Machine-learning-driven optical immunosensor based on microspheres-encoded signal transduction for the rapid and multiplexed detection of antibiotics in milk

Food Chemistry, Journal Year: 2023, Volume and Issue: 437, P. 137740 - 137740

Published: Oct. 14, 2023

Language: Английский

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A Strategy Comprehensively and Quickly Identifies the Herbal Composition and Chemical Constituents in Yixishu Lotion by Molecular Networking

Biomedical Chromatography, Journal Year: 2025, Volume and Issue: 39(5)

Published: April 2, 2025

The identification of species is a crucial component the Chinese patent medicine (CPM) quality evaluation system. Nevertheless, intricate and varied chemical compositions different herbs pose persistent challenge to this study. This study proposes strategy combining high-resolution mass spectrometry with molecular networking (MN) data processing tools comprehensively characterize compounds in Yixishu lotion (YXSL) identify composition. First, collected by HPLC-Q-TOF-MS were systematically visualized analyzed using MN. Second, MN was employed rapidly classify all based on their similarity structures, facilitating swift classification main components medicines compound preparations. Finally, herbal composition formulation determined various literature. Two hundred twenty sources YXSL preliminarily identified, including 14 matrine alkaloids assigned SFR, 16 coumarins CF, 43 isopentenyl flavonoids belonging EF, 9 benzylisoquinoline alkaloids, 5 protoberberines, 10 tetrahydroprotoberberines 3 furanoquinoline from PCC, 44 phenolic compounds, 76 other compounds. provides solid foundation for offers method identifying CPMs.

Language: Английский

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Urea-based deep eutectic solvents enzyme system for high efficiency extraction of alkaloids and flavonoids in plants: Zanthoxylum nitidum (Roxb.) DC. as a case

Microchemical Journal, Journal Year: 2024, Volume and Issue: 199, P. 109964 - 109964

Published: Jan. 12, 2024

Language: Английский

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A stepwise strategy integrating metabolomics and pseudotargeted spectrum–effect relationship to elucidate the potential hepatotoxic components in Polygonum multiflorum

Frontiers in Pharmacology, Journal Year: 2022, Volume and Issue: 13

Published: Aug. 26, 2022

Polygonummultiflorum (PM) Thunb., a typical Chinese herbal medicine with different therapeutic effect in raw and processed forms, has been used worldwide for thousands of years. However, hepatotoxicity caused by PM raised considerable concern recent decades. The exploration toxic components great challenge long time. In this study, we developed stepwise strategy integrating metabolomics pseudotargeted spectrum-effect relationship to illuminate the potential hepatotoxic PM. First, 112 were tentatively identified using ultraperformance liquid chromatography-quadrupole-time-of-flight-mass spectrometry (UPLC-Q-TOF-MS). Second, based on theory toxicity attenuation after processing, combined UPLC-Q-TOF-MS method plant screen out reduced differential between Third, proposed MS 16 was established applied 50 batches quantitative analysis. Fourth, hepatocytotoxicity investigated two hepatocytes, LO2 HepG2. Last, three mathematical models, gray relational analysis, orthogonal partial least squares back propagation artificial neural network, further identify key variables affecting combining spectral information hepatocytes results suggested that may have degrees hepatotoxicity, which lead through synergistic effects. Three (emodin dianthrones, emodin-8-O-β-D-glucopyranoside, 14-17) screened significant could be as markers well studies mechanism toxicity. Above all, study an effective explore material basis but also provides reference in-depth investigations

Language: Английский

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Phytochemical analysis and in vitro and in vivo antioxidant properties of Plagiorhegma dubia Maxim as a medicinal crop for diabetes treatment

Arabian Journal of Chemistry, Journal Year: 2023, Volume and Issue: 16(6), P. 104788 - 104788

Published: March 9, 2023

In traditional medicine, Plagiorhegma dubia Maxim (PD) is used to treat diabetes, irritability, insomnia, high fever, and coma. this study, identify the components in PD, we first performed three preliminary phytochemical tests, which were all positive for presence of alkaloids. Next, evaluated total alkaloid content 13 different vitro antioxidant experiments solvent extracts PD. According results, methanol extract was selected further research. Ultra-performance liquid chromatography with electrospray ionization Orbitrap mass spectrometry 41 compounds extract. Thirty-eight these alkaloids, main magnoflorine, berberrubine, betaine. Addition cooking oil increased stability against oxidation greatly reduced peroxide value. Cell viability oral acute toxicity studies mice indicated that relatively non-toxic. Histopathological examination biochemical analysis showed protective liver damage rats induced by d-galactosamine. The also a good antidiabetic effect streptozotocin-induced diabetes rats, where it lowered blood sugar levels protected vital organs damage. Lipid profile parameters oxidative stress improved. therapeutic effects towards attributed ability resist stress. Our results show alkaloid-rich PD potential candidate treatment diseases associated imbalances. This understanding hepatoprotective activity provides new insight its use as substitute Coptis chinensis establishes foundation development an economic crop.

Language: Английский

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Research on the quality markers of antioxidant activity of Kai-Xin-San based on the spectrum–effect relationship

Frontiers in Pharmacology, Journal Year: 2023, Volume and Issue: 14

Published: Dec. 27, 2023

Background: Kai-Xin-San (KXS) is one of the classic famous traditional Chinese medicine prescriptions for amnesia, which has been applied thousands years. Modern pharmacological research found that KXS significant therapeutic efficacy on nervous system diseases, related to its antioxidant activity. However, material basis and quality markers (Q-makers) have not studied. Objective: The objective this study explore Q-makers activity based spectrum-effect relationship. Methods: Specifically, metabolites in extracts were identified by UPLC-Q-Exactive Orbitrap MS/MS. fingerprint profile established high-performance liquid chromatography (HPLC) seven common peaks identified. Meanwhile, 2, 2-diphenyl-1-picrylhydrazyl (DPPH) test was used evaluate free radical scavenging ability KXS. relationship between HPLC DPPH preliminarily examined Pearson correlation analysis, grey relation analysis (GRA), orthogonal partial least squares discrimination (OPLS-DA). Further, effect validated through human neuroblastoma (SH-SY5Y) cells experiment. Results: results showed 103 from KXS, similarity values twelve batches greater than 0.900. At same time, 8, 1, 14, 17, 18, 24, 16, 21, 15, 13, 6, 5, 3 positively correlated with DPPH. Combined GRA OPLS-DA, 3, 5 (Sibiricose A6), 13 (Ginsenoside Rg1), 24 fingerprints screen out as potential effect. Besides, CCK-8 assay remarkably reduced oxidative damage SH-SY5Y caused H2O2. decreased significantly after knocked out. Conclusion: In conclusion, successfully MS/MS, analyzed These are beneficial clarify provide control standards new products development.

Language: Английский

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Investigation of the material basis of Xiexin Tang to alleviate type 2 diabetes mellitus based on spectrum-effect analysis by UPLC-Q-TOF/MS

Journal of Chromatography B, Journal Year: 2023, Volume and Issue: 1221, P. 123691 - 123691

Published: March 26, 2023

Language: Английский

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Screening of Key Components for Melanogenesis Inhibition of Polygonum cuspidatum Extract Based on the Spectrum–Effect Relationship and Molecular Docking

Molecules, Journal Year: 2024, Volume and Issue: 29(4), P. 857 - 857

Published: Feb. 15, 2024

Polygonum cuspidatum (PC) extract has been listed in the “Catalog of Used Cosmetic Ingredients (2021 Edition)”, which can inhibit melanogenesis, thus exerting a whitening effect, and widely used cosmetics. However, there are currently no quality standards for PC cosmetics, bioactive components associated with anti-melanogenesis remain unclear. In view this, present study was first to investigate spectrum-effect relationship between fingerprints melanogenesis inhibition. Ten batches were established by HPLC. Pearson’s correlation analysis, gray analysis (GRA) orthogonal partial least squares regression (OPLSR) screen out resveratrol, emodin physcion as main active ingredients using inhibition tyrosinase B16F10 cells pharmacological index. Then, inhibitory effects above three verified melanin content assay cells. The interaction small molecules proteins investigated molecular docking method, it confirmed quantitative real-time PCR (qRT-PCR) that significantly down-regulated transcript levels melanogenesis-related factors. conclusion, this general model combining HPLC fingerprinting also analyzed spectrum–effect extract, provided theoretical support control

Language: Английский

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Integration of High-Resolution LC-Q-TOF Mass Spectrometry and Multidimensional Chemical−Biological Analysis to Detect Nanomolar-Level Acetylcholinesterase Inhibitors from Different Parts of Zanthoxylum nitidum

Journal of Agricultural and Food Chemistry, Journal Year: 2024, Volume and Issue: 72(31), P. 17328 - 17342

Published: July 24, 2024

Zanthoxyli radix is a popular tea among the elderly, and it believed to have positive effect on Alzheimer's disease. In this study, highly effective three-step strategy was proposed for comprehensive analysis of active components biological functions Zanthoxylum nitidum (ZN), including high-resolution LC-Q-TOF mass spectrometry (HRMS), multivariate statistical heterogeneity (MSAH), experimental virtual screening bioactivity (EVBA). A total 117 compounds were identified from root, stem, leaf ZN through HRMS. Bioactivity assays showed that order acetylcholinesterase (AChE) inhibitory activity strong weak root > stem leaf. Nitidine, chelerythrine, sanguinarine found be main differential by OPLS-DA. The IC50 values three are 0.81 ± 0.02, 0.14 0.01, 0.48 0.01 μM respectively, indicating they potent high-quality AChE inhibitors. Molecular docking pi-pi T-shaped interactions pi-lone pairs played important roles in inhibition. This study not only explains function alleviating disease some extent, but also lays foundation development ZN.

Language: Английский

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Pancreatic beta cell regenerative potential of Zanthoxylum chalybeum Engl. Aqueous stem bark extract

Journal of Ethnopharmacology, Journal Year: 2023, Volume and Issue: 320, P. 117374 - 117374

Published: Nov. 7, 2023

Zanthoxylum chalybeum Engl. is endemic to Africa and has been used traditionally treat diabetes mellitus. Moreover, its pharmacological efficacy confirmed experimentally using in vitro vivo models of diabetes. However, the effects Z. extracts major constituent compounds on beta cell islet regeneration are not clear. Further, mechanisms associated with observed antidiabetic at level fully elucidated.We determined regenerative aqueous stem bark extract, identified chemical explored their putative action.Phytochemical profiling extract was achieved ultra high-performance liquid chromatography hyphenated high-resolution mass spectrometry. Thereafter, molecular interactions targets were evaluated via docking. In vitro, viability, proliferation, apoptosis oxidative stress investigated RIN-5F cells exposed palmitate or streptozotocin. vivo, pancreas tissue sections from streptozotocin-induced diabetic male Wistar rats treated stained for insulin, glucagon, pancreatic duodenal homeobox protein 1 (Pdx-1) Ki-67.Based ligand target docking diosmin as a dual specificity tyrosine-phosphorylation-regulated kinase 1A (Dyrk1A) inhibitor. augmented viability proliferation while palmitate-pre-treated cells, significantly increased activity after 72 h. although morphometric analysis showed decreased size density, observation Pdx-1 Ki-67 immunoreactivity extract-treated islets suggests that mild potential mediated by proliferation.Overall, mitogenic robust enough elicit sufficient recovery functional our model, context sustained milieu. identification Dyrk1A inhibitor merits further inquiry into attendant interactions.

Language: Английский

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