First-principles investigation of magnetism and electronic structures of substitutional 3d3d transition-metal impurities in bcc Fe

The magnetic and electronic structures of $3d$ impurity atoms from Sc to Zn in ferromagnetic body-centered cubic iron are investigated using the all-electron full-potential linearized augmented plane-wave method based on the generalized gradient approximation (GGA). We found that in general, the GGA results are closer to the experimental values than those of the local spin density approximation. The calculated formation enthalpy data indicate the importance of a systematic study on the ternary Fe-C-$X$ systems rather than the binary Fe-$X$ systems, in steel design. The lattice parameters are optimized and the conditions for spin polarization at the impurity sites are discussed in terms of the local Stoner model. Our calculations, which are consistent with previous work, imply that the local spin-polarizations at Sc, Ti, V, Cu, and Zn are induced by the host Fe atoms. The early transition-metal atoms couple antiferromagnetically, while the late transition-metal atoms couple ferromagnetically, to the host Fe atoms. The calculated total magnetization ($M$) of bcc Fe is reduced by impurity elements from Sc to Cr as a result of the antiferromagnetic interaction, with the opposite effect for solutes which couple ferromagnetically. The changes in $M$ are attributed to nearest neighbor interactions, mostly between the impurity and host atoms. The atom averaged magnetic moment is shown to follow generally the well-known Slater-Pauling curve, but our results do not follow the linearity of the Slater-Pauling curve. We attribute this discrepancy to the weak ferromagnetic nature of bcc Fe. The calculated Fermi contact hyperfine fields follow the trend of the local magnetic moments. The effect of spin-orbit coupling is found not to be significant although it comes into prominence at locations far from the impurity sites.Comment: 26 pages, 11 figure

Sequential item pricing for unlimited supply

We investigate the extent to which price updates can increase the revenue of a seller with little prior information on demand. We study prior-free revenue maximization for a seller with unlimited supply of n item types facing m myopic buyers present for k < log n days. For the static (k = 1) case, Balcan et al. [2] show that one random item price (the same on each item) yields revenue within a \Theta(log m + log n) factor of optimum and this factor is tight. We define the hereditary maximizers property of buyer valuations (satisfied by any multi-unit or gross substitutes valuation) that is sufficient for a significant improvement of the approximation factor in the dynamic (k > 1) setting. Our main result is a non-increasing, randomized, schedule of k equal item prices with expected revenue within a O((log m + log n) / k) factor of optimum for private valuations with hereditary maximizers. This factor is almost tight: we show that any pricing scheme over k days has a revenue approximation factor of at least (log m + log n) / (3k). We obtain analogous matching lower and upper bounds of \Theta((log n) / k) if all valuations have the same maximum. We expect our upper bound technique to be of broader interest; for example, it can significantly improve the result of Akhlaghpour et al. [1]. We also initiate the study of revenue maximization given allocative externalities (i.e. influences) between buyers with combinatorial valuations. We provide a rather general model of positive influence of others' ownership of items on a buyer's valuation. For affine, submodular externalities and valuations with hereditary maximizers we present an influence-and-exploit (Hartline et al. [13]) marketing strategy based on our algorithm for private valuations. This strategy preserves our approximation factor, despite an affine increase (due to externalities) in the optimum revenue.Comment: 18 pages, 1 figur

Genetic and Biochemical Analysis of the Activation Mechanism of the Saccharomyces Cerevisiae Pheromone Receptor

Activation mechanism of the α-factor pheromone receptor of Saccharomyces cerevisiae was analyzed using biochemical and genetic techniques. An in vitro partial proteolysis assay was developed to determine the conformational change of the receptor that occurs upon binding of agonist. The activation specific cleavages were established by comparing cleavage products with antagonist versus agonist occupied receptor. Of the changes in peptide pattern that were revealed by trypsinization, the fragment resulting from the exposure of the third loop to the protease was found to be agonist specific and to be G-protein independent. A low-affinity binding receptor mutant was isolated which failed to undergo this agonist induced conformational change. Four intra-allelic suppressors of this receptor mutant were isolated and all were mapped to the ends of transmembrane helices 4, 5, 6 and 7; all were found to be replacements of non-polar residues by polar ones. The role of the suppressor mutations in conformational change was analyzed

Revenue recovery challenges facing water and sanitation service institutions in Faisalabad, Pakistan

Drinking water supply is not only a basic need and precondition for a healthy life; it is also a human right. As per estimated figure 75% Population in Pakistan have not access to safe drinking water. As one indication of the magnitude of the problem, it is estimated that 200,000 children in Pakistan die every year due to diarrhoeal diseases alone. According to World Health Organisation (WHO) approximately 25-30 % of the diseases in Pakistan are gastrointestinal, about 58.5% of the people have piped water supply to their houses and about 7.6% get their drinking water from standposts. The remaining population obtains their water supplies from hand pumps, wells, or through private water vendors

Gelatin-Sealed Dacron Graft is not more Susceptible to MRSA Infection than PTFE Graft

ObjectivesThe purpose of this experimental study was to compare the susceptibility of gelatin-sealed Dacron and PTFE prostheses to infection by MRSA.DesignProspective, randomized, controlled animal study.Materials and MethodsGraft infections were established in the subcutaneous tissues of 60 female Spraque-Dawley rats by the implantation of gelatin-sealed Dacron or PTFE prostheses followed by topical inoculation with methicillin-resistant Staphylococcus aureus. The study groups were as follows: (1A) uncontaminated gelatin-sealed Dacron group, (1B) untreated contaminated gelatin-sealed Dacron group, (1C) contaminated gelatin-sealed Dacron group with intraperitoneal teicoplanin treatment, (2A) uncontaminated PTFE group, (2B) untreated contaminated PTFE group, and (2C) contaminated PTFE group with intraperitoneal teicoplanin treatment. The grafts were removed after 7 days and evaluated for infection by counting the number of adherent bacteria on the graft material after rinsing and sonication. The perigraft tissue was harvested for histopathological study. To investigate the existence of any infection, blood samples were collected by cardiopuncture for a culture analysis.ResultsNo significant difference in bacteria counts was observed between gelatin-sealed Dacron and PTFE grafts. In groups 1A and 2A, there was no infection detected. The bacterial counts for MRSA were 7.4×105 in group 1B and 8.6×105 in group 2B. There was also no infection in groups 1C and 2C. While the difference between group 1B and 2B was not significant (p>.05), bacterial counts in group 1B or 2B were significantly higher than those in other groups. Blood cultures were only positive in four rats in group 1B and in two rats in group 2B. The severities of the inflammation of the perigraft tissues was low in groups 1A and 2A, high in groups 1C and 2C, and between the range from low to moderate in groups 1B and 2B.ConclusionThe susceptibility of gelatin-sealed Dacron to bacterial infection was not higher than that of PTFE