scholarly journals Differential Analysis of Serum Principal Components Treated with Compound Sophora Decoction and Related Compounds Based on High-Resolution Mass Spectrometry (HRMS)

2020 ◽  
Vol 2020 ◽  
pp. 1-17
Author(s):  
Wanjin Sun ◽  
Junjie Zhang ◽  
Conghui Zhou ◽  
Bin Yan ◽  
Quan Cai ◽  
...  

Objective. To compare the differences in the serum principal components in ulcerative colitis- (UC-) induced rats, treated with compound Sophora decoction, matrine, oxymatrine monomer mixture, and indirubin monomer, and to provide a modern scientific basis for elucidating the clinical efficacy of compound Sophora decoction for the treatment of UC. Methods. The serum samples of rats from each group were obtained after drug administration, and the serum principal components of each group were analyzed by high-resolution mass spectrometry. Agilent Eclipse XDB C18 chromatographic column (100 mm × 2.1 mm, 3.5 m) was used for separation. The mobile phase was water (A) and methanol (B) (0.1% formic acid) gradient elution, 0–3 min (B: 20%–40%), 3–10 min (B: 40%–54%), 10–25 min (B: 54%), 25–35 min (B: 54%–70%), 35–45 min (B: 70%–80%), 45–50 min (B: 80%), 50–60 min (B: 80%–100%), 70–72 min (B: 100%–20%), and 72–77 min (B: 20%); flow rate, 300 μL/min; column temperature, 40°C; and injection volume, 10 μL. ESI source was selected and scanned in the positive and negative ion modes. The scanning range was 70–1500 m/z; ion-source gas 1 (GS1): 55 psi; ion-source gas 2 (GS2): 60 psi; CUR: 30 psi; ion-source temperature (TEM): 550°C; ion-source voltage (ISVF) : 5500 V/−4500 V; decluster voltage (DP): 100 V; collision energy (CE): 35 V/−35 V; collision energy gain (CES) : 15 V/−15 V; and data acquisition mode: IDA. After the data from each group were imported into MarkView 1.3, the molecular weights and retention times of different substances were obtained and qualitatively analyzed by ChemSpider and PeakView 2.0. Results. In the negative ion mode, 26 differential compounds were identified in the compound Sophora decoction group (FFKST) compared to the model group (M), and 18 differential compounds were identified in the matrine and oxymatrine group (KST) compared to the model group (M). In the positive ion mode, 11 and 7 differential compounds were identified in the compound Sophora decoction group (FFKST) and the matrine and oxymatrine group (KST) compared to the model group (M), respectively. The responses of all compounds in each group were compared with each other. As the different principal component substances in the indirubin group (DYH) displayed little correlation with other groups, the different components in this group were not researched thoroughly. Conclusion. By comparing the differences in the serum principal components from each administration group, we found that the FFKST group exhibited enhanced synthesis of the serum principal components; however, the compound doses of matrine and oxymatrine monomers did not exhibit the same changes in the serum principal components of UC-induced rats. Finally, the traditional Chinese medicine compound is more advantageous than monomers.

1999 ◽  
Vol 06 (03n04) ◽  
pp. 307-312 ◽  
Author(s):  
J. VAN DE WALLE ◽  
R. J. TARENTO ◽  
P. JOYES

A study of a Au–U liquid alloy ion source (LAIS) where uranium is enriched in its lighter element (20% 235U, 80% 238U) has been performed by high resolution mass spectrometry. Monoatomic species Au+, Au2+, U2+, U3+ and polyatomic species [Formula: see text], [Formula: see text], Au n U + are observed. The monoatomic results are well explained by the Kingham postionization process. [Formula: see text] and Au n U + species present an interesting odd–even effect characteristic of monovalent elements. The main result of this preliminary letter is a heteroisotope anomaly which appears in [Formula: see text], [Formula: see text] and [Formula: see text] emission where only homoisotopes are detected. A similar phenomenon was reported for [Formula: see text] and [Formula: see text] in a previous work and was attributed to a higher state of excitation of emitted heteroisotope aggregates which explode as they fly to the collector.1,2


2019 ◽  
Vol 25 (5) ◽  
pp. 419-427
Author(s):  
Changchuan Guo ◽  
Ke Li ◽  
Sheng Xing ◽  
Hua Sun ◽  
Feng Shi ◽  
...  

In this work, a method combining ultra-high performance liquid chromatography and hybrid quadrupole-Orbitrap high-resolution mass spectrometry (HR-MS) was developed and validated for use in the simultaneous screening, identification, and quantification of 21 synthetic dyes in herbal medicines. To optimize the chromatographic conditions, we used a combined Full mass scan and data-dependent MS/MS (Full MS/dd-MS2) approach in positive and negative ion mode. Under this mode, selected ions with given fragmentation energy were subjected to a dd-MS2 scan following a Full MS scan. The selectivity of this method was effectively improved using 70,000 full width at half maximum mass resolution and narrow mass window (typically 5 ppm), and a single injection was sufficient for simultaneous identification and quantification of 21 synthetic dyes within 10 min. The combined method was fully validated and complies with all criteria for selectivity, sensitivity, calibration curve linearity, accuracy, precision, recovery, matrix effect, and stability. All analytes showed excellent linear relationships as all the coefficients of determination ( r2) are greater than 0.9978 over wide ranges of concentrations (e.g. 1.0–500 ng/mL for sunset yellow). The validated method was employed to detect synthetic dyes in herbal medicines and was demonstrated to provide a reliable technical basis for drug regulation and public health protection.


2020 ◽  
Author(s):  
Jie Cheng ◽  
Yuchen Tang ◽  
Baoquan Bao ◽  
Ping Zhang

<p><a></a><a></a><a></a><a><b>Objective</b></a>: To screen all compounds of Agsirga based on the HPLC-Q-Exactive high-resolution mass spectrometry and find potential inhibitors that can respond to 2019-nCoV from active compounds of Agsirga by molecular docking technology.</p> <p><b>Methods</b>: HPLC-Q-Exactive high-resolution mass spectrometry was adopted to identify the complex components of Mongolian medicine Agsirga, and separated by the high-resolution mass spectrometry Q-Exactive detector. Then the Orbitrap detector was used in tandem high-resolution mass spectrometry, and the related molecular and structural formula were found by using the chemsipider database and related literature, combined with precise molecular formulas (errors ≤ 5 × 10<sup>−6</sup>) , retention time, primary mass spectra, and secondary mass spectra information, The fragmentation regularities of mass spectra of these compounds were deduced. Taking ACE2 as the receptor and deduced compounds as the ligand, all of them were pretreated by discover studio, autodock and Chem3D. The molecular docking between the active ingredients and the target protein was studied by using AutoDock molecular docking software. The interaction between ligand and receptor is applied to provide a choice for screening anti-2019-nCoV drugs.</p> <p><b>Result</b>: Based on the fragmentation patterns of the reference compounds and consulting literature, a total of 96 major alkaloids and stilbenes were screened and identified in Agsirga by the HPLC-Q-Exactive-MS/MS method. Combining with molecular docking, a conclusion was got that there are potential active substances in Mongolian medicine Agsirga which can block the binding of ACE2 and 2019-nCoV at the molecular level.</p>


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