JOURNAL OF CHROMATOGRAPHY A
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2022
·
IF 4.601
Yang Yu,Changliang Yao,Wenlong Wei,Haojv Li,Yong Huang,Shuai Yao,Hua Qu,Qinhua Chen,Quanxi Mei,Wanying Wu,De-an Guo
The hyphenated technique of offline two-dimensional (2D) chromatography with high resolution mass spectrometry (MS) was an efficient tool for separation and characterization of components in complex systems such as herbal medicines, especially those co-eluting components or isomers. In this study, we constructed the ultra-performance convergence chromatography (UPC 2 ) × reversed phase (RP) chromatographic separation system and developed a mass defect filtering (MDF)-based precursor ion list (PIL) acquisition method to improve the selectivity and sensitivity of this technique, and the systematic characterization of diterpenoid alkaloids in the lateral roots of Aconitum carmichaelii (namely “Fuzi” in Chinese) was used as an example. The constructed offline 2D separation system showed a good orthogonality of 0.77. Besides, the in-house databases for known and predicted C 19 - and C 20 -diterpenoid alkaloids were established by molecular design in Compound Discoverer software for MS data matching and filtering, and two MDF windows were further constructed to screen out more potential diterpenoid alkaloids with novel structures and to obtain the PIL (mass range: even values between 298 and 1020 Da, parent mass width: ±100 mDa) for data acquisition by calculating the m/z values of potential ions using mass range and corresponding mass defect in the MDF windows. In addition, an integrative structure interpretation strategy was developed by integrating elemental composition analysis, ring double bond analysis, neutral loss filtering, diagnostic ion filtering and database matching, etc. As a result, a total of 659 components in the lateral roots of A. carmichaelii were exposed and characterized, including 526 potential new compounds. This strategy showed significant advantages in improving the coverage and selectivity of screening, and could also be applied in systematic characterization of components in other herbal medicines.
研究领域:
中药化学
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分析化学
✓ 已验证
DOI
PubMed
高影响因子
MOLECULES
·
2024
·Vol. 29
·期 16
·3759
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IF 4.2
Yachun Zhang,Junyang Chen,Jianhua He,Shuofan Li,Yuanfeng Wang,Yahe Zhang,Quan Shi
Polyglycolic acid (PGA) is a biologically friendly material with a wide range of applications. The production of dimethyl oxalate using coal-based syngas and the hydrogenation of dimethyl oxalate can produce the polymerization raw material of PGA, glycolide, which requires a methyl glycolate polymerization and depolymerization process. The intermediate products of the production process were analyzed using gas chromatogram-mass spectrometry (GC-MS) and Orbitrap mass spectrometry (Orbitrap MS), which revealed the presence of cyclic and linear PGAs with different capped ends. The impurities present in the oligomer were mostly methyl-capped PGA and were retained in the subsequent depolymerization process to glycolide, solvent washing can be used to remove this part of the impurity and ultimately obtain a refined glycolide product. Furthermore, it is proposed that the use of the specialized Kendrick Mass Defect (KMD) to plot and analyze PGA compounds obtained using mass spectrometry can enable the direct classification of PGAs without the need for exact molecular formula assignment.
研究领域:
化学工程
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材料科学
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分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
IEEE SENSORS JOURNAL
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2024
·Vol. 24
·期 13
·21276-21285
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IF 4.3
Xinghua Shi,Anxue Zhang,Guoqing Han,Yuemeng Yin,Wenchao Chen
Highway bridges are primarily reinforced concrete structures. They have multilayer steel mesh sheets, corrugated pipes, and steel strands inside. As a result, detecting defects in bridge concrete structures requires high technical expertise and can be challenging. This article presents a new device of ground-penetrating radar (GPR) designed specifically for highway bridge inspection. It employs antenna array technology, multichannel radar control technology, and real-time 3-D data acquisition and display technology to achieve reliable detection of various concrete structures commonly found in bridges. Using a 1.3 GHz central frequency antenna array and a multichannel control unit, the system enables simultaneous surveying along five lines, the detection depth can exceed 600 mm in concrete. This significantly enhances detection efficiency. By employing specialized software processing, the detection results are presented in a specific and visually comprehensive 3-D format. Moreover, the system provides 3-D slice images from any position and direction, facilitating the interpretation of detection results for various targets, including reinforcement layout, protective layer thickness, corrugated pipes, steel strands, and other quality defects. It provides advanced and reliable technical means for construction quality control and bridge health monitoring of highway bridges. The results indicate that the device performs well not only in controlled experimental environments, but also in real-world bridge structure environments.
研究领域:
土木工程
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结构健康监测
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无损检测
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交通基础设施
✓ 已验证
DOI
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2025
·
IF 3.1
Song Wang,Xinnan Chang,Jing Li,Zuoqiao Shi,Guowen Li
Herbal pairs are combinations of two relatively fixed herbs that are frequently used in clinical practice to achieve specific therapeutic effect. Epimedium and Astragalus are frequently used together in clinical settings. However, there is a lack of an in-depth understanding of the active components of these herbs in vivo . In this study, a method based on ultra-high-performance liquid chromatography coupled to high resolution mass spectrometry together with diagnostic fragment ions (DFIs) mass defect filtering (MDF) was developed to systematically screen and identify the chemical ingredients presenting in Epimedium-Astragalus granule pair (EAGP) and the absorbed components and their metabolites in rat plasma following oral administration. Using accurate mass determination, mass defect filtering and diagnostic fragment ion screening strategies, a total of eighty-five ingredients were identified in EAGP. By comparing the total ion chromatograms obtained from dosed rat plasma, blank rat plasma and EAGP solution, a total of forty-six compounds were detected in dosed rat plasma, including twenty-five prototypes and twenty-one metabolites. Among these, seventeen parent compounds were derived from Epimedium and eight were from Astragalus. These metabolites were associated with ononin (M1, M2, M9 M10 and M17), calycosin-7- O - β -D-glucoside (M6, M7, M8 and M13), icariin (M3, M4, M5, M11, M14, M15, M18, M19, M20 and M21) and methylnissolin (M12). The metabolic pathways included hydroxylation, demethylation, deglycosylation and glucuronidation. This study elucidated the potential pharmacologically active components of EAGP and provided essential data for the further study on its pharmacological materials basis and mechanism of action.
研究领域:
中药化学
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药代动力学
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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）