Computational Design of Ni6@Pt1M31 Clusters for Multifunctional Electrocatalysts.

High-efficiency and low-cost multifunctional electrocatalysts for hydrogen evolution reaction (HERs), oxygen evolution reaction (OERs) and oxygen reduction reaction (ORRs) are important for the practical applications of regenerative fuel cells. The activity trends of core-shell Ni6@M32 and Ni6@Pt1M31 (M = Pt, Pd, Cu, Ag, Au) were investigated using the density functional theory (DFT). Rate constant calculations indicated that Ni6@Pt1Ag31 was an efficient HER catalyst. The Volmer-Tafel process was the kinetically favorable reaction pathway for Ni6@Pt1M31. The Volmer-Heyrovsky reaction mechanism was preferred for Ni6@M32. The Pt active site reduced the energy barrier and changed the reaction mechanism. The ORR and OER overpotentials of Ni6@Pt1Ag31 were calculated to be 0.12 and 0.33 V, indicating that Ni6@Pt1Ag31 could be a promising multifunctional electrocatalyst. Ni6@Pt1M31 core-shell clusters present abundant active sites with a moderate adsorption strength for *H, *O, *OH and *OOH. The present study shows that embedding a single Pt atom onto a Ni@M core-shell cluster is a rational strategy for designing an effective multifunctional electrocatalyst.

Anti-adhesive and antibacterial chitosan/PEO nanofiber dressings with high breathability for promoting wound healing.

Wound dressings are crucial for wound healing. Ideal wound dressings should possess many functions such as wettability, antibacterial activity and anti-adherent property to promote wound healing. In the present study solution blown spinning (SBS) technology was applied to prepare chitosan/polyethylene oxide (CS/PEO) nanofiber dressings in high efficiency. The obtained nanofiber dressings were treated with anhydrous ethanol to improve the fiber structure and enhance the functionality of the fiber dressings. The results show that the treated nanofibers had higher crystallinities and higher CS contents. The CS/PEO nanofiber dressings fabricated by using no additives and crosslinking had excellent wettability, water stability and antibacterial activity against Escherichia coli and Staphylococcus aureus reached to over 99.99 %. In addition, the CS/PEO nanofiber dressings exhibited high breathability, antioxidant activity and anti-adhesion function. The in vivo animal experiment confirmed that the nanofiber dressings enhanced cell proliferation and significantly accelerated the wound healing within 10 days. The developed CS/PEO nanofiber dressings have great potential in the clinical field of wound healing.

Facile fabrication of 3D hollow porous aminopyridine rings decorated polymeric carbon nitride for enhanced photocatalytic hydrogen evolution and dye elimination.

In consideration of energy shortages and environmental pollution, there is a critical need to develop a photocatalyst with high catalytic performance for rapid hydrogen production and efficient pollutant degradation. We synthesized a photocatalytic composite catalyst with three-dimensional (3D) porous aminopyridine rings grafted on the edge of g-C3N4 (APCN) using melamine, cyanuric acid and 4-aminopyridine as raw materials. The composite catalyst exhibited excellent photocatalytic performance for H2 production (2.44 mmol g-1h-1) and RhB degradation (97.08%) under visible light. Subsequently, a possible enhanced mechanism of the catalyst was proposed on the basis of a series of characterization and photocatalytic experiments. The 3D porous structure not only enhanced the structural stability but also increased the surface area of the APCN catalysts, which generated more exposed active sites. Moreover, the aminopyridine ring embellishment was beneficial for achieving a narrowed bandgap and charge migration and separation, which decreased the occurrence of photogenerated carrier recombination. In summary, these two structural features showed a synergistic effect to enhance the photocatalytic performance of the APCN catalyst. Finally, an integrated feasible enhanced mechanism of photocatalytic activity was elucidated according to the results of active substance capture tests, showing that O2•- played an important role during RhB degradation.

Updated Pharmacological Effects of Total Phenolic Acid on the Meningeal Microcirculation in Mice.

Objective: To investigate the effects of total phenolic acid on meningeal microcirculation in mice. Methods: A total of 84 healthy mice were randomly divided into the blank group, the model group, the positive control Western medicine group, the positive control Chinese medicine group, and the large, medium, and small doses of the total phenolic acid group, with 12 rats in each group. The corresponding drug was given to the group once a day for one week, and the litter was changed at 9 : 00 on the 6th day, and the water fasted. On the 7th day, the groups continued to be administered and weighed. After 1 h, the percentage of decrease in the perfusion of the mice was measured. Results: Compared with the blank group, the percentage of perfusion decreased significantly in the model group, indicating that the model was successful. Compared with the model group, the nimodipine group, the Naoluotong group, and the high-dose succulent total phenolic acid group were perfused. The percentage of decrease was significantly decreased (P < 0.01), and the percentage of perfusion decreased in the middle and small doses of the total phenolic acid group (P < 0.05), indicating that the percentage of mice perfused decreased by the administration of each group. Conclusion: Total phenolic acid can reduce the percentage of mean perfusion of microcirculation in animals and reduce brain damage.

Pollution levels of banned and non-banned pesticides in surface sediments from the East China Sea.

In this paper, 65 pesticides, including banned ones of DDTs, etc. and non-banned ones of iprobenfos, etc. have been detected in 31 surface sediment samples from the East China Sea (ECS) to study their pollution levels, sources, and risks. There were 8 banned pesticides (90-97%) and 10 non-banned pesticides (26-100%) presenting higher detection frequencies. For the 18 pesticides detected, their total contents ranged from 183.49 to 1363.77 ng/g dry weight (d.w.) and presented a seaward decreasing trend. Higher contents of banned pesticides were concentrated in the inner shelf close to Zhoushan Island. Iprobenfos, one of non-banned pesticides, showed the highest detection frequency (100%) and pollution level (79.14-1169.18 ng/g d.w.), indicating its continuous input in recent years. The pesticides concentrations in water calculated by the equilibrium partitioning (EqP) method were lower than the toxicological endpoint for tested aquatic invertebrates and fish, indicating ecological risks of these pesticides were at low levels.

Effect of Sargentodoxa cuneata total phenolic acids on focal cerebral ischemia reperfusion injury rats model.

OBJECTIVE: Explore the possible protective effect of Sargentodoxa cuneata total phenolic acids on cerebral ischemia reperfusion injury rats. METHODS: Focal cerebral ischemia reperfusion rats model were established by linear thrombus. Nimodipine group, Naoluotong group, the high, middle and low dose of Sargentodoxa cuneata total phenolic acids groups were given related drugs via intragastric administration before operation for seven days, once a day. At the same time sham operation group, and ischemia reperfusion group were given the same volume of physiological saline. One hour after the last administration, establish focal cerebral ischemia- reperfusion model in rats by thread method, and the thread was taken out after 2 h ischemia to achieve cerebral ischemia reperfusion injury in rats. After reperfusion for 24 h, the rats were given neurologic deficit score. The brain tissue was taken to measure the levels of IL-6, IL-1ß, TNF-α, Bcl-2, Bax, Casp-3 and ICAM-1; HE staining observed histopathological changes in the hippocampus and cortical areas of the brain; Immunohistochemistry was used to observe the expression of NGF and NF-KBp65. RESULT: Focal cerebral ischemia reperfusion rats model was copyed successed. Compared with model group, each dose group of Sargentodoxa cuneata total phenolic acids could decreased the neurologic deficit score (P < 0.05 or P < 0.01), decreased the levels of IL-6, IL-1ß, ICAM-1, TNF-α, Bax and Caspase-3 in brain tissue (P < 0.05 or P < 0.01), increased the levels of IL-10, Bcl-2, NGF in brain tissue (P < 0.05 or P < 0.01), decreased the express of NF-KBp65 in brain (P < 0.05 or P < 0.01). CONCLUSION: Sargentodoxa cuneata total phenolic acids can improve focal cerebral ischemia reperfusion injury rats tissue inflammation, apoptosis pathway, increase nutrition factor to protect the neurons, reduce the apoptosis of nerve cells, activate brain cells self-protect, improve the histopathological changes in the hippocampus and cortical areas of the brain, reduce cerebral ischemia reperfusion injury.

Distribution, composition, and ecological risk of surface sedimental polychlorinated naphthalenes in the East China Sea.

To reveal the pollution levels and estimate the ecological risks of polychlorinated naphthalenes (PCNs) in the East China Sea (ECS), seventy-five surface sediment samples were collected and analyzed by high-resolution mass spectrometry. PCN contents ranged from below detection limit to 261.71 ng/g dry weight (d.w.), with an integrally seaward decreasing trend. Mono-, tetra-, and hepta-CNs were the dominant homologs, and CN-2, CN-73, and CN-75 were the major individual components in most samples. CN-2 presented an obvious boundary with lower contents (16.48 ±â€¯3.40 ng/g d.w.) in the center of the study area and higher contents (50.88 ±â€¯10.39 ng/g d.w.) in the north and south of the boundary. The toxic equivalent (TEQ) contents ranged from 0 to 0.212 ng/g, and CN-2 and CN-73 were the predominant contributors to the TEQ.

Pollution levels of DDTs and their spatiotemporal trend from sediment records in the Southern Yellow Sea, China.

In order to study the pollution levels and spatiotemporal trend of Dichlorodiphenyltrichloroethanes (DDTs) in the Southern Yellow Sea (SYS), thirty-two surface sediment samples and a sediment core have been analyzed, and our results have been compared with previous reports. DDTs contents in our samples ranged from below detection limit to 5.1ng/gdry weight (d.w.), which presented lower ecological risks in the SYS. Surface sediment results show a seaward increasing trend with high values in the northern region of the central basin of the SYS. Our reconstructed core record and historical data from previous reports reveal an increasing trend from 1905 to 1955 but a decline trend since 1985 for DDTs, which is consistent of the production, usage and banning of DDTs in China. The source identification, based on (DDE+DDD)/DDTs, suggested that aged DDTs were the major contributor, though there were some inputs of fresh DDTs from the usage of 1,1-bis(p-Chlorophenyl)-2,2,2-trichloroethanol (dicofol).