Magnetic properties of small Pt-capped Fe, Co and Ni clusters: A density functional theory study

Theoretical studies on M$_{13}$ (M = Fe, Co, Ni) and M$_{13}$Pt$_n$ (for $n$ = 3, 4, 5, 20) clusters including the spin-orbit coupling are done using density functional theory. The magnetic anisotropy energy (MAE) along with the spin and orbital moments are calculated for M$_{13}$ icosahedral clusters. The angle-dependent energy differences are modelled using an extended classical Heisenberg model with local anisotropies. From our studies, the MAE for Jahn-Teller distorted Fe$_{13}$, Mackay distorted Fe$_{13}$ and nearly undistorted Co$_{13}$ clusters are found to be 322, 60 and 5 $\mu$eV/atom, respectively, and are large relative to the corresponding bulk values, (which are 1.4 and 1.3 $\mu$eV/atom for bcc Fe and fcc Co, respectively.) However, for Ni$_{13}$ (which practically does not show relaxation tendencies), the calculated value of MAE is found to be 0.64 $\mu$eV/atom, which is approximately four times smaller compared to the bulk fcc Ni (2.7 $\mu$eV/atom). In addition, MAE of the capped cluster (Fe$_{13}$Pt$_4$) is enhanced compared to the uncapped Jahn-Teller distorted Fe$_{13}$ cluster

Magnetic-field- and temperature-dependent fermi surface of CeBiPt

The half-Heusler compounds CeBiPt and LaBiPt are semimetals with very low charge-carrier concentrations as evidenced by Shubnikov–de Haas (SdH) and Hall-effect measurements. Neutron-scattering results reveal a simple antiferromagnetic structure in CeBiPt below TN = 1.15 K. The band structure of CeBiPt sensitively depends on temperature, magnetic field and stoichiometry. Above a certain, sample-dependent, threshold field (B>25 T), the SdH signal disappears and the Hall coefficient reduces significantly. These effects are absent in the non-4f compound LaBiPt. Electronic-band-structure calculations can well explain the observed behaviour by a 4f-polarization-induced Fermi-surface modification

Magnetic-field- and temperature-dependent fermi surface of CeBiPt

The half-Heusler compounds CeBiPt and LaBiPt are semimetals with very low charge-carrier concentrations as evidenced by Shubnikov–de Haas (SdH) and Hall-effect measurements. Neutron-scattering results reveal a simple antiferromagnetic structure in CeBiPt below TN = 1.15 K. The band structure of CeBiPt sensitively depends on temperature, magnetic field and stoichiometry. Above a certain, sample-dependent, threshold field (B>25 T), the SdH signal disappears and the Hall coefficient reduces significantly. These effects are absent in the non-4f compound LaBiPt. Electronic-band-structure calculations can well explain the observed behaviour by a 4f-polarization-induced Fermi-surface modification

NO2 climatology in the northern subtropical region: diurnal, seasonal and interannual variability

Daily NO2 vertical column density (VCD) has been routinely measured by zenith sky spectroscopy at the subtropical station of Izaña (28° N, 16° W) since 1993 in the framework of the Network for the Detection of Atmospheric Composition Change (NDACC). Based on 14 years of data the first low latitude NO2 VCD climatology has been established and the main characteristics from short timescales of one day to interannual variability are presented. Instrumental descriptions and different sources of errors are described in detail. The observed diurnal cycle follows that expected by gas-phase NOx chemistry, as can be shown by the good agreement with a vertically integrated chemical box model, and is modulated by solar radiation. The seasonal evolution departs from the phase of the hours of daylight, indicating the signature of upper stratospheric temperature changes. From the data record (1993–2006) no significant long-term trends in NO2 VCD can be inferred. Comparison of the ground-based data sets with nadir-viewing satellite spectrometers shows excellent agreement for SCIAMACHY with differences between both datasets of 1.1%. GOME displays unrealistic features with the largest discrepancies during summer. The ground-based data are compared with long-term output of the SLIMCAT 3-D chemical transport model (CTM). The basic model, forced by ECMWF (ERA-40) analyses, captures the observed NO2 annual cycle but significantly underestimates the spring/summer maximum (by 12% at sunset and up to 25% at sunrise). In a model run which uses assimilation of satellite CH4 profiles to constrain the model long-lived tracers the agreement is significantly improved. This improvement in modelled column NO2 is due to better modelled NOy profiles and points to transport errors in the ECMWF ERA-40 reanalyses.Routine measurements have been possible thanks to the funding provided by the projects QUILT (EU EVK2-CT2000-0059) SCOUT-O3 (EU 505390-GOCE-CT-2004), TROMPETA (MCyT CGL2004-03669) and is on-going through GEOMON (EU FP6-2005-Global-4- 036677)

Gene sets for utilization of primary and secondary nutrition supplies in the distal gut of endangered iberian lynx

Recent studies have indicated the existence of an extensive trans-genomic trans-mural co-metabolism between gut microbes and animal hosts that is diet-, host phylogeny- and provenance-influenced. Here, we analyzed the biodiversity at the level of small subunit rRNA gene sequence and the metabolic composition of 18 Mbp of consensus metagenome sequences and activity characteristics of bacterial intra-cellular extracts, in wild Iberian lynx (Lynx pardinus) fecal samples. Bacterial signatures (14.43% of all of the Firmicutes reads and 6.36% of total reads) related to the uncultured anaerobic commensals Anaeroplasma spp., which are typically found in ovine and bovine rumen, were first identified. The lynx gut was further characterized by an over-representation of ‘presumptive’ aquaporin aqpZ genes and genes encoding ‘active’ lysosomal-like digestive enzymes that are possibly needed to acquire glycerol, sugars and amino acids from glycoproteins, glyco(amino)lipids, glyco(amino)glycans and nucleoside diphosphate sugars. Lynx gut was highly enriched (28% of the total glycosidases) in genes encoding α-amylase and related enzymes, although it exhibited low rate of enzymatic activity indicative of starch degradation. The preponderance of β-xylosidase activity in protein extracts further suggests lynx gut microbes being most active for the metabolism of β-xylose containing plant N-glycans, although β-xylosidases sequences constituted only 1.5% of total glycosidases. These collective and unique bacterial, genetic and enzymatic activity signatures suggest that the wild lynx gut microbiota not only harbors gene sets underpinning sugar uptake from primary animal tissues (with the monotypic dietary profile of the wild lynx consisting of 80–100% wild rabbits) but also for the hydrolysis of prey-derived plant biomass. Although, the present investigation corresponds to a single sample and some of the statements should be considered qualitative, the data most likely suggests a tighter, more coordinated and complex evolutionary and nutritional ecology scenario of carnivore gut microbial communities than has been previously assumed

Renal hemodynamics and the renin-angiotensin system in cirrhosis

The interrelationship between renal hemodynamics and the renin-angiotensin-aldosterone system in 28 nonazotemic cirrhotic patients has been studied. Patients were divided into three groups: A) Patients without ascites nor edema; B) Patients with ascites and a relatively high sodium excretion (41.9 ± 12.9 mmol/day); and C) Patients with ascites and very low sodium excretion (4.8 ± 0.6 mmol/day). Renin and aldosterone levels significantly increased in group C. A significant correlation was observed between plasma aldosterone concentration and urinary sodium excretion, and between plasma renin activity and aldosterone levels. There were no significant differences in urine flow, glomerular filtration rate, effective renal plasma flow, or renal blood flow between the three groups of patients, in spite of marked differences in renin and aldosterone levels. Renal perfusion was not related to plasma renin activity either in the overall sample of patients or in the individual groups. These results show that factors other than total renal perfusion are involved in renin secretion in cirrhosis

A comprehensive microarray-based DNA methylation study of 367 hematological neoplasms

Background: Alterations in the DNA methylation pattern are a hallmark of leukemias and lymphomas. However, most epigenetic studies in hematologic neoplasms (HNs) have focused either on the analysis of few candidate genes or many genes and few HN entities, and comprehensive studies are required. Methodology/Principal Findings: Here, we report for the first time a microarray-based DNA methylation study of 767 genes in 367 HNs diagnosed with 16 of the most representative B-cell (n = 203), T-cell (n = 30), and myeloid (n = 134) neoplasias, as well as 37 samples from different cell types of the hematopoietic system. Using appropriate controls of B-, T-, or myeloid cellular origin, we identified a total of 220 genes hypermethylated in at least one HN entity. In general, promoter hypermethylation was more frequent in lymphoid malignancies than in myeloid malignancies, being germinal center mature B-cell lymphomas as well as B and T precursor lymphoid neoplasias those entities with highest frequency of gene-associated DNA hypermethylation. We also observed a significant correlation between the number of hypermethylated and hypomethylated genes in several mature B-cell neoplasias, but not in precursor B- and T-cell leukemias. Most of the genes becoming hypermethylated contained promoters with high CpG content, and a significant fraction of them are targets of the polycomb repressor complex. Interestingly, T-cell prolymphocytic leukemias show low levels of DNA hypermethylation and a comparatively large number of hypomethylated genes, many of them showing an increased gene expression. Conclusions/Significance: We have characterized the DNA methylation profile of a wide range of different HNs entities. As well as identifying genes showing aberrant DNA methylation in certain HN subtypes, we also detected six genes—DBC1, DIO3, FZD9, HS3ST2, MOS, and MYOD1—that were significantly hypermethylated in B-cell, T-cell, and myeloid malignancies. These might therefore play an important role in the development of different HNs

Quantum magnetism in two dimensions: From semi-classical N\'eel order to magnetic disorder

This is a review of ground-state features of the s=1/2 Heisenberg antiferromagnet on two-dimensional lattices. A central issue is the interplay of lattice topology (e.g. coordination number, non-equivalent nearest-neighbor bonds, geometric frustration) and quantum fluctuations and their impact on possible long-range order. This article presents a unified summary of all 11 two-dimensional uniform Archimedean lattices which include e.g. the square, triangular and kagome lattice. We find that the ground state of the spin-1/2 Heisenberg antiferromagnet is likely to be semi-classically ordered in most cases. However, the interplay of geometric frustration and quantum fluctuations gives rise to a quantum paramagnetic ground state without semi-classical long-range order on two lattices which are precisely those among the 11 uniform Archimedean lattices with a highly degenerate ground state in the classical limit. The first one is the famous kagome lattice where many low-lying singlet excitations are known to arise in the spin gap. The second lattice is called star lattice and has a clear gap to all excitations. Modification of certain bonds leads to quantum phase transitions which are also discussed briefly. Furthermore, we discuss the magnetization process of the Heisenberg antiferromagnet on the 11 Archimedean lattices, focusing on anomalies like plateaus and a magnetization jump just below the saturation field. As an illustration we discuss the two-dimensional Shastry-Sutherland model which is used to describe SrCu2(BO3)2.Comment: This is now the complete 72-page preprint version of the 2004 review article. This version corrects two further typographic errors (three total with respect to the published version), see page 2 for detail