Efficient Large-Scale Virtual Screening Based on Heterogeneous Many-Core Supercomputing System.

With the rapid growth of virtual drug data- bases, the need for efficient molecular docking tools for large-scale screening is also growing. We have developed Vina@QNLM 2.0, a novel molecular docking system that leverages the logical processing units and computational processing arrays of heterogeneous multicore architecture processors.

Effects of Pine Needle Extracts on the Degradation of LLDPE.

Polyolefin suffers from degradation during processing and application. To prolong the service life, antioxidants are needed in the packing formula of polyolefin products. The usage of natural antioxidants could avoid potential health hazards aroused by synthetic ones.

Electronic Metal-Support Interactions Between CuO and ZnO for CuO/ZnO Catalysts With Enhanced CO Oxidation Activity.

Metal-support interaction has been one of the main topics of research on supported catalysts all the time. However, many other factors including the particle size, shape and chemical composition can have significant influences on the catalytic performance when considering the role of metal-support interaction. Herein, we have designed a series of CuO/ZnO catalysts as examples to quantitatively investigate how the metal-support interaction influences the catalytic performance.

Detailed formation process of Co@C catalysts and the influence of structural regulation on catalytic properties.

Co@C is a novel class of catalysts with many structural advantages, such as highly dispersed active species, developed pore structure, and special encapsulated structure. Although considerable progress has been made in the development of new Co@C materials, research on the formation mechanism of these materials is lacking. Herein, the overall microcosmic structure of the Co@C catalyst was investigated by systematic characterization.

Insight into the Influence of the Graphite Layer and Cobalt Crystalline on a ZIF-67-Derived Catalyst for Fischer-Tropsch Synthesis.

Due to the special framework structure, ZIF-67 is a promising material as the precursor to prepare the Co@C catalysts with high cobalt loading and superior cobalt dispersion. Unfortunately, these Co@C- catalysts exhibit not only unsatisfied activity but also high CH selectivity. This limited its further application due to the lack of in-depth analysis of the reasons behind it.

The effect of the nanofibrous AlO aspect ratio on Fischer-Tropsch synthesis over cobalt catalysts.

A series of nanofibrous alumina materials with diameters of 4-6 nm and with different aspect ratios ranging from 3 to 16 were prepared. Cobalt impregnated catalysts were prepared by means of incipient wetness impregnation on alumina nanofibers while the 'rearranged' catalysts were prepared by using ultrasonication assistance to mix the fibers with the CoO nanoparticles. The effects of the alumina nanofiber aspect ratios on the Co catalyst structure and performance for Fischer-Tropsch synthesis were studied.

A comparison of the efficacy and tolerability of oxcarbazepine oral suspension between infants and children with epilepsy: a retrospective chart review at a single medical center in Taiwan.

Background: Few clinical studies have assessed the efficacy and safety of oxcarbazepine (OXC) oral suspension in Asian pediatric patients and particularly in infants. The aim of this study was to investigate and compare the efficacy, tolerability, and side effects of OXC oral suspension in Taiwanese infants and children with various types of epilepsy.

Methods: A retrospective review of the efficacy, tolerability, and side effects of OXC oral suspension in a tertiary medical center in Taiwan was conducted and included children (1-9 years old) and infants (<1 year old) diagnosed with epilepsy, which was classified into idiopathic partial, symptomatic partial, or multifocal subtypes.