Thermodynamic and transport properties of fluids and selected solids for cryogenic applications Summary report, 1 Dec. 1965 - 1 Nov. 1970

Summary data on thermodynamic and transport properties of fluids and solids for cryogenic application

Interpretation of X-ray Absorption Spectroscopy in the Presence of Surface Hybridization

X-ray absorption spectroscopy yields direct access to the electronic and geometric structure of hybrid inorganic-organic interfaces formed upon adsorption of complex molecules at metal surfaces. The unambiguous interpretation of corresponding spectra is challenged by the intrinsic geometric flexibility of the adsorbates and the chemical interactions with the interface. Density-functional theory (DFT) calculations of the extended adsorbate-substrate system are an established tool to guide peak assignment in X-ray photoelectron spectroscopy (XPS) of complex interfaces. We extend this to the simulation and interpretation of X-ray absorption spectroscopy (XAS) data in the context of functional organic molecules on metal surfaces using dispersion-corrected DFT calculations within the transition potential approach. On the example of X-ray absorption signatures for the prototypical case of 2H-porphine adsorbed on Ag(111) and Cu(111) substrates, we follow the two main effects of the molecule/surface interaction on XAS: (1) the substrate-induced chemical shift of the 1s core levels that dominates in physisorbed systems and (2) the hybridization-induced broadening and loss of distinct resonances that dominates in more chemisorbed systems.Comment: 13 pages, 4 figure

Green Currents for Meromorphic Maps of Compact K\"ahler Manifolds

We consider the dynamics of meromorphic maps of compact K\"ahler manifolds. In this work, our goal is to locate the non-nef locus of invariant classes and provide necessary and sufficient conditions for existence of Green currents in codimension one.Comment: Statement of Theorem 1.5 is slightly improved. Proposition 5.2 and Theorem 5.3 are adde

Post-critical set and non existence of preserved meromorphic two-forms

We present a family of birational transformations in $CP_2$ depending on two, or three, parameters which does not, generically, preserve meromorphic two-forms. With the introduction of the orbit of the critical set (vanishing condition of the Jacobian), also called ``post-critical set'', we get some new structures, some "non-analytic" two-form which reduce to meromorphic two-forms for particular subvarieties in the parameter space. On these subvarieties, the iterates of the critical set have a polynomial growth in the \emph{degrees of the parameters}, while one has an exponential growth out of these subspaces. The analysis of our birational transformation in $CP_2$ is first carried out using Diller-Favre criterion in order to find the complexity reduction of the mapping. The integrable cases are found. The identification between the complexity growth and the topological entropy is, one more time, verified. We perform plots of the post-critical set, as well as calculations of Lyapunov exponents for many orbits, confirming that generically no meromorphic two-form can be preserved for this mapping. These birational transformations in $CP_2$, which, generically, do not preserve any meromorphic two-form, are extremely similar to other birational transformations we previously studied, which do preserve meromorphic two-forms. We note that these two sets of birational transformations exhibit totally similar results as far as topological complexity is concerned, but drastically different results as far as a more ``probabilistic'' approach of dynamical systems is concerned (Lyapunov exponents). With these examples we see that the existence of a preserved meromorphic two-form explains most of the (numerical) discrepancy between the topological and probabilistic approach of dynamical systems.Comment: 34 pages, 7 figure

Defining digital coaching: a qualitative inductive approach

The term ‘digital coaching’ is widely used but ill-defined. The present study therefore investigates how digital coaching is defined and how it differentiates from face-to-face coaching and other digital-technology-enabled (DT-enabled) formats, such as digital training, digital mentoring, or digital consulting. A qualitative inductive approach was chosen for more in-depth and open-minded content. Based on previous studies on the importance of asking coaches working in the field, 260 coaches working in the field of digital coaching were surveyed. The given answers depict the importance of differing between forms of DT-enabled coaching. Thus, digital coaching is a DT-enabled, synchronous conversation between a human coach and a human coachee, which is different to artificial intelligence (AI) coaching and coaching that is supported by asynchronous digital and learning communication technologies. Due to this definition and differentiation, future studies can explore the digital coaching process and its effectiveness – particularly in comparison to other formats. Furthermore, this clear definition enables practitioners to maintain professional standards and manage client’s expectations of digital coaching while helping clients understand what to expect from digital coaching

Embeddings of SL(2,Z) into the Cremona group

Geometric and dynamic properties of embeddings of SL(2,Z) into the Cremona group are studied. Infinitely many non-conjugate embeddings which preserve the type (i.e. which send elliptic, parabolic and hyperbolic elements onto elements of the same type) are provided. The existence of infinitely many non-conjugate elliptic, parabolic and hyperbolic embeddings is also shown. In particular, a group G of automorphisms of a smooth surface S obtained by blowing-up 10 points of the complex projective plane is given. The group G is isomorphic to SL(2,Z), preserves an elliptic curve and all its elements of infinite order are hyperbolic.Comment: to appear in Transformation Group

Hypoalbuminaemia predicts outcome in adult patients with congenital heart disease

Background In patients with acquired heart failure, hypoalbuminaemia is associated with increased risk of death. The prevalence of hypoproteinaemia and hypoalbuminaemia and their relation to outcome in adult patients with congenital heart disease (ACHD) remains, however, unknown. Methods Data on patients with ACHD who underwent blood testing in our centre within the last 14 years were collected. The relation between laboratory, clinical or demographic parameters at baseline and mortality was assessed using Cox proportional hazards regression analysis. Results A total of 2886 patients with ACHD were included. Mean age was 33.3 years (23.6–44.7) and 50.1% patients were men. Median plasma albumin concentration was 41.0 g/L (38.0–44.0), whereas hypoalbuminaemia (<35 g/L) was present in 13.9% of patients. The prevalence of hypoalbuminaemia was significantly higher in patients with great complexity ACHD (18.2%) compared with patients with moderate (11.3%) or simple ACHD lesions (12.1%, p<0.001). During a median follow-up of 5.7 years (3.3–9.6), 327 (11.3%) patients died. On univariable Cox regression analysis, hypoalbuminaemia was a strong predictor of outcome (HR 3.37, 95% CI 2.67 to 4.25, p<0.0001). On multivariable Cox regression, after adjusting for age, sodium and creatinine concentration, liver dysfunction, functional class and disease complexity, hypoalbuminaemia remained a significant predictor of death. Conclusions Hypoalbuminaemia is common in patients with ACHD and is associated with a threefold increased risk of risk of death. Hypoalbuminaemia, therefore, should be included in risk-stratification algorithms as it may assist management decisions and timing of interventions in the growing ACHD population

Peptide Drug Discovery: Innovative Technologies and Transformational Medicines

Interest in peptide drug discovery is surging. In the past several years,numerous pharmaceutical and biotech companies have committed considerable resources to peptide-based drug discovery. In part,this is being fueled by an increasing recognition that peptide drugs combine many of the virtues of small molecules and proteins, while minimizing several of their drawbacks, and that peptides can potentially expand the druggable space to include intracellular, extracellular and membrane associated protein–protein interactions. Moreover, powerful new in vitro and in silico technologies and breakthroughs in our understanding of natural peptides have emerged that provide peptide chemists with the toolsand insights they need to solve the various pharmacokinetic problems that often plague peptide drug discovery efforts. From stapled peptides,to highly versatile macrocyclic peptides and disulfide-rich peptides, to other peptides with various nonstandard chemistries, peptides are poised to fulfill their promise of providing a drug class that straddles the chemical space between small molecules and proteins, ultimately resulting in transformational medicines and improved clinical outcomes