Electron self-trapping in intermediate-valent SmB6

SmB6 exhibits intermediate valence in the ground state and unusual behaviour at low temperatures. The resistivity and the Hall effect cannot be explained either by conventional sf-hybridization or by hopping transport in an impurity band. At least three different energy scales determine three temperature regimes of electron transport in this system. We consider the ground state properties, the soft valence fluctuations and the spectrum of band carriers in n-doped SmB6. The behaviour of excess conduction electrons in the presence of soft valence fluctuations and the origin of the three energy scales in the spectrum of elementary excitations is discussed. The carriers which determine the low-temperature transport in this system are self-trapped electron-polaron complexes rather than simply electrons in an impurity band. The mechanism of electron trapping is the interaction with soft valence fluctuations.Comment: 12 pages, 3 figure

Cold‐pool‐driven convective initiation: using causal graph analysis to determine what convection‐permitting models are missing

Cold‐pool‐driven convective initiation is investigated in high‐resolution, convection‐permitting simulations with a focus on the diurnal cycle and organization of convection and the sensitivity to grid size. Simulations of four different days over Germany were performed using the ICON‐LEM model with grid sizes from 156 to 625 m. In these simulations, we identify cold pools, cold‐pool boundaries and initiated convection. Convection is triggered much more efficiently in the vicinity of cold pools than in other regions and can provide as much as 50% of total convective initiation, in particular in the late afternoon. By comparing different model resolutions, we find that cold pools are more frequent, smaller and less intense in lower‐resolution simulations. Furthermore, their gust fronts are weaker and less likely to trigger new convection. To identify how model resolution affects this triggering probability, we use a linear causal graph analysis. In doing so, we postulate a graph structure with potential causal pathways and then apply multi‐linear regression accordingly. We find a dominant, systematic effect: reducing grid sizes directly reduces upward mass flux at the gust front, which causes weaker triggering probabilities. These findings are expected to be even more relevant for km‐scale, numerical weather prediction models. We thus expect that a better representation of cold‐pool‐driven convective initiation will improve forecasts of convective precipitation

Antigiardial activity of novel guanidine compounds

From four focused compound libraries based on the known anticoccidial agent robenidine, 44 compounds total were synthesised and screened for antigiardial activity. All active compounds were counter-screened for antibiotic and cytotoxic action. Of the analogues examined, 21 displayed IC50<5 μM, seven with IC50<1.0 μM. Most active were 2,2′-bis{[4-(trifluoromethoxy)phenyl]methylene}carbonimidic dihydrazide hydrochloride (30), 2,2′-bis{[4-(trifluoromethylsulfanyl)phenyl]methylene}carbonimidic dihydrazide hydrochloride (32), and 2,2′-bis[(2-bromo-4,5-dimethoxyphenyl)methylene]carbonimidic dihydrazide hydrochloride (41) with IC50=0.2 μM. The maximal observed activity was a 5 h IC50 value of 0.2 μM for 41. The clinically used metronidazole was inactive at this timepoint at a concentration of 25 μM. Robenidine off-target effects at bacteria and cell line toxicity were removed. Analogue 41 was well tolerated in mice treated orally (100 mg/kg). Following 5 h treatment with 41, no Giardia regrowth was noted after 48 h

Contributions of individual reactive biogenic volatile organic compounds to organic nitrates above a mixed forest

Biogenic volatile organic compounds (BVOCs) can react in the atmosphere to form organic nitrates, which serve as $\text{NO}_{x} (\text{NO} + \text{NO}_{2})$ reservoirs, impacting ozone and secondary organic aerosol production, the oxidative capacity of the atmosphere, and nitrogen availability to ecosystems. To examine the contributions of biogenic emissions and the formation and fate of organic nitrates in a forest environment, we simulated the oxidation of 57 individual BVOCs emitted from a rural mixed forest in northern Michigan. Key BVOC-oxidant reactions were identified for future laboratory and field investigations into reaction rate constants, yields, and speciation of oxidation products. Of the total simulated organic nitrates, monoterpenes contributed ~70% in the early morning at ~12 m above the forest canopy when isoprene emissions were low. In the afternoon, when vertical mixing and isoprene nitrate production were highest, the simulated contribution of isoprene-derived organic nitrates was greater than 90% at all altitudes, with the concentration of secondary isoprene nitrates increasing with altitude. Notably, reaction of isoprene with $\text{NO}_{3}$ leading to isoprene nitrate formation was found to be significant (~8% of primary organic nitrate production) during the daytime, and monoterpene reactions with $\text{NO}_{3}$ were simulated to comprise up to ~83% of primary organic nitrate production at night. Lastly, forest succession, wherein aspen trees are being replaced by pine and maple trees, was predicted to lead to increased afternoon concentrations of monoterpene-derived organic nitrates. This further underscores the need to understand the formation and fate of these species, which have different chemical pathways and oxidation products compared to isoprene-derived organic nitrates and can lead to secondary organic aerosol formation

Nonexistence of marginally trapped surfaces and geons in 2+1 gravity

We use existence results for Jang's equation and marginally outer trapped surfaces (MOTSs) in 2+1 gravity to obtain nonexistence of geons in 2+1 gravity. In particular, our results show that any 2+1 initial data set, which obeys the dominant energy condition with cosmological constant \Lambda \geq 0 and which satisfies a mild asymptotic condition, must have trivial topology. Moreover, any data set obeying these conditions cannot contain a MOTS. The asymptotic condition involves a cutoff at a finite boundary at which a null mean convexity condition is assumed to hold; this null mean convexity condition is satisfied by all the standard asymptotic boundary conditions. The results presented here strengthen various aspects of previous related results in the literature. These results not only have implications for classical 2+1 gravity but also apply to quantum 2+1 gravity when formulated using Witten's solution space quantization.Comment: v3: Elements from the original two proofs of the main result have been combined to give a single proof, thereby circumventing an issue with the second proof associated with potential blow-ups of solutions to Jang's equation. To appear in Commun. Math. Phy

Discovery of 4,6-bis(2-((E)-benzylidene)hydrazinyl)pyrimidin-2-Amine with antibiotic activity

Robenidine (E)-N'-((E)-1-(4-chlorophenyl)ethylidene)-2-(1-(4-chlorophenyl)ethylidene)hydrazine-1-carboximidhydrazide displays methicillin-resistant Staphyoccoccus aureus (MRSA) and vancomycin-resistant Enterococci (VRE) MICs of 2 μg mL-1. Herein we describe the structure-activity relationship development of a novel series of guanidine to 2-aminopyrimidine isosteres that ameliorate the low levels of mammalian cytotoxicity in the lead compound while retaining good antibiotic activity. Removal of the 2-NH2 pyrimidine moiety renders these analogues inactive. Introduction of a central 2-NH2 triazine moiety saw a 10-fold activity reduction. Phenyl to cyclohexyl isosteres were inactive. The 4-BrPh and 4-CH3Ph with MIC values of 2 and 4 μg mL-1, against MRSA and VRE respectively, are promising candidates for future development.Cecilia C. Russe, Andrew Stevens, Kelly A. Young, Jennifer R. Baker ... Manouchehr Khazandi ... Abiodun Ogunniyi ... et al

Gamma rays from colliding winds of massive stars

Colliding winds of massive binaries have long been considered as potential sites of non-thermal high-energy photon production. This is motivated by the detection of non-thermal spectra in the radio band, as well as by correlation studies of yet unidentified EGRET gamma-ray sources with source populations appearing in star formation regions. This work re-considers the basic radiative processes and its properties that lead to high energy photon production in long-period massive star systems. We show that Klein-Nishina effects as well as the anisotropic nature of the inverse Compton scattering, the dominating leptonic emission process, likely yield spectral and variability signatures in the gamma-ray domain at or above the sensitivity of current or upcoming gamma ray instruments like GLAST-LAT. In addition to all relevant radiative losses, we include propagation (such as convection in the stellar wind) as well as photon absorption effects, which a priori can not be neglected. The calculations are applied to WR140 and WR147, and predictions for their detectability in the gamma-ray regime are provided. Physically similar specimen of their kind like WR146, WR137, WR138, WR112 and WR125 may be regarded as candidate sources at GeV energies for near-future gamma-ray experiments. Finally, we discuss several aspects relevant for eventually identifying this source class as a gamma-ray emitting population. Thereby we utilize our findings on the expected radiative behavior of typical colliding wind binaries in the gamma-ray regime as well as its expected spatial distribution on the gamma-ray sky

Coeliac disease-associated risk variants in TNFAIP3 and REL implicate altered NF-kappaB signalling

Objective: Our previous coeliac disease genome-wide association study (GWAS) implicated risk variants in the human leucocyte antigen (HLA) region and eight novel risk regions. To identify more coeliac disease loci, we selected 458 single nucleotide polymorphisms (SNPs) that showed more modest association in the GWAS for genotyping and analysis in four independent cohorts. Design: 458 SNPs were assayed in 1682 cases and 3258 controls from three populations (UK, Irish and Dutch). We combined the results with the original GWAS cohort (767 UK cases and 1422 controls); six SNPs showed association with p Results: We identified two novel coeliac disease risk regions: 6q23.3 (OLIG3-TNFAIP3) and 2p16.1 (REL), both of which reached genome-wide significance in the combined analysis of all 2987 cases and 5273 controls (rs2327832 p= 1.3x10(-08), and rs842647 p= 5.26x10(-07)). We investigated the expression of these genes in the RNA isolated from biopsies and from whole blood RNA. We did not observe any changes in gene expression, nor in the correlation of genotype with gene expression. Conclusions: Both TNFAIP3 (A20, at the protein level) and REL are key mediators in the nuclear factor kappa B (NF-kappa B) inflammatory signalling pathway. For the first time, a role for primary heritable variation in this important biological pathway predisposing to coeliac disease has been identified. Currently, the HLA risk factors and the 10 established non-HLA risk factors explain similar to 40% of the heritability of coeliac disease