Density Functional Study of Trimetallic AuxPdyPtz (x + y + z = 7) Clusters and Their Interactions with the O2 Molecule.

Density functional theory calculations were performed to investigate the structural and energetic properties of trimetallic AuxPdyPtz clusters with x + y + z = 7. The possible stable geometrical configurations with their electronic states are determined. We analyze the chemical order, binding energies, vertical ionization potential, electron affinity, and HOMO-LUMO gaps as a function of the whole concentration range. The affinity of AuxPdyPtz clusters toward one O2 molecule is also evaluated in terms of the changes in geometry, adsorption energy, and charge transfer.

The ß4GalT1 affects the fibroblast-like synoviocytes invasion in rheumatoid arthritis by modifying N-linked glycosylation of CXCR3.

OBJECTIVE: The level of ß-1,4-galactosyltransferase 1 (ß4GalT1) is up-regulated in collagen-induced arthritis (CIA) mice. It is reported that CXC chemokine receptor 3 (CXCR3) can enhance the invasiveness of fibroblast-like synoviocytes (FLS) in rheumatoid arthritis (RA). This study aims to investigate the specific mechanism of ß4GalT1 and relationship between ß4GalT1 and CXCR3 in RA. METHODS: The model of CIA mice was established to explore the role of ß4GalT1. The N-glycosylation of CXCR3 was detected by mass spectrometry and western-blot. The interaction between ß4GalT1 and CXCR3 was tested by immunoprecipitation. The truncted MMP-1 was detected by ELISA. Flow cytometry analysis was applied to measure ligand-receptor interaction between CXCR3 and CXCL10. RESULTS: ß4GalT1 can promote the inflammatory process of arthritis. CXCR3 was N-glycosylated and its glycosylation regulated by ß4GalT1. ß4GalT1 can enhance the invasiveness of FLS by modifying CXCR3. N-glycosylation of CXCR3 influences the ligand-receptor interaction between CXCR3 and CXCL10. CONCLUSIONS: ß4GalT1 can regulate N-glycans of CXCR3 in RA. N-glycans of CXCR3 affects CXCL10/CXCR3 ligand-binding which enhancing FLS invasion.

A theoretical investigation of the interactions between hydroxyl-functionalized ionic liquid and water/methanol/dimethyl sulfoxide.

Density functional calculations have been used to investigate the interactions of 1-(2-hydroxyethyl)-3-methylimidazolium ([C2OHmim](+))-based ionic liquids (hydroxyl ILs) with water (H2O), methanol (CH3OH), and dimethyl sulfoxide (DMSO). It was found that the cosolvent molecules interact with the anion and cation of each ionic liquid through different atoms, i.e., H and O atoms, respectively. The interactions between the cosolvent molecules and 1-ethyl-3-methylimizolium ([C2mim](+))-based ionic liquids (nonhydroxyl ILs) were also studied for comparison. In the cosolvent-[nonhydroxyl ILs] systems, a furcated H-bond was formed between the O atom of the cosolvent molecule and the C2-H and C6-H, while there were always H-bonds involving the OH group of the cation in the cosolvent-[hydroxyl ILs] systems. Introducing an OH group on the ethyl side of the imidazolium ring may change the order of solubility of the molecular liquids.

Body Image Disturbances Have Impact on the Sexual Problems in Chinese Systemic Lupus Erythematosus Patients.

SLE might affect all aspects of life including sexual functioning; previous study found that body image disturbance (BID) was the most powerful predictors of impaired partner relationships and sexual function. The current study investigated the relationship among disease parameters, quality of life, the psychological status, BID, and sexual problems in Chinese patients with SLE. A self-report survey design was administered to 168 SLE patients and 210 healthy individuals. Our results showed that 86 (55.1%) SLE patients reported impaired relationships with a sexual partner or partners, and 100 (64.1%) patients reported impaired sexual function which were significantly higher than the control group (31.6%, 35.7%, rep.). Age, marital status, depression, and BIDQ were the most powerful predictors of impaired partner relationships, while BIDQ3 and education, disease activity, and depression were the most significant causes of impaired sexual function. The study for first time reported Chinese SLE patients had sexual problems and BID was associated with sexual problems. So, early detection and interventions might not only rehabilitate the patients and their loved ones, but also improve overall health outcomes and reduce the direct and indirect costs of their medical care.

Transplantation of MSCs in combination with netrin-1 improves neoangiogenesis in a rat model of hind limb ischemia.

BACKGROUND: Similar to the neural network, the vascular network is formed from central axial structures that send sprouts along predetermined trajectories to their distal destinations. Indeed, recent evidence indicates that neuronal guidance factors and their receptors function as angiogenic regulators. As neural guidance cues, netrin-1 is the most extensively studied gene in the field of angiogenesis. Despite achieving some advances in mesenchymal stem cell (MSC) therapy in angiogenesis, there are still a certain number of patients who fail to respond to cell therapy. Thus, a novel therapeutic strategy to enhance the angiogenic property of transplanted cells is desirable. This study examined the impact of combined netrin-1 protein and MSC implantation on therapeutic angiogenesis in a rat model of hind limb ischemia. METHODS: Hind limb ischemic rats (n = 24) were divided randomly into four groups (six rats per group): control group (0.05 mL saline); netrin-1 group (1 µg netrin-1 dissolved in 0.05 mL saline); MSC group (1 × 10(6) MSCs); and netrin-1/MSCs group (1 µg netrin-1 combined with MSCs). Netrin-1 and/or MSCs were injected directly into the muscle of the ischemic limb. Gross appearance of ischemic limb, collateral vessel formation, and vascular endothelial growth factor (VEGF) level were assessed 28 d after treatment. RESULTS: The results showed that pretreatment of MSCs with a recombinant netrin-1 protein markedly augmented the angiographic score and capillary density, improved function of the ischemic limb, and increased levels of VEGF in the plasma and damaged tissues. Further studies assaying the cell migration and network formation suggested that netrin-1 promoted MSC migration and enhanced its ability to participate in tube formation. CONCLUSIONS: These results demonstrated that transplantation of MSCs pretreated with netrin-1 protein significantly improved the therapeutic effect of MSCs and, therefore, may provide a novel therapeutic approach for ischemic disease.

Density functional study of hydrogen binding on gold and silver-gold clusters.

A theoretical study was carried out on the binding of hydrogen on small bimetallic Ag(m)Au(n) (m + n < or = 5) and pure Au(n) (n < or = 5) clusters with neutral, negative, and positive charge state. It is found that the composition and charge state of clusters have strong influence on the most favorable binding site. The adiabatic ionization potentials, electron affinities, and hydrogen binding energies of cluster hydrides increase with the Au content increasing for the given cluster size. The cationic silver-gold cluster hydrides prefer ejection of Au-containing products whereas the anionic silver-gold cluster hydrides prefer ejection of Ag-containing products. The magnitude of metal-H frequency in combination with the metal-H bond length indicates that, with the same type of the binding site, the Au-H interaction is stronger than the Ag-H interaction.

A simplified method for assay of hydrogenase activities of H2 evolution and uptake in Enterobacter aerogenes.

Assay of hydrogenase activity pertaining to H2 production needs anaerobic conditions. To establish a simplified method for assay of hydrogenase activities by using intact cells of Enterobater aerogenes, different chemicals capable of enhancing the cell-wall permeability to electron mediators were examined. As a result, Triton X-100 and CTAB were found to be appropriate for H2 uptake and evolution activities of the intact cells, respectively. This method enabled H2 uptake and evolution activities of the intact cells to be easily detected. This is also the first report of the presence of H2 uptake hydrogenase activity in E. aerogenes.