Publications by authors named "Shao-Wen Hu"
Myasthenia gravis is a major disease in the context of an ageing society, and the discovery of effective herbal compound and herbal active ingredients is a highly promising direction for the treatment of myasthenia gravis. In this study, we selected shujiao, dried ginger and ginseng from the compound ingredients through a network pathology approach. The three ingredients were used to obtain drug targets in Traditional Chinese Medicine Systems Pharmacology (TCMSP), HERB and BATMAN-TCM data and intersected with the disease targets of myasthenia gravis.
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- The study explores the behavior of 1-alkyl-3-methylimidazolium chloride ionic liquids when exposed to chlorine gas, specifically looking into the formation of certain anions.
- Using advanced computational techniques, researchers found that the creation of certain anions occurs without significant energy barriers and that substitution of chlorine occurs more readily on specific parts of the molecule.
- Various spectroscopic methods confirmed the presence of both Cl(3)(-) and HCl(2)(-) anions, as well as substituted ionic liquid cations, indicating that longer side chains on the ionic liquids somewhat protect against chlorine substitution.
In our previous work (J. Phys. Chem.
View Article and Find Full Text PDFThe mechanism of the gas-phase reaction UF 6 + H 2O --> UOF 4 + 2HF is explored using relativistic density functional theory calculations. Initially, H 2O coordinates with UF 6 to form a 1:1 complex UF 6.H 2O.
View Article and Find Full Text PDF[Spectroscopic research on the interaction of 2-(4-dimethylaminophenyl)-5-fluoro-6-(morpholin-4-yl)-1H-benzimidazole and calf thymus DNA].
Guang Pu Xue Yu Guang Pu Fen Xi
October 2005
Article Synopsis
- The compound 2-(4-dimethylaminophenyl)-5-fluoro-6-(morpholin-4-yl)-1H-benzimidazole (1) can act as a tertiary base, able to bind up to three protons, as shown by UV-Vis spectra at various pH levels.
- Through analysis, the three protonation constants of compound 1 were calculated, with values around 4.96, 5.72, and 7.95.
- The compound shows strong interaction with calf thymus DNA at pH 3.40, which indicates its potential use for quantitative DNA detection in very low concentrations (10^-8 to 1.2 x 10^-6 mol x
Article Synopsis
- Gas-phase decomposition of formic acid leads to the production of CO + H2O and CO2 + H2, with a notable disparity in the CO/CO2 ratio compared to expected activation energy values.
- The research used advanced computational methods to investigate how the presence of H2 affects the decomposition pathways of formic acid.
- Findings indicate that H2 promotes the formation of CO + H2O over CO2 + H2 by facilitating the reduction of formic acid to formaldehyde, which then further dissociates into CO + H2, while also decreasing the presence of conformers necessary for decarboxylation.