Investigation of the mechanism of action of chemical constituents of celery seed against gout disease using network pharmacology, molecular docking, and molecular dynamics simulations.

Celery (Apium graveolens L.) has long been considered as a potential herbal medicine for the prevention and treatment of gout. However, the relationship between the chemical constituents and pharmacological activities of this medicinal plant has not been fully investigated yet. Therefore, this study aims to apply network pharmacology, molecular docking and molecular dynamics to explore the relationship between the chemical constituents of celery seed and its biological effects in the treatment of gout. Network pharmacology was built and analyzed based on the data collected from GeneCards, OMIM databases and SwissTargetPrediction web server using Cytoscape 3.9.0 software. The GO and KEGG pathway analysis of the potential targets of celery seed related to gout disease was performed using the ShinyGO v0.75 app. Molecular docking and molecular dynamics were carried out using Autodock vina and NAMD 2.14 software, respectively. The network analysis identified 16 active compounds and thirteen key targets of celery seed in the treatment of gout. The GO analysis and the KEGG pathway enrichment analysis suggested that the mechanism of action of the chemical constituents of celery seed might be involved in several pathways, notably the PI3K-Akt signaling pathway, Ras signaling pathway, and HIF-1 signaling pathway, respectively. Molecular docking and molecular dynamics revealed that apiumetin might be an important chemical that plays a key role in the pharmacological effect of celery seed. These results might be useful to select the Q-markers to control the quality of the products from celery seeds.Communicated by Ramaswamy H. Sarma.

Highly stable and durable ZnIn2S4 nanosheets wrapped oxygen deficient blue TiO2(B) catalyst for selective CO2 photoreduction into CO and CH4.

Developing new and highly stable efficient photocatalysts is crucial for achieving high performance and selective photocatalytic CO2 conversion. In this paper, we designed a one-dimensional oxygen-deficient blue TiO2(B) (BT) catalyst for improved electron mobility and visible light accessibility. In addition, hexagonal ZnIn2S4 (ZIS) nanosheets with a low bandgap and great visible light accessibility are employed to produce effective heterostructures with BT. The synthesized materials are tested for photocatalytic conversion of CO2 into solar fuels (H2, CO and CH4). The optimized composite yields 71.6 and 10.3 µmol g-1h-1 of CO and CH4, three and ten times greater than ZIS, respectively. When ZIS nanosheets are combined with a one-dimensional oxygen-deficient BT catalyst, improved electron mobility and visible light accessibility are achieved, charge carriers are effectively segregated, and the transfer process is accelerated, resulting in efficient CO2 reduction. The photocatalytic CO2 conversion activity of the constructed BT/ZIS heterostructures is very stable over a 10-day (240-hour) period, and CO and CH4 production rates increase linearly with time; however, as time goes on, the rates of H2 production decrease. Further, a five-time recycling test confirmed this, revealing essentially equal activity and selectivity throughout the experiment. As a result, CO2 to CO and CH4 conversion has high selectivity and longer durability. The band structure of the BT/ZIS composite is determined using Mott-Schottky measurement, diffuse reflectance spectroscopy, and valence band X-ray photoelectron spectroscopy. This research demonstrates a novel approach to investigating effective, stable, and selective photocatalytic CO2 reduction systems for solar-to-chemical energy conversion.

Synthesis of Pore-Wall-Modified Stable COF/TiO2 Heterostructures via Site-Specific Nucleation for an Enhanced Photoreduction of Carbon Dioxide.

Constructing stable heterostructures with appropriate active site architectures in covalent organic frameworks (COFs) can improve the active site accessibility and facilitate charge transfer, thereby increasing the catalytic efficiency. Herein, a pore-wall modification strategy is proposed to achieve regularly arranged TiO2 nanodots (≈1.82 nm) in the pores of COFs via site-specific nucleation. The site-specific nucleation strategy stabilizes the TiO2 nanodots as well as enables the controlled growth of TiO2 throughout the COFs' matrix. In a typical process, the pore wall is modified and site-specific nucleation is induced between the metal precursors and the organic walls of the COFs through a careful ligand selection, and the strongly bonded metal precursors drive the confined growth of ultrasmall TiO2 nanodots during the subsequent hydrolysis. This will result in remarkably improved surface reactions, owing to the superior catalytic activity of TiO2 nanodots functionalized to COFs through strong NTiO bonds. Furthermore, density functional theory studies reveal that pore-wall modification is beneficial for inducing strong interactions between the COF and TiO2 and results in a large energy transfer via the NTiO bonds. This work highlights the feasibility of developing stable COF and metal oxide based heterostructures via organic wall modifications to produce carbon fuels by artificial photosynthesis.

PIEZO ion channel is required for root mechanotransduction in Arabidopsis thaliana.

Plant roots adapt to the mechanical constraints of the soil to grow and absorb water and nutrients. As in animal species, mechanosensitive ion channels in plants are proposed to transduce external mechanical forces into biological signals. However, the identity of these plant root ion channels remains unknown. Here, we show that Arabidopsis thaliana PIEZO1 (PZO1) has preserved the function of its animal relatives and acts as an ion channel. We present evidence that plant PIEZO1 is expressed in the columella and lateral root cap cells of the root tip, which are known to experience robust mechanical strain during root growth. Deleting PZO1 from the whole plant significantly reduced the ability of its roots to penetrate denser barriers compared to wild-type plants. pzo1 mutant root tips exhibited diminished calcium transients in response to mechanical stimulation, supporting a role of PZO1 in root mechanotransduction. Finally, a chimeric PZO1 channel that includes the C-terminal half of PZO1 containing the putative pore region was functional and mechanosensitive when expressed in naive mammalian cells. Collectively, our data suggest that Arabidopsis PIEZO1 plays an important role in root mechanotransduction and establish PIEZOs as physiologically relevant mechanosensitive ion channels across animal and plant kingdoms.

Improvement of Hydrophilicity for Polyamide Composite Membrane by Incorporation of Graphene Oxide-Titanium Dioxide Nanoparticles.

In this work, the polyamide (PA) membrane surface has been modified by coating of nanomaterials including graphene oxide (GO) and titanium dioxide (TiO2) to enhance membrane separation and antifouling properties. The influence of surface modification conditions on membrane characteristics has been investigated and compared with a base membrane. Membrane surface properties were determined through scanning electron microscope (SEM) images and Fourier transform infrared-attenuated total reflectance (FTIR-ATR) spectroscopy. Membrane separation performance was determined through the possibility for the removal of methylene blue (MB) in water. Membrane antifouling property was evaluated by the maintained flux ratios (%) after 120 minutes of filtration. The experimental results showed that the appearance of hydrophilic groups after coating of GO and TiO2 nanocomposite materials with or without UV irradiation onto membrane surface made an improvement in the separation property of the coated membranes. The membrane flux increased from 28% to 61%; meanwhile, the antifouling property of the coated membranes was improved clearly, especially for UV-irradiated PA/GO-TiO2 membrane.