Project description:Lung transcriptome sequencing anlysis in LPS-induced ALI model rats (Male Sprague-Dawley rats) after treatment with Ma Xing Shi Gan Decoction, In summary, our study suggests that MXSG inhibits viral invasion, proliferation, and mitigation of virus-induced lung injury, which may be a key mechanism of its therapeutic effect on COVID-19. These results provide experience for the treatment of infectious diseases and lung injury. we dissected the chemical components of MXSG by liquid chromatography-mass spectrometry (LC-ESI-MS/MS) and analyzed the intervention pathways of MXSG based on components detected through network pharmacology. At the same time, the therapeutic effect of MXSG on COVID-19 was explained through published articles, and the relevant regulatory mechanism was proposed. Then, in this study, the regulatory effect of MXSG on inflammatory lung injury was explorated through transcriptome results.
Project description:MIADB: a cumulative collection of 172 tandem mass spectrometry (MS/MS) of a vast array of monoterpene indole alkaloids. Samples were analyzed using an Agilent LC-MS system composed of an Agilent 1260 Infinity HPLC coupled to an Agilent 6530 ESI-Q-TOF-MS operating in positive mode. A Sunfire analytical C18 column (150 × 2.1 mm; i.d. 3.5 μm, Waters) was used, with a flow rate of 250 μL/min and a linear gradient from 5% B (A: H2O + 0.1% formic acid, B: MeOH) to 100% B over 30 min. ESI conditions were set with the capillary temperature at 320 °C, source voltage at 3.5 kV, and a sheath gas flow rate of 10 L/min. The divert valve was set to waste for the first 3 min. There were four scan events: positive MS, window from m/z 100−1200, then three data-dependent MS/MS scans of the first, second, and third most intense ions from the first scan event. MS/MS settings were three fixed collision energies (30, 50, and 70 eV), default charge of 1, minimum intensity of 5000 counts, and isolation width of m/z 2. In the positive-ion mode, purine C5H4N4 [M + H]+ ion (m/z 121.050873) and the hexakis(1H,1H,3H-tetrafluoropropoxy)-phosphazene C18H18F24N3O6P3 [M + H]+ ion (m/z 922.009 798) were used as internal lock masses. Full scans were acquired at a resolution of 11 000 (at m/z 922). A permanent MS/MS exclusion list criterion was set to prevent oversampling of the internal calibrant.
Project description:The concentrations of twenty kinds of hormones in the follicular fluid were detected by high-performance liquid chromatography–mass spectrometry (HPLC-MS/MS). An Agilent 1200 series high-performance liquid chromatography (HPLC) instrument (Agilent, USA) was utilized. A PAL autosampler (CTC, Swiss) and a Gemini-NX-C18 column (2.0 mm×50 mm, 3 μm, Waters, USA) were used. The ion source was an API-4000 quadrupole electrostatic field orbit trap high-resolution mass spectrometer (Applied Biosystems, USA). The scanning mode was multiple reaction monitoring (MRM) (Agilent-1200 LC system coupled to an API400 mass spectrometer).
Project description:<p>This study presents untargeted LC–MS/MS metabolomics and lipidomics datasets comparing CON and MAL experimental groups acquired in both positive and negative electrospray ionization modes. For quality control, a pooled QC sample was prepared by mixing equal volumes of all study samples and was analyzed alongside extracted samples. Separation was performed using an Agilent Infinity 1200 UPLC system coupled to an Agilent 6540 Quadrupole Time-of-Flight mass spectrometer (Q-TOF) in data-dependent acquisition (DDA) mode over an m/z range of 50–1000. Chromatographic separation used an Agilent Poroshell column (2.1 × 100 mm, 1.9 μm) with mobile phases (A) 0.1% formic acid in water and (B) 0.1% formic acid in acetonitrile, at 0.4 mL/min, 30 °C, and 10 μL injection volume. The ESI source settings were: gas temperature 250 °C, gas flow 10 L/min, nebulizer 35 psi, sheath gas 250 °C at 11 L/min, capillary 3.5 kV, fragmentor 75 V, and oct RF 750 V; acquisition rate was 2 spectra/s. MS/MS fragmentation used a rolling collision energy of 10–20–40 V. Raw Q-TOF data were processed using Progenesis QI to generate aligned feature tables (m/z, retention time, and intensity; default sensitivity level 3; S/N ≥ 3). Internal standards were removed prior to downstream analysis. Putative annotation was performed using an in-house PMDB combined with HMDB (mass error ≤ 10 ppm; MS/MS match ≥ 35). Features were filtered using a 50% rule, missing values were imputed with minimum values, intensities were sum-normalized, features with QC RSD > 30% were removed, and the matrix was log10-transformed. Statistical analysis included OPLS-DA using the R package ropls (v1.6.2) and significance assessment using VIP > 1 and Student’s t-test (p < 0.05). The deposited files include raw vendor data (.d) for both ion modes and the processed data matrices used for analysis.</p>