Discussion on the mechanism of Lingguizhugan Decoction in treating hypertension based on network pharmacology and molecular simulation technology.

To explore the mechanism of Lingguizhugan Decoction in treating hypertension based on network pharmacology and molecular simulation. The active ingredients and potential targets were screened by the Systematic Pharmacological Analysis Platform of Traditional Chinese Medicine (TCMSP). Hypertension-related targets were obtained from OMIM and GeneCards databases. Common targets between drug and hypertension were screened in the Venny platform. A protein-protein interaction (PPI) network was constructed in the STRING database using intersection targets. Key targets in PPI network were analyzed by Cytoscape. R language program was used for Gene Ontology (GO) functional annotation and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis. Finally, the binding abilities of the main active ingredients to critical targets were verified by molecular simulation. Naringenin, quercetin, kaempferol, and ß-sitosterol in Lingguizhugan Decoction, and potential targets such as STAT3, AKT1, TNF, IL6, JUN, PTGS2, MMP9, CASP3, TP53, and MAPK3, were screened out. KEGG Enrichment analysis revealed that the common targets of Lingguizhugan Decoction and hypertension are mainly involved in the lipid and atherosclerosis signaling pathway, AGE-RAGE signaling pathway in diabetic complications, fluid shear stress and atherosclerosis, and IL17 signaling pathway. The molecular simulation results showed that naringenin-MAPK3, quercetin-MMP9, quercetin-PTGS2, and quercetin-TP53 were the top four in the docking scores. Naringenin-MAPK3 and quercetin-MMP9 were stable, with binding free energies of -27.97 ± 1.41 kcal/mol and -21.15 ± 3.17 kcal/mol, respectively. The possible mechanism of Lingguizhugan Decoction in treating hypertension is characterized of multi-component, multi-target, and multi-pathway.Communicated by Ramaswamy H. Sarma.

Effects of nitrogen addition on microbial residues and their contribution to soil organic carbon in China's forests from tropical to boreal zone.

Atmospheric nitrogen (N) deposition has a significant influence on soil organic carbon (SOC) accumulation in forest ecosystems. Microbial residues, as by-products of microbial anabolism, account for a significant fraction of soil C pools. However, how N deposition affects the accumulation of soil microbial residues in different forest biomes remains unclear. Here, we investigated the effects of six/seven-year N additions on microbial residues (amino sugar biomarkers) in eight forests from tropical to boreal zone in eastern China. Our results showed a minor change in the soil microbial residue concentrations but a significant change in the contribution of microbial residue-C to SOC after N addition. The contribution of fungal residue-C to SOC decreased under low N addition (50 kg N ha-1 yr-1) in the tropical secondary forest (-19%), but increased under high N addition (100 kg N ha-1 yr-1) in the temperate Korean pine mixed forest (+21%). The contribution of bacterial residue-C to SOC increased under the high N addition in the subtropical Castanopsis carlesii forest (+26%) and under the low N addition in the temperate birch forest (+38%), respectively. The responses of microbial residue-C in SOC to N addition depended on the changes in soil total N concentration and fungi to bacteria ratio under N addition and climate. Taken together, these findings provide the experimental evidence that N addition diversely regulates the formation and composition of microbial-derived C in SOC in forest ecosystems.

Facile preparation of a polydopamine-based monolith for multiple monolithic fiber solid-phase microextraction of triazine herbicides in environmental water samples.

A new multiple monolithic fiber solid-phase microextraction using a polydopamine-based monolith as the extraction medium is proposed. The monolith was synthesized by facile in situ copolymerization of N-methacryldopamine and dual cross-linkers (divinylbenzene/ethylenedimethacrylate) in the presence of N,N-dimethylformamide. The effect of the contents of N-methacryldopamine and porogen in the polymerization mixture on the extraction performance was investigated thoroughly. A series of characterization studies was performed to validate the structure and properties of the monolith. The prepared multiple monolithic fibers were used for the extraction of triazine herbicides in environmental water samples. After the optimization of the extraction parameters, a convenient, sensitive, cost-effective, and environmentally friendly method for the determination of trace triazine herbicides in water samples was developed by coupling multiple monolithic fibers solid-phase microextraction with high-performance liquid chromatography and diode array detection. The results indicated that the limits of detection and quantification for the target compounds were 0.031-0.14 and 0.10-0.45 µg/L, respectively. Good precision and reproducibility were obtained with the relative standard deviations below 10%. The developed method was applied to the analysis of the triazine herbicides in different water samples (lake, river, and farmland waters). The recoveries of the method were in the range between 79.6 and 117%.