Neuroprotection of Truncated Peptide IIAVE from : Quantum Chemical, Molecular Docking, and Bioactivity Studies.

Parkinson's disease (PD) is a progressive neurodegenerative disorder of the elderly for which there is no cure or disease-modifying therapy. Mitochondrial dysfunction and oxidative stress play a central role in dopaminergic neurodegeneration in PD. Therefore, antioxidants are considered a promising neuroprotective approach.

Understanding the Impacts of Different Impurities on Elemental Mercury Removal by CaS in Chemical Looping Combustion of Coal: A First Principle Study.

CaSO has the advantages of abundant yield, high oxygen-carrying capacity, low cost, and no heavy metal pollution, making it promising as an oxygen carrier for chemical looping combustion (CLC). In comparison with other oxygen carriers, CaS as the reduced product of CaSO exhibits superior adsorption efficiency for Hg in the flue gas. In this paper, density functional theory (DFT) was used to investigate the adsorption mechanism of Hg on the adsorbent surface of CaS(001).

Oxygen-Induced Elemental Mercury Oxidation in Chemical Looping Combustion of Coal.

Mercury emission is an important issue during chemical looping combustion (CLC) of coal. The aim of this work is to explore the effects of different flue gas components (e.g.

Predicting hepatocellular carcinoma through cross-talk genes identified by risk pathways.

Hepatocellular carcinoma (HCC) is the most frequent type of liver cancer with poor survival rate and high mortality. Despite efforts on the mechanism of HCC, new molecular markers are needed for exact diagnosis, evaluation and treatment. Here, we combined transcriptome of HCC with networks and pathways to identify reliable molecular markers.

Designing of dual inhibitors for GSK-3β and CDK5: Virtual screening and in vitro biological activities study.

Alzheimer's disease is a multifactorial neurodegenerative disorder with many drug targets contributing to its etiology. Despite the devastating effects of this disease, therapeutic methods for treating Alzheimer's disease remain limited. The multifactorial nature of Alzheimer's disease strongly supports a multi-target rationale as a drug design strategy.

Identification of breast cancer recurrence risk factors based on functional pathways in tumor and normal tissues.

The recurrence of breast cancer (BC) is a serious therapeutic problem, and the risk factors for recurrence urgently need to be identified. In this study, we examined the functional pathways in tumor and normal tissues to more comprehensively identify biomarkers for the risk of BC recurrence. We collected tumor and normal tissue gene expression profiles of recurrent BC patients and non-recurrent BC patients from the TCGA database.

Amorphous vanadium oxide matrixes supporting hierarchical porous Fe3O4/graphene nanowires as a high-rate lithium storage anode.

Developing electrode materials with both high energy and power densities holds the key for satisfying the urgent demand of energy storage worldwide. In order to realize the fast and efficient transport of ions/electrons and the stable structure during the charge/discharge process, hierarchical porous Fe3O4/graphene nanowires supported by amorphous vanadium oxide matrixes have been rationally synthesized through a facile phase separation process. The porous structure is directly in situ constructed from the FeVO4·1.