JOURNAL OF SEPARATION SCIENCE
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2017
·Vol. 40
·期 9
·1906-1919
·
IF 2.557
Chunguo Wang,Zhiquan Zheng,Xinqi Deng,Xiaojie Ma,Shengnan Wang,Jie Liu,Yong Liu,Jinli Shi
Valeriana jatamansi Jones is an important medicinal plant and its quality is closely related to its region of origin. In the current study, we utilized a flexible and powerful strategy for comprehensive evaluation of the quality diversity for 15 regions in China. The method was based on a hybrid linear ion trap-Orbitrap mass spectrometry platform. For structure characterization, fragmentation patterns were detected by analyzing a series of standard compounds using data dependent multistage mass spectrometry acquisition. A fragment ion database for valepotriates was established, and the acquired data were high throughput filtered by fragment ion search for compound identification. For quantitative purposes, we normalized the mass spectrometry data of 15 samples using SIEVE 2.0 and the differences in composition were analyzed using principal component analysis combined with hierarchical clustering analysis. The results identified a total of 92 compounds from Valeriana jatamansi Jones. Samples from Dali, Kunming, and Baoshan have better qualities and concentrations of the main active constituents. To verify our strategy, we compared the valtrate, acevaltrate, and baldrinal contents using high-performance liquid chromatography with diode array detector. We developed and validated a comprehensive qualitative and quantitative analytical method to achieve quality control of Valeriana jatamansi Jones.
研究领域:
药用植物学
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分析化学
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中药质量控制
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高影响因子
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
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2016
·
IF 2.687
Zong-Lin Yang,Hui Li,Bing Wang,Shu-Ying Liu
Neurotransmitters (NTs) and their metabolites are known to play an essential role in maintaining various physiological functions in nervous system. However, there are many difficulties in the detection of NTs together with their metabolites in biological samples. A new method for NTs and their metabolites detection by high performance liquid chromatography coupled with Q Exactive hybrid quadruple-orbitrap high-resolution accurate mass spectrometry (HPLC–HRMS) was established in this paper. This method was a great development of the applying of Q Exactive MS in the quantitative analysis. This method enabled a rapid quantification of ten compounds within 18 min. Good linearity was obtained with a correlation coefficient above 0.99. The concentration range of the limit of detection (LOD) and the limit of quantitation (LOQ) level were 0.0008–0.05 nmol/mL and 0.002–25.0 nmol/mL respectively. Precisions (relative standard deviation, RSD) of this method were at 0.36–12.70%. Recovery ranges were between 81.83% and 118.04%. Concentrations of these compounds in mouse hypothalamus were detected by Q Exactive LC–MS technology with this method.
研究领域:
神经生物学
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分析化学
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医学
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PubMed
高影响因子
MOLECULES
·
2022
·Vol. 27
·期 11
·3593
·
IF 4.927
Meng Wei,Xiaochang Liu,Peng Xie,Yuanhua Lei,Haojie Yu,Aiyun Han,Libin Xie,Hongliang Jia,Shaohua Lin,Yueyu Bai,Baozhong Sun,Songshan Zhang
This study focused on characterizing the volatile profiles and contributing compounds in pan-fried steaks from different Chinese yellow cattle breeds. The volatile organic compounds (VOCs) of six Chinese yellow cattle breeds (bohai, jiaxian, yiling, wenshan, xinjiang, and pingliang) were analyzed by GC-Q-Orbitrap spectrometry and electronic nose (E-nose). Multivariate statistical analysis was performed to identify the differences in VOCs profiles among breeds. The relationship between odor-active volatiles and sensory evaluation was analyzed by partial least square regression (PLSR) to identify contributing volatiles in pan-fried steaks of Chinese yellow cattle. The results showed that samples were divided into two groups, and 18 VOCs were selected as potential markers for the differentiation of the two groups by GC-Q-Orbitrap combined multivariate statistical analysis. YL and WS were in one group comprising mainly aliphatic compounds, while the rest were in the other group with more cyclic compounds. Steaks from different breeds were better differentiated by GC-Q-Orbitrap in combination with chemometrics than by E-nose. Six highly predictive compounds were selected, including 3-methyl-butanal, benzeneacetaldehyde, 2-ethyl-6-methyl-pyrazine, 2-acetylpyrrole, 2-acetylthiazole, and 2-acetyl-2-thiazoline. Sensory recombination difference and preference testing revealed that the addition of highly predictive compounds induced a perceptible difference to panelists. This study provides valuable data to characterize and discriminate the flavor profiles in pan-fried steaks of Chinese yellow cattle.Keywords:Chinese yellow cattle;volatile organic compounds;GC-Q-Orbitrap;E-nose;sensory evaluation;multivariate statistical analysis
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Food & Function
·
2021
·Vol. 12
·期 19
·8899-8906
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IF 5.396
Qing Zheng,Yaru Hu,Ayuan Xiong,Ying Su,Zihao Wang,Kun Zhao,Yougui Yu
Elucidating the organometallic interactions in Baijiu will promote a deeper understanding of the flavour formation mechanism during Baijiu aging. However, the organometallic interactions during aging are difficult to explore because the concentration and status of metals in Baijiu samples are affected by other substances (such as organic acids), and the concentrations of these substances also change dynamically. Hence, the flavour formation mechanism of aged Baijiu was investigated based on a multi-method analysis (i.e. electrochemistry, ICP-MS/OES, and UPLC-Q-Orbitrap-MS/MS), which enabled us to solve the difficulty above. The key finding is that, in the aging period, the organic acids induce the transformation of the metal ion state from the complex state to the free state. As a result, the flavour compound (i.e. the esters) contents in aged Baijiu are regulated by the free metal ion-catalyzed reactions.
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CHROMATOGRAPHIA
·
2024
·
IF 1.2
Chen Shaoman,Li Xican,Li Chunhou,Cai Rongxin,Chen Ban,Jiang Guihua,Liang Yongbai,Chen Xu
Violae herba (Zihuadiding) is a common Chinese herbal medicine. The current Chinese Pharmacopeia (ChP) defines Viola yedoensis Makino as the sole plant origin and esculetin as its sole quality-marker (Q-marker). Esculetin, however, occurs in some counterfeits as well. This implies that current ChP criterion actually cannot recognize the counterfeits of V. yedoensis . The study thus created a specialized MS library using ultra-high-performance liquid chromatography with quadrupole-orbitrap tandem mass spectrometry (UHPLC- Q -Orbitrap-MS/MS) analysis. Through library-comparison, 36 compounds were putatively identified from V. yedoensis ; especially, four isomers were successfully distinguished, that is, vitexin vs isovitexin and schaftoside vs isoschaftoside. The subsequent UHPLC- Q -Orbitrap-MS/MS semi-quantification suggested that the chemical contents of 36 compounds varied from 0.001 to 1.958% and the old Q-marker esculetin had high content (0.484 ± 0.028%). According to the relevant principles, flavonoid luteolin was proposed as the new and additional Q-marker. The proposal offers a preliminary evidence to recognize seven adulterations (or counterfeits) of V. yedoensis .
研究领域:
中药学
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分析化学
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植物化学
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SCIENCE OF THE TOTAL ENVIRONMENT
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2020
·
IF 6.551
Yanping Xian,Ming Liang,Yuluan Wu,Bin Wang,Xiangchang Hou,Hao Dong,Liya Wang
Most of the reported magnetic adsorbents are difficult to absorb multi-class of per - and polyfluoroalkyl substances (PFASs), especially the short-chain PFASs. In this work, a novel fluorine and nitrogen functionalized magnetic graphene (G-NH-FBC/Fe 2 O 3 ) was first synthesized and characterized by scanning electron microscope (SEM), Fourier Transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD) and vibrating sample magnetometer (VSM). The as-prepared G-NH-FBC/Fe 2 O 3 was utilized as adsorbents for the magnetic solid-phase extraction (MSPE) of 19 PFASs from water and functional beverages and showed excellent adsorption capacity probably due to the hydrophobic interaction. Under the optimal pretreatment and instrumental conditions, a selective and sensitive high performance liquid chromatography Orbitrap high resolution mass spectrometry (HPLC-Orbitrap HRMS) method was developed for the determination of PFASs. Results indicated that the proposed method had favorable linearity (R 2 ≥ 0.994) within a wide range of concentrations. Limit of detection (LOD) and limit of quantification (LOQ) for the developed method ranged from 3 ng/L to 15 ng/L and 10 ng/L to 49 ng/L, respectively. Finally, the method was successfully applied to determine PFASs in drinking water , river water, tap water , factory drainage and functional beverages with recoveries ranging from 71.9% to 117.6% and relative standard deviation of <10%. The prepared G-NH-FBC/Fe 2 O 3 was easy to recycle and could be reused for five times without significant decrease in extraction recoveries of PFASs. These results demonstrated that this novel magnetic G-NH-FBC/Fe 2 O 3 could efficiently enrich PFASs and the proposed method is reliable and robust for the determination of PFASs in water and beverage samples.
研究领域:
环境科学
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分析化学
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ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2026
·
IF 4.1
Liu Feng,Yu Decong,He Kun,Song Yanan,Li Yichao,Gao Haoxuan,Wu Bing,Li Xiaoyu,Zhao Ji,Xu Fei,Yang Huifang
The widespread use of neonicotinoids has raised growing concerns about their potential health risks. In this study, we developed a robust and high-throughput analytical method based on liquid-liquid extraction (LLE) and dispersive solid-phase extraction (dSPE), followed by high-performance liquid chromatography-quadrupole-Orbitrap high-resolution mass spectrometry (HPLC-Q-Orbitrap HRMS) for the simultaneous determination of 11 neonicotinoids and their 6 metabolites in human urine. After pretreatment of LLE and dSPE, qualitative and confirmatory analysis was achieved using tMS 2 acquisition of HPLC-Q-Orbitrap HRMS, and quantitative analysis was performed using isotope-labeled internal standards and matrix-matched calibration curves. The method was validated with good linearity ( R 2 > 0.9975), recoveries of 75.8%~118.9% (RSDs < 15%), and detection limits of 0.001~0.06 μg/L. The established method was successfully applied to urine samples of community-dwelling elderly population individuals ( n = 150) and to a suspected case of acute acetamiprid poisoning in Ningxia, China. The results showed that thirteen neonicotinoids and metabolites were detected in the elderly cohort, and the poisoning incident was confirmed to be caused by acetamiprid and its metabolite N-desmethyl-acetamiprid. Meanwhile, Spearman correlation analysis indicated significant positive correlations between parent compounds and their metabolites for all analytes except acetamiprid, and a strong correlation between clothianidin and thiamethoxam, suggesting shared exposure sources or common metabolic pathways. The established method is sensitive, accurate, and high-throughput, and has proven reliable for human biomonitoring and health risk assessment of neonicotinoid exposure. Graphical
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MICROCHEMICAL JOURNAL
·
2025
·
IF 5.1
Shiyao Hua,Jiayue Liu,Sijia Pu,Liang Zou,Lei Zhang,Peng Li
Comprehensive elucidation of the chemical constituents of Astragali Radix is crucial for its quality control and edible product development. Herein, online comprehensive two-dimensional hydrophilic interaction liquid chromatography × reversed phase liquid chromatography tandem high-resolution mass spectrometry was elaborately designed to separate, identify, and qualitatively compare various chemical components of Astragali Radix from two species. After selection and optimization of stationary phase, mobile phase, elution program and interface, an optimum method suitable for chemical components in Astragali Radix was established successfully. Under the optimized separation conditions, the orthogonality reached 99 %. A total of 212 compounds were identified and tentatively identified (198 from A. membranaceus var. mongholicus and 177 from A. membranaceus ). Additionally, the fragmentation pattern of flavonoids and saponins mass data in Astragali Radix have also been systematically studied. These findings not only unveiled multi-component complexity and diversity in two Astragalus species, but also proposed an innovative strategy for the rapid separation and identification of other complex systems.
研究领域:
中药学
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分析化学
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植物化学
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JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
·
2017
·
IF 2.603
Qiaoyuan Cheng,Linjun Shou,Cen Chen,Shi Shi,Minghao Zhou
In this paper, an ultra-high-performance liquid chromatography coupled with linear ion trap quadrupole Orbitrap high resolution mass spectrometry (UHPLC-LTQ-Orbitrap HRMS) method was developed and validated for identification, confirmation and quantitation of illegal adulterated weight-loss drugs in plant dietary supplements. 13 wt-loss drugs were well separated by the gradient elution of 10 mmol/L ammonium acetate − 0.05% formic acid H 2 O and acetonitrile at a flow rate of 0.2 mL/min within 12 min. The MS analysis was operated under the positive ion and in full MS/dd-MS 2 (data-dependent MS 2 ) mode. The full MS scan with resolution at 60 000 FWHM and narrow mass windows at 5 ppm acquired data for identification and quantitation, and dd-MS 2 scan with resolution at 15 000 FWHM obtained product ions for confirmation. The method validation showed good linearity with coefficients of determination (r 2 ) higher than 0.9951 for all analytes. Meantime, all the LOD and LLOQ values were in the respective range of 0.3–2 and 1–9 ng/g. The accuracy, intra- and inter-day precision were in the ranges of −1.7 to 3.4%, 1.7–5.0% and 1.9–4.4%, respectively. The mean recoveries ranged from 85.4 to 107.1%, while the absolute and relative matrix effect were in the corresponding range of 98.2–108.6% and 2.6–8.7%. Among 120 batches of weight loss plant dietary supplements, sibutramine and fluoxertine or both were positive in 29 samples. In general, LTQ-Orbitrap HRMS technology was a powerful tool for the analysis of illegal ingredients in dietary supplements.
研究领域:
分析化学
·
药学
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高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2023
·
IF 6.1
Zibian Fan,Wei Jia,An Du
The scandal of detecting the flavoring solvent propane-1,2-diol (PD) in milk has brought a crisis to the trust of consumers in the dairy industry, while its deposition and transformation are still indistinct. Pseudo-targeted lipidomics revealed that PD accelerated the degradation of glycerolipid (33,638.3 ± 28.9 to 104,54.2 ± 28.4 mg kg–1), phosphoglyceride (467.4 ± 8.2 to 56.6 ± 4.2 mg kg–1), and sphingolipids (11.4 ± 0.3 to 0.7 ± 0.2 mg kg–1), which extremely decreased the milk quality. Recoveries and relative standard deviations (RSDs) of the established method were 85.0–109.9 and 0.1–14.9%, respectively, indicating that the approach was credible. Protein–lipid interactions demonstrated that 10 proteins originating from fat globules were upregulated significantly and the activities of 7 enzymes related to lipid degradation were improved. Diacylglycerol cholinephosphotransferase was the only enzyme with decreased activity, and the molecular docking results indicated that PD adjusted its activity through regulating the conformation of the active center and weakening the hydrogen bond force between the enzyme and substrate. This study firstly revealed the mechanism of deposition and transformation of PD in milk, which contributed to the knowledge on the milk quality control and provided key indicators to evaluate the adverse risks of PD in dairy products.
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RAPID COMMUNICATIONS IN MASS SPECTROMETRY
·
2020
·Vol. 34
·期 12
·e8779
·
IF 2.2
Jianglan Long,Liwei Liu,Qingquan Jia,Zhirui Yang,Zhi Sun,Can Yan,Dan Yan
Rationale The prevalence of type 2 diabetes mellitus (T2DM) is increasing but its early diagnosis in high risk populations remains challenging using only fasting blood glucose (FBG) or hemoglobin A1c measurements. It is, therefore, important to search for an integrated biomarker for early diagnosis by determining metabolites associated with the progression of the disease. Methods We recruited 149 participants (51 T2DM patients, 50 individuals with impaired fasting glucose (IFG) and 48 normal glucose tolerance subjects). Their serum samples were analyzed based on a metabolomics approach using ultra-high-performance liquid chromatography quadrupole-Orbitrap high-resolution accurate mass spectrometry (UHPLC/Q-Orbitrap HRMS). The changes in metabolites were profiled and evaluated using univariate and multivariate analyses. Furthermore, a biomarker model was established and the potential biomarkers were evaluated using binary logistic regression analysis and receiver operating characteristic analysis with AUC (area under the curve). Pathway analysis of differential metabolites was performed to reveal the important biological information. Results Thirty-eight differential metabolites were identified as significantly associated with T2DM patients and 23 differential metabolites with IFG individuals, mainly amino acids, carnitines, and phospholipids. By evaluating 17 potential biomarkers, we defined a novel integrated biomarker consisting of 2-acetolactate, 2-hydroxy-2,4-pentadienoate, L-arabinose and L-glutamine. The AUCs of the integrated biomarker with IFG and T2DM patients were 0.874 and 0.994, respectively, which showed a superior diagnostic performance. The levels of 2-acetolactate and 2-hydroxy-2,4-pentadienoate were strongly positively correlated with FBG, while L-glutamine and L-arabinose were strongly negatively associated with FBG. After pathway analysis, it was suggested that the majority of the influenced metabolic pathways associated with diabetes referred to amino acid metabolism. Conclusions The integrated biomarker could diagnose IFG and T2DM with a superior diagnostic performance. This finding provides support for novel biomarkers in the diagnosis and treatment of diabetes.
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Frontiers in Microbiology
·
2024
·
IF 4
Xu Chong,Pan Danyang,Zhang Dexiang,Lin Lin,Chen Yiti,Liang Shuangcheng,He Jingyu
Introduction: Microorganisms as a component of scalp ecosystem play a vital role in human scalp health. Soapberry pericarp is employed in improving scalp health, and its content of active ingredients could be enhanced resulted in fermentation. This study aims to investigate the effect of the fermentation filtrate from soapberry pericarp on the diversity of scalp microorganisms.Methods: The components in fermentation filtrate from soapberry pericarp were analyzed by HPLC-Q-Orbitrap HRMS, and 16S and ITS sequences of 198 samples from three different used stages (Day 0, Day 7, Day 28) were sequenced using the Illumina Novaseq platform. Microbial diversity was assessed using alpha diversity (Chao1 and Shannon indexes) and beta diversity (weighted unifrac and unweighted unifrac). Principal coordinate analysis (PCoA) and linear discriminant analysis (LDA) effect size analysis (LEfSe) were used to visualize microbial variation among different stages.Results: There were 22 components were identified in the fermentation filtrate from soapberry pericarp by HPLC-Q-Orbitrap HRMS. The alpha-diversity and beta-diversity analyses showed that scalp microbial diversity and composition were influenced by the fermentation filtrate of soapberry pericarp. Based on functional analysis, this study found an enrichment of healthy scalp-related bacterial pathways, such as amino acid, nucleoside, and nucleotide biosynthesis, while a decrease in fungal pathogenesis pathways, specifically saprotroph and symbiotroph pathways, was observed.Discussion: The study described about the complex community dynamics of human scalp microorganisms during the stages of using the fermentation filtrate from soapberry pericarp. This result will help rationally utilize the fermentation filtrate from soapberry pericarp to keep or improve human scalp health.
研究领域:
微生物学
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药学
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生物技术
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皮肤科
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高影响因子
危险品化学品经营许可证（带存储）