JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2021
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IF 3.935
Xing Han,Fang-jie Cheng,Bin Di,Hui Xu,Min Song,Tai-jun Hang,Yu-Ting Lu
Zopiclone, a non-benzodiazepine hypnotic, is the first-line treatment for insomnia. The quality and stability of zopiclone tablets directly affects its efficacy and safety. However, the impurity investigation in zopiclone tablets remain incomplete. In this study, the accelerated and long-term stabilities of zopiclone tablets, as well as the stability characteristics under thermal and photolytic conditions were evaluated according to the ICH guidelines. In addition, a sensitive and specific LC-QTOF-MS method was developed for the separation and identification of all the impurities in zopiclone tablets and its stability test samples. Nine impurities were found in the test samples, five among them have not been reported before. Based on the accurate mass and elemental compositions of the parent and product ions obtained, the structures of all the detected impurities were identified. Combined with the formulation composition analysis and stability studies, the origins and the formation mechanisms of these impurities were elucidated. The obtained results are useful for the establishment of the optimum formulation, storage condition, manufacturing processes and quality control of zopiclone tablets.
研究领域:
药物化学
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分析化学
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药学
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DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2019
·Vol. 33
·期 9
·e4568
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IF 1.748
Liping Zhou,Hexiang Liu,Zhongyong Xu,Su Guan,Lei Zhang
Febuxostat is a novel nonpurine type of highly selective xanthine oxidoreductase inhibitor. A rapid and sensitive ultra-high-performance liquid chromatography–quadrupole time-of-flight mass spectrometry method for simultaneous separation and determination of febuxostat and its metabolites in rat serum and urine was developed at various time points after oral administration to the rats. The febuxostat metabolites were predicted by biotransformation software and transformed to a personal compound database to quickly determine the possible metabolites from the MS1 data. The possibility of the MS/MS fragmentation was calculated by the Molecular Structure Correlator software. As a result, five phase I and two phase II metabolites in rat serum, and seven phase I and three phase II metabolites in rat urine were identified, of which four metabolites (M2, M5, M6, M7) have not been reported before. The metabolite toxicities are predicted, and the results are helpful for the design of new xanthine oxidoreductase inhibitors.
研究领域:
药理学
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分析化学
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毒理学
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DOI
PubMed
高影响因子
CHROMATOGRAPHIA
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2019
·Vol. 83
·期 1
·87-93
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IF 1.552
Cui Peng,Fang Hong-Xia,Qian Chen,Cheng Man-Huan
In this study, based on depolymerization solution of commercially available sodium lignosulfonate under mild conditions, an efficient method for the chromatographic separation of lignosulfonate depolymerization products was firstly established. The self-built database contains 18 lignin-based standards and the information on their names, formulas, structures, retention times, fragments, and corresponding MS E data was developed. By searching the online spectral data in a novel informatics database, a total of nine aromatic lignin depolymerization products were identified automatically. Thus, a fast standard protocol for detection and identification of real lignin degradation products was preliminary built.
研究领域:
分析化学
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林产化学
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环境科学
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DOI
高影响因子
BIOMEDICAL CHROMATOGRAPHY
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2014
·Vol. 29
·期 6
·860-868
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IF 1.662
Xiaoping Zhang,Huiqing Lv,Zuguang Li,Kezhi Jiang,Maw-Rong Lee
Ficus pandurata H. aerial roots are used as a traditional Chinese medicine for the treatment of uarthritis, indigestion and hyperuricemia. However, the bioactive constituents responsible for the pharmacological effects of F . pandurata H. are unclear. A simple and efficient HPLC/QTOF-MS/MS (high-performance liquid chromatography/electrospray ionization with quadrupole time-of-flight tandem mass spectrometry) method was established to detect and identify active constituents in the n -butanol extract of F . pandurata H. aerial roots. Chemical constituents were separated and investigated by HPLC/QTOF-MS/MS in the negative-ion mode. Thirty-seven compounds, including hydroxycinnamic acid derivatives, hydroxybenzoic acid derivatives, hydroquinone glycosides, flavonoid glycosides, etc., were identified or tentatively characterized in the n -butanol extract of F . pandurata H. aerial roots by comparing the UV spectra, accurate mass spectra and fragmentation pathways and retrieving the reference literatures. Moreover, the flavonoid trisaccharides and hydroxybenzoic acid derivatives were tentatively characterized in F . pandurata H. for the first time. The analytical tool used here is very valuable in the rapid separation and identification of the multiple and minor constituents in the n -butanol extract of F . pandurata H. aerial roots. Copyright © 2014 John Wiley & Sons, Ltd.
研究领域:
药理学
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分析化学
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植物化学
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产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
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2023
·
IF 8.8
Jing-Jing Zhang,Yan Gao,Mei-Ling Zhao,Xiao Xu,Bo-Nan Xi,Li-Ke Lin,Jing-Yi Zheng,Bang Chen,Yu Shu,Cong Li,Yehua Shen
Authentication of walnut oil (WO) is challenging due to the adulteration of high-linoleic acid vegetable oils (HLOs) with similar fatty acid composition. To allow the discrimination of WO adulteration, a rapid, sensitive and stable scanning method based on supercritical fluid chromatography quadrupole time-of-flight mass spectrometry (SFC-QTOF-MS) was established to profile 59 potential triacylglycerol (TAGs) in HLOs samples within 10 min. Limit of quantitation of the proposed method is 0.002 µg mL −1 and the relative standard deviations range from 0.7% to 12.0%. TAGs profiles of WO samples from various varieties, geography origins, ripeness, and processing methods were used to construct orthogonal partial least squares-discriminant analysis (OPLS-DA) and OPLS models that were highly accurate in both qualitative and quantitative prediction at adulteration levels as low as 5% (w/w). This study advances the TAGs analysis to characterize vegetable oils and holds promise as an efficient method for oil authentication.
研究领域:
食品科学
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分析化学
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产品关联
DOI
PubMed
高影响因子
Chemistry Africa-A Journal of the Tunisian Chemical Society
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2023
·Vol. 6
·期 4
·1799-1810
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IF 2.6
Gogoi Pinku,Kumar Amit,Das Aparoop,Baishya Gakul
The present study was aimed to investigate the role of Dillenia indica L. bark extracts and their kinetics of inhibition against the tyrosinase enzyme. The kinetics study of various concentrations of the extracts was executed by spectrophotometric assay. Out of four extracts, only hydro-ethanolic extract of D. indica barks (HEEBDI) showed the maximum radical scavenging capacity (36.73 ± 1.65 μg/ml) compared to ascorbic acid. Additionally, HEEBDI scavenging capacity and tyrosinase inhibitory properties showed a significant correlation. In HEEBDI, fifteen marker compounds were identified by LC-QTOF-MS method. The tyrosinase inhibitory activity of HEEBDI (IC 50 19.32 ± 0.57 μg/ml) showed a significant value compared to kojic acid (IC 50 22.08 ± 0.19 μg/ml). The inhibitory mechanism was confirmed in a mixed manner by enzyme kinetics. With minimal conformational energy, betulinic acid and kaempferol bind to the tyrosinase enzyme (PDB ID: 2y9x) as proved by their respective docking score and binding interaction.
研究领域:
植物化学
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药理学
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生物信息学
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DOI
高影响因子
JOURNAL OF FOOD SCIENCE AND TECHNOLOGY-MYSORE
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2024
·
IF 2.6
Li Ya,Liang Jianfeng,Liang Lili
Pile fermentation plays a crucial role in the formation of the unique flavor of Liupao tea, which can effectively reduce the bitterness of the tea and promote the formation of red tea soup. In this study, the non-volatiles changes of Liupao tea during pile fermentation processing were fully analyzed by UPLC-QTOF-MS/MS. A total of 271 metabolites with significant differences were identified in Liupao tea during pile fermentation( P < 0.01, VIP > 1), and their trends were grouped into 10 subclasses by K-means analysis. Three differential metabolites Choline Alfoscerate, N1-Methyl-4-pyridone-5-carboxamide, and 2-Aminovalienone were shared among the three different pile fermentation periods. The results provided valuable information for understanding the dynamic changes of non-volatile substances during the pile fermentation process of Liupao tea.
研究领域:
食品科学
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代谢组学
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产品关联
DOI
PubMed
高影响因子
SOUTH AFRICAN JOURNAL OF BOTANY
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2016
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IF 1.244
H. Li,D. Zhang,L.-H. Tan,B. Yu,S.-P. Zhao,W.-G. Cao
In this study, Dipsacus asperoides was separately extracted in three solvents (water, methanol and acetone), and the antioxidant activities of each extract were investigated through assays of DPPH, ABTS, β-carotene/linoleic acid system and reducing power. The total phenolic acids, flavonoids and saponins in each solvent extract were calculated for a correlation analysis. The phenolic compounds in the extracts were identified by LC-ESI-QTOF-MS–MS. The results showed that the three extracts exhibited antioxidant effects in a concentration-dependent manner, and the water extracts exerted the highest antioxidant activity effect followed by the methanol and acetone extracts. The correlation analysis indicated that the total phenolic components presented the greatest contribution to the antioxidant activities. Fifteen main phenolic compounds were identified in the water extracts, and three of these compounds had not been previously identified in D. asperoides . The results suggest that water extraction of D. asperoides is a promising source of natural antioxidants.
研究领域:
植物化学
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药理学
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产品关联
DOI
高影响因子
FOOD RESEARCH INTERNATIONAL
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2024
·
IF 7
Xiao Shan,Lin Li,Yu Liu,Ziwei Wang,Binbin Wei,Zhongbo Zhang
Almonds are a commonly consumed nut. They possess significantof nutritional and health benefitsand are commonly processed by roasting. This study aimed to investigatthe effects of roasting on the compound composition and antioxidant activity of almonds. Metabolomics analysis, performed via UPLC-QTOF/MS, and fatty acid analysis, conducted via GC–MS, employed, and the results demonstrated a significant increase in antioxidant activity of post-roasting and in vitro digestion, ranging from 1.16 to 3.44 times. Untargeted metabolomics identified a total of 172 compounds, with notable differences observed in organic oxides, fatty acids, and their derivatives. Correlation analysis identified fatty acids as the primary influencers of changes in antioxidant activity following roasting. Taken together, these findings suggest that roasting enhances the antioxidant activity of almonds, primarily due to alterations in fatty acid analogs, thereby providing valuable insights into optimizing almond consumption for health benefits.
研究领域:
食品科学
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营养学
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分析化学
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代谢组学
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产品关联
DOI
PubMed
高影响因子
Journal of Radiation Research and Applied Sciences
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2024
·
IF 1.7
Siqinbilige Wu,Jingxian Gao,Yinzhabu Bai,Zhen Bai,Changxi Bai
Introduction Human constitution is closely linked to health and disease and serves as a basis for disease diagnosis. In this work, the urinary metabolomics of three basic traditional Mongolian medicine constitution (MMC) types were analyzed using ultra-high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UHPLC-QTOF-MS) and nuclear magnetic resonance (NMR) techniques. Materials and methods 90 volunteers majoring in Mongolian medicine from a university during 2021.1–2023.1 were averagely grouped based on the characteristics of MMC using the Classification and Scoring Scale for Mongolian Medicine Constitution : Khii group, Shar group, and Badgan group. NMR technology was employed to determine the urinary metabolites of subjects in different groups. UHPLC-QTOF-MS technology was applied to identify differential metabolites in urine. Multivariate statistical analysis (MSA) including principal component analysis (PCA), partial least squares-discriminant analysis (PLS-DA), and orthogonal partial least squares-discriminant analysis (OPLS-DA) were adopted to analyze the impacts of urinary metabolites. Results the positive ion mode exhibited higher signal intensity with better separation efficiency. Accuracy of UHPLC-QTOF-MS and NMR in Mongolian urinary metabolites exceeded 99%. PCA demonstrated satisfactory clustering analysis results. Covered metabolic pathways encompassed tricarboxylic acid cycle (TCA), fatty acid beta-oxidation, as well as protein, nucleic acid, and amino acid metabolisms. Conclusion the three basic Mongolian constitutions may involve several small molecular metabolites (SMMs) like bile acids, carnitine, aromatic acids, amino acids, and small molecular carboxylic acids. When clinically diagnosing and treating diseases based on Mongolian constitution, constitutional factors should be considered.
研究领域:
医学
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代谢组学
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传统医学
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产品关联
DOI
高影响因子
Heliyon
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2024
·
IF 3.4
Xiaoyu Zhang,Xueyuan Dong,Ruihu Zhang,Shufan Zhou,Wei Wang,Yu Yang,Yuefei Wang,Huijuan Yu,Jing Ma,Xin Chai
Rheumatoid arthritis (RA) is a chronic systemic autoimmune disease that seriously affects the life quality of patients. As a patent medicine of Chinese traditional medicine, YuXueBi capsule (YXBC) is widely used for treating RA with significant effects. However, its active compounds and therapeutic mechanisms are not fully illuminated, encumbering the satisfactory clinical application. In this study, we developed a method for identifying the chemical compounds of YXBC and the absorbed compounds into blood of rats using ultra performance liquid chromatography/ion mobility-quadrupole time-of-flight mass spectrometry (UPLC/IM-QTOF-MS) combined with UNIFI analysis software. A total of 58 compounds in YXBC were unambiguously or tentatively identified, 16 compounds from which were found in serum of rats after administration of YXBC. By network pharmacology, these prototype compounds identified in serum were predicted to regulate 30 main pathways (including HIF-1 signaling pathway, neuroactive ligand-receptor interaction, IL-17 signaling pathway, and so on) through 146 targets, resulting in promoting blood circulation and removing blood stasis, analgesia, and anti-inflammatory activities. This study provides a scientific basis for the clinical efficacy of YXBC in the treatment of RA.
研究领域:
中药学
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药理学
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分析化学
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产品关联
DOI
PubMed
高影响因子
NEW JOURNAL OF CHEMISTRY
·
2020
·Vol. 44
·期 19
·7727-7739
·
IF 3.288
Hui Wang,Shaowei Yan,Bo Qu,He Liu,Jie Ding,Nanqi Ren
A rapid and efficient magnetic solid phase extraction (MSPE) method, based on Fe3O4@β-cyclodextrin–lipid bilayer nanocomposites (Fe3O4@β-CD–LB), was built. The MSPE method coupled with GC-QTOF-MS has been designed for the trace detection of nine organochlorine pesticides (OCPs) in soil samples. The Fe3O4@β-CD–LB was successfully synthesized and characterized by vibrating sample magnetometry, Fourier transform infrared spectrometry, transmission electron microscopy, field emission scanning electron microscopy and energy-dispersive X-ray spectroscopy. In this experiment, the OCPs in the soil samples were firstly extracted with n-hexane/dichloromethane (v/v 1 : 1) at high pressure and temperature, and then subjected to MSPE for adsorption and purification. Considering the synergy effect between host–guest inclusion complexation and hydrophobic interaction in the adsorption mechanism, the bi-functionalized magnetic nanocomposites exhibited excellent adsorption properties for the OCPs and natural resistance to interference by macromolecules. Under the optimum experimental conditions, the method showed wide linear ranges with low limits of detection (4.5 to 34 pg g−1). The results showed that the mean recoveries of the OCPs in the soil samples were 78–107% with 3.0–6.1% intra-day relative standard deviation (RSD) and 3.5–6.9% inter-day RSD. The method has been applied for the determination of the OCPs in actual samples, and ΣOCPs ranged between 0 and 2.3 ng g−1 in seven soil samples.
研究领域:
分析化学
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环境科学
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产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）