Observational study on the potential mechanism of Sanao decoction in the treatment of asthma based on network pharmacology and molecular docking.

Bronchial asthma (BA) is a chronic respiratory disease closely related to immune system dysregulation. Traditional Chinese medicine has long adopted the strategy of Sanao decoction in the treatment of bronchial asthma. However, due to the multi-target and multi-pathway characteristics of Chinese herbal medicine, we are still unclear about the specific mechanism of Sanao decoction in treating bronchial asthma. To investigate the mechanism of action of Sanao decoction in the treatment of BA using a network pharmacology approach and preliminary validation by molecular docking technology. Traditional Chinese medicine systems pharmacology database and analysis platform and UniProt databases were used to search the active ingredients and targets of Sanao decoction, and BA-related targets were screened according to GeneCards and online Mendelian inheritance in man database databases. The intersection targets were imported into the STRING database to construct a protein-protein interaction network, and Cytoscape 3.9.1 software was used to screen out hub genes. This study also constructed a "drug-ingredient-target" visual network diagram. Gene Ontology and Kyoto Encyclopedia of Genomes enrichment analysis was performed on targets in the protein-protein interaction network using the ClusterProfiler package in R, with a P value < .05. Autodock software was used for molecular docking to complete the preliminary verification of core components and targets. A total of 73 active compounds and 308 targets of Sanao decoction, including 1640 BA-related disease targets, were retrieved from mainstream databases. Gene Ontology analysis and Kyoto encyclopedia of genes and genomes enrichment analysis suggested that Sanao decoction plays a role in the treatment of BA through signaling pathways such as PI3K-Akt, MAPK, and IL-17 signaling pathway. The 9 core goals represent the main elements related to Sanao decoction in the treatment of BA. Subsequently, the molecular docking results showed that most of the active compounds of Sanao decoction have strong binding efficiency with the hub gene. Sanao decoction has a key impact on BA through multiple channels. In summary, this intricate network reflects the potential of Sanao decoction in treating BA, a multifactorial disease. In addition, this study laid the foundation for further in vivo and in vitro experimental research and expanded the clinical application of Sanao decoction.

Surface Modulation and Chromium Complexation: All-in-One Solution for the Cr(VI) Sequestration with Bifunctional Molecules.

The sulfidation of zero valent iron (ZVI) to an Fe@FeSx (S-ZVI) composite has been intensively explored in the ZVI field. Yet, further benefits from the FeSx coating layer are seldom realized, especially those effectively using its intrinsic physical and chemical properties for elaborate design. Here, we demonstrate that in a traditional Cr(VI) sequestration reaction, the FeSx layer displays a great utility in immobilizing molecules containing hydroxyl groups (-OH) and hence, attracting Cr(VI) complexes chelated with carboxyl organics (RCOOH). Such intermolecular attraction readily promotes the diffusion of the Cr(VI) complexes to the S-ZVI surface, affording a higher reaction rate for the Cr(VI) sequestration process. In addition, the above mechanism was used to guide a rational selection of molecules incorporating both hydroxyl and carboxyl functional groups with a proper ratio and thereby, a significantly improved reaction efficiency was achieved. Furthermore, the FeSx phase was revealed to be consumed in the reaction, acting as a supplementary reductant. This work is the first to unveil the relationship between molecules with specific functionalization and the FeSx phase, providing a general rule in choosing appropriate reaction media for Cr(VI) sequestration and related reactions.

The sequestration of Cr(VI) by zero valent iron under a non-uniform magnetic field: An interfacial dynamic reaction.

A non-uniform magnetic field was applied to sequester Cr(VI) with microscale zero-valent iron (ZVI). When the non-uniform magnetic field was applied, the average removal rate of Cr(VI) was increased and the lag phase was shortened with the increasing of magnetic field intensity. The instantaneous rate was fast at the beginning and about 40% of the Cr(VI) was sequestered rapidly when ZVI was added into the magnetic field system. Later, the sequestration rate of Cr(VI) was reduced and remained stable with time until Cr(VI) was removed completely. The instantaneous removal rate was positively correlated with ZVI dosage and the rate per unit mass of ZVI was 0.455 mg/(L·min·gZVI). The constant rate stage was not affected by the initial and the residual concentration of Cr(VI). In the case where no magnetic field was applied, the removal of Cr(VI) is a process in which ZVI is depassivated and its reactivity is restored continuously. The promotion of a magnetic field on the removal of Cr(VI) is mainly due to increasing the role of adsorbed reducing species of Fe2+ or Fe0 on the ZVI surface. Aging of ZVI under a magnetic field could enhance the release rate of Fe2+ in the initial 5 min though the remanence of this kind of ZVI had little effect on the enhancement of the sequestration of Cr(VI).