Geometric, electronic properties and the thermodynamics of pure and Al--doped Li clusters

The first--principles density functional molecular dynamics simulations have been carried out to investigate the geometric, the electronic, and the finite temperature properties of pure Li clusters (Li$_{10}$, Li$_{12}$) and Al--doped Li clusters (Li$_{10}$Al, Li$_{10}$Al$_2$). We find that addition of two Al impurities in Li$_{10}$ results in a substantial structural change, while the addition of one Al impurity causes a rearrangement of atoms. Introduction of Al--impurities in Li$_{10}$ establishes a polar bond between Li and nearby Al atom(s), leading to a multicentered bonding, which weakens the Li--Li metallic bonds in the system. These weakened Li--Li bonds lead to a premelting feature to occur at lower temperatures in Al--doped clusters. In Li$_{10}$Al$_2$, Al atoms also form a weak covalent bond, resulting into their dimer like behavior. This causes Al atoms not to `melt' till 800 K, in contrast to the Li atoms which show a complete diffusive behavior above 400 K. Thus, although one Al impurity in Li$_{10}$ cluster does not change its melting characteristics significantly, two impurities results in `surface melting' of Li atoms whose motions are confined around Al dimer.Comment: 9 pages, 7 figure

Coexistence of spin glass and ferroelectricity in highly ordered Bi2FeMnO6 epitaxial thin film

Highly ordered Bi2FeMnO6 epitaxial thin films have been successfully grown on SrTiO3 substrate. Both synchrotron X-ray reciprocal space mapping and high resolution transmission electron microscopy confirmed the alternative alignment of Fe and Mn along [111] direction of Bi2FeMnO6 films. Magnetic and ferroelectric properties of Bi2FeMnO6 films are characterized and analyzed. The room-temperature ferroelectricity is well kept in Bi2FeMnO6 film as expected. However, it is very interesting that Bi2FeMnO6 film exhibits a typical spin-glass behavior and very weak magnetism rather than a ferri/ferromagnetism as generally believed. Our first-principles calculations suggest a spin frustration model for Bi2FeMnO6, which can well explain the intriguing magnetic property of Bi2FeMnO6 film.Comment: Main text: 30 pages and 14 figure

High Dose ESAs Are Associated with High iPTH Levels in Hemodialysis Patients with End-Stage Kidney Disease: A Retrospective Analysis

Objective: Anemia and secondary hyperparathyroidism are the two most common complications associated with chronic kidney disease (CKD). Erythropoiesis-stimulating agents (ESAs) are widely used in the management of anemia in hemodialysis patients. A reverse correlation has been established between hyperparathyroidism and hemoglobin levels. The aim of this retrospective study is to evaluate the relationship of high dose ESAs and hyperparathyroidism in hemodialysis patients with anemia. Methods: A total of 240 uremic patients maintained on regular hemodialysis were enrolled into this study. Among them, 142 patients were treated with Epiao® (epoetin-alfa) and 98 patients were treated with Recormon® (epoetin-beta). The target hemoglobin concentration was 110-130 g/L. Laboratory measurements including hemoglobin, calcium, phosphorus, albumin, intact-parathyroid hormone (iPTH), serum ferritin and transferrin saturation were collected. Results: Hemoglobin concentration increased as iPTH level decreased by stratification. However, no significant association between anemia and calcium or phosphorus level was found. Patients with iPTH levels within 150-300 pg/mL had the highest levels of hemoglobin, serum ferritin and transferrin saturation. Patients treated with Recormon and Epiao had similar hemoglobin concentrations. However, the dose of Recormon for anemia treatment was significantly less than that the dose of Epiao (P<0.05). The level of iPTH in the Recormon group was significantly lower than in the Epiao group. In patients with hemoglobin levels between 110-130 g/L (P<0.05), iPTH level was found to be significantly lower in patients treated with lower doses of ESAs than in patients treated with higher doses of ESAs, no matter which ESA was used (Recormon or Epiao, P<0.05). Conclusions: The dose of ESAs might be positively associated with iPTH level, suggesting that a reasonable hemoglobin target can be achieved by using the lowest possible ESA dose

Solar cell with MXene electrode.

A solar cell (100) includes a p-type silicon layer (105) having a first side and a second side and an n-type silicon layer (110) having a first side and a second side. The first side of the n-type silicon layer is arranged on the second side of the p-type silicon layer. The solar cell also includes a first metal electrode (115) arranged on the first side of the p-type silicon layer and a second metal electrode (120) arranged on the second side of the n-type silicon layer. The second metal electrode includes an MXene

Enumerasi Total Populasi Mikroba Tanah Gambut Di Teluk Meranti Kabupaten Riau

Teluk Meranti is one of the peatland area in Riau province. Most of these lands have beenchanged into palm oil plantation, timber plantation, agricultural area and settlement. Theaim of this research was to analyze the impact of land use changes on soil physical-chemical characteristics and microbial cell number. Soil samples were taken from eightdifferent locations, namely primary forest as control, secondary forest, rubber plantation(15 monthsyears old), rubber forest (40-60 years old), palm oil plantation (7-8 years old),acacia plantation (2-3 years old), corn field, and cassava field. Microbial cell number wasdetermined by spread plate method, employing appropriate media for the growth ofbacteria, fungi and actinomycetes. The results showed that the soil humidity, soiltemperature, percentage of soil dry weight, water content, soil bulk density and pH rangedfrom 29,63-55,88%, 27-31,5 o C, 14,9-35,5%, 64,9-85,1%, 0,16-0,39 g/cm 3 and 3,63-4,00,respectively. The copiotrophic bacterial cell number ranged from 0,6x10 5 -1,8x10 5 CFU/gsoil where the highest population was at the palm oil plantation,whereas the oligotrophicbacterial cell number ranged from 0,5x10 5 -1,4x10 5 CFU/g soil where the highest populationwas at the palm oil plantation. The population of fungi ranged from 0,4x10 5 -1,0x10 5 CFU/gsoil where the highest population was at the corn field. The population of actinomycetesranged from 0,4x10 5 -10,7x10 5 CFU/g soil where the highest population was at the palm oilplantation. Land use changes caused microbial cell number increased. The results indicatedthat land use changes influenced the microbial cell numbers