze the differences of compositions, their morphological characteristics were investigated by microscopic techniques and the chemical components were determined by GC-MS analysis and GC internal standard method. Distinguishing features of morphological characteristics were the shape, petiol, gland, and smell. Microscopic study of the transverse sections of leaves showed 13 – 15 columns xylem vessel in the leaves of CCCB, 11 – 13 columns xylem vessel, and more obvious and thicker cell walls of fiber cells in the leaves of CCCC. From this research, GC-MS analysis of essential oil of the leaves could provide mainly differential characteristics to distinguish between CCCB and CCCC. The total of 33 compounds were identified in the essential oil of CCCB leaves and the main component was d -borneol (55.11%), while d -borneol in CCCC leaves was not the main component and the amount of d -borneol might be related to the microstructure of gland. L(-)-camphor and d-borneol were quantitatively analyzed by GC with FID detector, using methyl salicylate as the internal standard. Each gram of the total essential oil contains 0.68 g of d -borneol in CCCB, and each gram of the total essential oil contains 0.150 and 0.015 g of L(-)-camphor in CCCB and CCCC, respectively, from Hunan province. Other habitats showed the same trend. This research was aimed to establish a method based on the microscopic, GC-MS, and GC techniques to identify and quantify CCCB and CCCC compositions, for providing scientific data to ensure with accuracy the origin of CCCB and CCCC plant material.
研究领域:
植物学
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药物分析
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中药学
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DOI
高影响因子
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
Water Quality Research Journal
·
2017
·Vol. 52
·期 2
·90-98
·
IF 0
Xu Ming,Gui Lei,Peng Shu-Chuan,Chen Tian-Hu,Wang Ji-Zhong
A method for determination of chlorophenols (CPs) in sediments was developed using ultrasonic solvent extraction followed by solid-phase extraction, derivatization, and gas chromatography–mass spectrometry (GC-MS) analysis. Some effective operational details and parameters on mixing of samples and extraction solvent, adsorption loss, and extraction cycles of the derivatives were studied and optimized. The calibration curves of standard solutions were observed in the range of 0.5–100 μg L −1 and correlation coefficients ranged from 0.998 to 0.999. The limits of detection (LOD s ) for individual CPs are in the range of 0.026–0.072 ng g −1 . The method showed good performance with the recovery efficiencies of target CPs in spiked sediment at 73.2–105.6%. In addition, the feasibility of applying the proposed method to determine the concentration of CPs in field core sediment samples collected in three shallow lakes in Eastern China was examined. The obtained results show that the present method is a sensitive, simple, low cost and highly feasible method for determination of CPs in sediment samples.
研究领域:
环境分析化学
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环境污染
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有机污染物检测
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沉积物化学
·
水质科学
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DOI
CHROMATOGRAPHIA
·
2018
·Vol. 82
·期 3
·683-693
·
IF 1.401
Shen Chen,Wu Tong,Zang Xiaohuan
In this work, a zeolitic imidazolate framework-based graphene oxide composite (ZIF-8@GO) was prepared and used as the adsorbent in hollow fiber stir bar sorptive extraction. The stir bar was constructed of a small section of hollow fiber filled with 5 mg ZIF-8@GO and a thin stainless wire of 1.5 cm long in its lumen, and used to extract the trace levels of phthalate esters from children’s food samples prior to gas chromatography–mass spectrometric detection. The ZIF-8@GO showed a high adsorption efficiency for the compounds containing aromatic rings. The main experimental parameters that can impact the extraction efficiency including extraction temperature, extraction time, stirring rate, sample salinity, and desorption conditions were investigated. Under the optimized conditions, the limits of detection (LODs) for the five phthalate esters (diethyl phthalate, dipropyl phthalate, diisobutyl phthalate, butylbenzyl phthalate, and di(2-ethylhexyl) phthalate) were 0.15–0.6 µg L −1 for CiCi beverage and pear juice samples, and 0.75–2.2 µg kg −1 for jam samples. The limits of quantitation (LOQs) were 0.5–2.0 µg L −1 for CiCi beverage and pear juice samples, and 2.5–7.5 µg kg −1 for jam samples. Wide linear ranges of 0.5–500.0 µg L −1 and 2.5–2000 µg kg −1 were obtained for CiCi beverage, pear juice samples and jam samples, respectively, with good repeatability (RSD < 11%) and high method recoveries (72%–100%). The lifetime test results showed that the ZIF-8@GO-based hollow fiber stir bar can be reused for 120 extraction cycles without a significant loss of extraction efficiency, indicating its high durability and stability. The established method was applied successfully for the determination of the phthalate esters (PAEs) in children’s food samples. Graphical abstract
研究领域:
分析化学
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食品安全
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环境毒理学
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暴露科学
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食品化学
·
污染物检测
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DOI
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
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
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
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
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
✓ 已验证
DOI
PubMed
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
·
发酵工程
·
代谢组学
·
分析化学
·
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
Current Research in Food Science
·
2024
·
IF 6.2
An-Ran Zheng,Chao-Kun Wei,Meng-Song Wang,Ning Ju,Min Fan
The aroma types of cream cheese affect its commercial value and consumer acceptability. However, the types of volatile substances and sensory characteristics of cream cheese at different fermentation stages are still unclear. Therefore, in this study, headspace solid-phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC-MS) and headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS) were used to analyze the volatile substances in cream cheese fermentation. Orthogonal partial least squares discriminant analysis (OPLS-DA), odor activity value (OAV), relative odor activity value (ROAV) and variable projection importance (VIP) were used to identify the characteristic flavor substances in cream cheese fermentation. Finally, the relationship between key flavor substances and sensory characteristics was determined by partial least squares (PLS) analysis. A total of 34 and 36 volatile organic compounds were identified by HS-SPME-GC-MS and HS-GC-MS, respectively, and 14 characteristic flavor substances were found, based on VIP, ROAV and OAV models. Combined with sensory analysis and flavor substance changes, it was found that the cream cheese fermented for 15 d had the best flavor and taste. This study reveals the characteristics and contribution of volatile substances in cream cheese at different fermentation stages, which provides new insights into improving flavor and quality control.
研究领域:
食品科学
·
分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）