Double-quantum filtered MAS NMR in the presence of chemical shielding anisotropies and direct dipolar and J couplings

Double-quantum filtered MAS NMR spectra of an isolated homonuclear spin-1/2 pair are considered, at and away from rotational resonance conditions. The pulse sequence used is the solid-state NMR equivalent of double-quantum filtered COSY, known from solution-state NMR. The 119Sn spin pair in [(chex3Sn)2S] is characterized by a difference in isotropic chemical shielding smaller than the two chemical shielding anisotropies and by direct dipolar and isotropic J-coupling constants of similar magnitudes. At rotational resonance, one-dimensional double-quantum filtered 119Sn lineshapes yield the relative orientation of the two 119Sn chemical shielding tensors. Good double-quantum filtration efficiencies are found at and away from rotational resonance conditions, despite the presence of large chemical shielding anisotropies. Numerical simulations illustrate the interplay of the direct dipolar and J-coupling pathways and identify the latter as the main pathway even at rotational resonance conditions.     

Phase transition to hyperon matter in neutron stars

Recent progress in the understanding of the high density phase of neutron stars advances the view that a substantial fraction of the matter consists of hyperons. The possible impacts of a highly attractive interaction between hyperons on the properties of compact stars are investigated. We find that a hadronic equation of state with hyperons allows for a first order phase transition to hyperonic matter. The corresponding hyperon stars can have rather small radii of R approximately equal 8 km.     

Detection of multivariate outliers in business survey data with incomplete information

Many different methods for statistical data editing can be found in the literature but only few of them are based on robust estimates (for example such as BACON-EEM, epidemic algorithms (EA) and transformed rank correlation (TRC) methods of Béguin and Hulliger). However, we can show that outlier detection is only reasonable if robust methods are applied, because the classical estimates are themselves influenced by the outliers. Nevertheless, data editing is essential to check the multivariate data for possible data problems and it is not deterministic like the traditional micro editing where all records are extensively edited manually using certain rules/constraints. The presence of missing values is more a rule than an exception in business surveys and poses additional severe challenges to the outlier detection. First we review the available multivariate outlier detection methods which can cope with incomplete data. In a simulation study, where a subset of the Austrian Structural Business Statistics is simulated, we compare several approaches. Robust methods based on the Minimum Covariance Determinant (MCD) estimator, S-estimators and OGK-estimator as well as BACON-BEM provide the best results in finding the outliers and in providing a low false discovery rate. Many of the discussed methods are implemented in the R package ${\tt{rrcovNA}}$ which is available from the Comprehensive R Archive Network (CRAN) at http://www.CRAN.R-project.org under the GNU General Public License.     

Enriques surfaces and Jacobian elliptic K3 surfaces

This paper proposes a new geometric construction of Enriques surfaces. Its starting point are K3 surfaces with Jacobian elliptic fibration which arise from rational elliptic surfaces by a quadratic base change. The Enriques surfaces obtained in this way are characterised by elliptic fibrations with a rational curve as bisection which splits into two sections on the covering K3 surface. The construction has applications to the study of Enriques surfaces with specific automorphisms. It also allows us to answer a question of Beauville about Enriques surfaces whose Brauer groups show an exceptional behaviour. In a forthcoming paper, we will study arithmetic consequences of our construction.     

The commutation relation <Emphasis Type="Italic">xy</Emphasis>=<Emphasis Type="Italic">qyx</Emphasis>+<Emphasis Type="Italic">hf</Emphasis>(<Emphasis Type="Italic">y</Emphasis>) and Newton’s binomial formula

Let x and y be two variables satisfying the commutation relation xy=qyx+hf(y), where f(y) is a polynomial. In this paper, using Young diagrams and generating functions techniques, we study the binomial formula (x+y) ⁿ and we present an identity for x ^m y. The connection to Operator Calculus is discussed and several special cases are treated explicitly.     

Pore-resolved simulations of porous media combustion with conjugate heat transfer

Porous media combustion (PMC) is an active field of research with a number of potential advantages over free-flame combustors. A key contributor to these phenomena is the interphase heat exchange and heat recirculation from the products upstream to the reactants. In this paper, we present a network model that captures the conjugate heat transfer in pore-resolved 2D simulations of PMC. A series of simulations are presented with varying solid conduction and inlet velocity to isolate the role of conjugate heat transfer on the salient features of the burner, including flame stability, axial temperature profiles, and flame structure. We show that both the flame stabilization and the propagation behavior are strongly related to the conjugate heat transfer, and the flame stability regime is shifted to higher velocities as the conductivity of the solid material is increased.     

A novel methodological approach for δ18O analysis of sugars using gas chromatography-pyrolysis-isotope ratio mass spectrometry

Although the instrumental coupling of gas chromatography-pyrolysis-isotope ratio mass spectrometry (GC-Py-IRMS) for compound-specific δ¹⁸O analysis has been commercially available for more than a decade, this method has been hardly applied so far. Here we present the first GC-Py-IRMS δ¹⁸O results for trimethylsilyl-derivatives of plant sap-relevant sugars and a polyalcohol (glucose, fructose, sucrose, raffinose and pinitol). Particularly, we focus on sucrose, which is assimilated in leaves and which is the most important transport sugar in plants and hence of utmost relevance in plant physiology and paleoclimate studies. Replication measurements of sucrose standards and concentration series indicate that the GC-Py-IRMS δ¹⁸O measurements are not stable over time and that they are amount (area) dependent. We, therefore, suggest running sample batch replication measurements in alternation with standard concentration series of reference material. This allows for carrying out (i) a drift correction, (ii) a calibration against reference material and (iii) an amount (area) correction. Tests with ¹⁸O-enriched water do not provide any evidence for oxygen isotope exchange reactions affecting sucrose and raffinose. We present the first application of GC-Py-IRMS δ¹⁸O analysis for sucrose from needle extract (soluble carbohydrate) samples. The obtained δ¹⁸O_{sucrose/ Vienna Standard Mean Ocean Water (VSMOW)} values are more positive and vary in a wider range (32.1–40.1 ‰) than the δ¹⁸O_{bulk/ VSMOW} values (24.6–27.2 ‰). Furthermore, they are shown to depend on the climate parameters maximum day temperature, relative air humidity and cloud cover. These findings suggest that δ¹⁸O_sucrose of the investigated needles very sensitively reflects the climatically controlled evaporative ¹⁸O enrichment of leaf water and thus highlights the great potential of GC-Py-IRMS δ¹⁸O_sucrose analysis for plant physiology and paleoclimate studies.