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
JOURNAL OF THE AMERICAN OIL CHEMISTS SOCIETY
·
2025
·
IF 2.4
Hongjie Zhang,Shengyan Zhang,Junyi Ma,Youqiong Liu,Xueli Chen,Weibao Kong,Ji Zhang
This study employed a complementary analytical approach, combining headspace gas chromatography–ion mobility spectrometry (HS-GC-IMS) and headspace gas chromatography–mass spectrometry (HS-GC-MS), to comprehensively characterize the dynamic evolution of volatile organic compounds (VOCs) in virgin olive oil (VOO) from Chenggu 32 (CG-32) and Koroneiki (KK) cultivars across eight maturity indices (MIs). The combined strategy proved powerful: HS-GC-IMS detected 90 VOCs, excelling in profiling polar, aroma-active compounds, while HS-GC-MS confirmed 61 VOCs, providing broader metabolome coverage. Multivariate statistical analysis revealed that genetic cultivar is the primary driver of VOCs profile divergence. The CG-32 variety was characterized by a high abundance of aldehydes, imparting classic “green” notes, whereas the KK variety was dominated by ketones, resulting in a less traditional, intense aroma. Notably, a key finding was that genetic factors can override ripening trends, as evidenced by the late-harvest KK sample clustering with the early-harvest CG-32 sample based on VOCs signature. Orthogonal partial least squares-discriminant analysis (OPLS-DA) models exhibited exceptional predictive power ( Q 2 > 0.94) for varietal authentication, and a set of 35 key discriminatory markers (VIP > 1.0) was identified. This work underscores that MIs alone is an insufficient harvest guide and establishes a robust foundational methodology for VOCs-based quality control and varietal screening of olive oils. The high predictive power of the models demonstrates their potential for authenticity purposes, which now warrants validation with a larger sample set. Graphical Mapping the aroma of virgin olive oil: A dual-technique approach. HS-GC-IMS/MS analysis of two cultivars across eight maturity stages uncovered 35 key VOCs dictating oil identity and maturation. Multivariate modeling enabled precise differentiation, establishing a novel method for quality and authenticity verification.
研究领域:
食品化学
·
分析化学
·
香气科学
·
园艺科学
·
代谢组学
✓ 已验证
产品关联
DOI
高影响因子
Journal of Chemistry
·
2023
·
IF 3
Jin Wang,Haiyu Zhang,Yanqi Sun,Chengming Zhang,Guozhi Tan,Bin Yi,Yuping Wu,Guanghui Kong,Xiong Wen,Jianhua Chen,Yiqin Wu,Jun Tang,Gaokun Zhao
In order to study the volatile and semivolatile components changes of cut tobacco in the drying process, the cut tobacco were determined by headspace-gas chromatography/mass spectrometry (HS-GC/MS). Principal component analysis (PCA) and similarity analysis were used to analyze the HS-GC/MS results. Based on the similarity, the drying conditions and drying mechanism have been studied. The results showed that the increase in water content would reduce the dying rate, and if the temperature increased, the dying rate increased. The preliminary study on the drying kinetics of the drying process shows that Henderson and Pabis model appeared to be the most suitable for describing the drying process of cut tobacco, and the drying activation energy is 111.9 kJ.
研究领域:
食品科学与工程
·
分析化学
✓ 已验证
产品关联
DOI
高影响因子
FOOD CONTROL
·
2024
·
IF 5.6
Haoyue An,Zheng Lu,Zhaohui Wang,Muhammad Qamer Abbas,Zhenxia Du
Regenerated cellulose food packaging is increasingly widely used due to its renewable raw materials and excellent environmental performance. However, because its production process is complex, the safety of the regenerated cellulose food packaging needs to study carefully. In this study, we first collected the packages produced by traditional and new technology, and then HS-GC-MS was used to screen the volatile potential migrants in the package. Three food simulants were used for migration tests. The migrants from the regenerated cellulose food packaging during the contact with different foods were non-targeted screened and semi-quantitative by UPLC-QTOF-MS and GC-MS. The results show that 44 kinds of substances migrated to food simulants, and assessed their risk in conjunction with production processes. Glycerol or triethylene glycol as softeners, migrated in all three simulants and all types of packaging materials. Polyethylene glycol is detected in packaging materials with coatings, that come from adhesives. Allure red and its degradation products used for food coloring were detected in the transferable casing. The degradation product belongs to aromatic amine, which poses a high risk. Glycerol has the highest abundance among all migrants. By comparing the exposure and safety threshold values of migrants, it was found that polyethylene glycol and allure red pose health risks and should be paid more attention.
研究领域:
食品科学
·
分析化学
·
材料科学
·
环境科学
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）