An Improved Self-Adaptive Differential Evolution with the Neighborhood Search Algorithm for Global Optimization of Bimetallic Clusters.

Global optimization of multicomponent cluster structures is considerably time-consuming due to the existence of a vast number of isomers. In this work, we proposed an improved self-adaptive differential evolution with the neighborhood search (SaNSDE) algorithm and applied it to the global optimization of bimetallic cluster structures. The cross operation was optimized, and an improved basin hopping module was introduced to enhance the searching efficiency of SaNSDE optimization.

Boosting Fast Sodium Ion Storage by Synergistic Effect of Heterointerface Engineering and Nitrogen Doping Porous Carbon Nanofibers.

Heterointerface engineering with multiple electroactive and inactive supporting components is considered an efficient approach to enhance electrochemical performance for sodium-ion batteries (SIBs). Nevertheless, it is still a challenge to rationally design heterointerface engineering and understand the synergistic effect reaction mechanisms. In this paper, the two-phase heterointerface engineering (Sb S and FeS ) is well designed to incorporate into N-doped porous hollow carbon nanofibers (Sb-Fe-S@CNFs) by proper electrospinning design.

Rational integration of spatial confinement and polysulfide conversion catalysts for high sulfur loading lithium-sulfur batteries.

Spatial confinement is a desirable successful strategy to trap sulfur within its porous host and has been widely applied in lithium-sulfur (Li-S) batteries. However, physical confinement alone is currently not enough to reduce the lithium polysulfide (LiS, 4 ≤n≤ 8, LIPSs) shuttle effect with sluggish LIPS-dissolving kinetics. In this work, we have integrated spatial confinement with a polar catalyst, and designed a three-dimensional (3D) interconnected, Co decorated and N doped porous carbon nanofiber (Co/N-PCNF) network.

Modelling free and oxide-supported nanoalloy catalysts: comparison of bulk-immiscible Pd-Ir and Au-Rh systems and influence of a TiO support.

The relative stabilities of different chemical arrangements of Pd-Ir and Au-Rh nanoalloys (and their pure metal equivalents) are studied, for a range of compositions, for fcc truncated octahedral 38- and 79-atom nanoparticles (NPs). For the 38-atom NPs, comparisons are made of pure and alloy NPs supported on a TiO2(110) slab. The relative energies of different chemical arrangements are found to be similar for Pd-Ir and Au-Rh nanoalloys, and depend on the cohesive and surface energies of the component metals.

DFT study of the structure, chemical ordering and molecular adsorption of Pd-Ir nanoalloys.

The structures and surface adsorption sites of Pd-Ir nanoalloys are crucial to the understanding of their catalytic performance because they can affect the activity and selectivity of nanocatalysts. In this article, density functional theory (DFT) calculations are performed on bare Pd-Ir nanoalloys to systematically explore their stability and chemical ordering properties, before studying the adsorption of CO on the nanoalloys. First, the structural stability of 38-atom and 79-atom truncated octahedral (TO) Pd-Ir nanoalloys are investigated.

Houttuynia cordata Thunb. volatile oil exhibited anti-inflammatory effects in vivo and inhibited nitric oxide and tumor necrosis factor-α production in LPS-stimulated mouse peritoneal macrophages in vitro.

Houttuynia cordata Thunb. (HC) is a medicinal herb that generally used in traditional Chinese medicine for treating allergic inflammation. The present study investigated the inhibitory effect of the volatile oil from HC Thunb.

The impact of development of population-based study in the biomedical field on laws and regulations: a cross-strait experience on biobank development.

Together with the completion of the Human Genome Project, biomedical research has marched into the "Post-Genomic Era." In order to take advantage of this extracted gene related information extensively and precisely so as to realize man's biological phenomena as well as the mechanism of pathogenesis, consequentially, a large scale sample collection of different geological areas and/or ethnic groups becomes necessary for the future population based genetic research of a country and, in turn, the construction of population-based genetic database (Biobank). In recent years, both mainland China and Taiwan have not only made great progress in information and computation technologies, but have also gradually taken a close look into the quality of medicine delivery.

[High-performance liquid chromatography-based determination of plasma and renal tissue cisplatin levels after subcutaneous cisplatin implantation in mice].

Objective: To develop a method for determining plasma and renal tissue concentrations of cisplatin (DDP) after subcutaneous DDP implantation in mice.

Methods: DDP was extracted from the plasma and tissue of mice receiving subcutaneous DDP implantation and reacted with sodium diethyldithiocarbamate (DDTC). The product Pt (DDTC)(2) extracted by diethyl ether was determined using high-performance liquid chromatography (HPLC) with the mobile phase of water and methanol at the ratio of 25:75 and the flow rate of 1.

[Protecting effect of brevifolin and 8,9-single-epoxy brevifolin of Phyllanthus simplex on rat liver injury].

Objective: To investigate the effect of protecting liver of brevifolin and 8,9-single-epoxy brevifolin of Phyllanthus simplex.

Method: Rats were administered with CCl4 (ip) or alcohol (ig) to establish acute or chronic liver injured model, respectively. ALT, AST and TBIL in serum were measured using colorimetric analysis to evaluate liver function.