Two-point versus multipartite entanglement in quantum phase transitions

We analyze correlations between subsystems for an extended Hubbard model exactly solvable in one dimension, which exhibits a rich structure of quantum phase transitions (QPTs). The T = 0 phase diagram is exactly reproduced by studying singularities of single-site entanglement. It is shown how comparison of the latter quantity and quantum mutual information allows one to recognize whether two-point or shared quantum correlations are responsible for each of the occurring QPTs. The method works in principle for any number D of degrees of freedom per site. As a by-product, we are providing a benchmark for direct measures of bipartite entanglement; in particular, here we discuss the role of negativity at the transition.     

1-Aminopyrazolin-5-ones. Synthesis and reactivity

A synthesis of 1-aminopyrazolin-5-ones (I) by chloramine attack on the 2-benzylpyrazolones (IVd-e) has been accomplished. Nucleophilic substitution reactions of aminopyrazolones (I) are investigated; with 1,4-diketones, N,N'-pyrrolylpyrazolones (XVIIa-c) are obtained. Chlorination of acetylaminopyrazolones (VII) led to the corresponding 1-amino-5-chloropyrazoles (XXI) via the isolable pyrazolo[3,2-b]oxadiazoles (XIX).     

Iteration theory in hyperbolic domains

We introduce the notion of pointwise regularity ( ) of Colombeau’s generalized functions and give comparison theorems between regularity, - andC ^∞-regularity. We also define the notion of a pointwise wave front set and establish a theorem concerning the effect of a linear generalized partial differential operator on such a wave front.     

Platinum Nanoparticles on Silica Obtained Under Mild Conditions Using cis-PtCl2(CO)2 as Precursor

Physi-/chemisorption of cis-PtCl₂(CO)₂ on partially dehydroxylated amorphous silica followed by exposure to water vapor at room temperature or at 210°C produces platinum nanoparticles, through a reductive process involving both coordinated carbon monoxide and water. Incomplete removal of hydrogen-bonded water from the silica surface increases the implantation yield. XPS and TEM measurements are reported. The silica-supported platinum is catalytically active towards the hydrogenation of cyclohexene.     

From A1 to A ∞ $A_{\infty }$ : New Mixed Inequalities for Certain Maximal Operators

Potential Analysis - We prove Wasserstein distance bounds between the probability distributions of stochastic integrals with jumps, based on the integrands appearing in their stochastic integral...     

Dynamical analysis of low-temperature monte carlo cluster algorithms

We present results on the Swendsen-Wang dynamics for the Ising ferromagnet in the low-temperature case without external field in the thermodynamic limit. We discuss in particular the rate of convergence to the equilibrium Gibbs state in finite and infinite volume, the absence of ergodicity in the infinite volume, and the long-time behavior of the probability distribution of the dynamics for various starting configurations. Our results are purely dynamical in nature in the sense that we never use the reversibility of the process with respect to the Gibbs state, and they apply to a stochastic particle system withnon- Gibbsian invariant measure.     

Insights into the interplay between electronic structure and protein dynamics: The case of ubiquitin

A quantum mechanical analysis of an experimental ensemble comprising 128 conformers of the protein ubiquitin has been carried out with the aid of LMO–SCF–COSMO calculations. The permanent dipole moment of the protein fluctuates in the range from 131 to 283 D while the energy-weighted average dipole has a magnitude of 197 D. The HOMO–LUMO energy gap of the conformational ensemble ranges from 7.389 to 8.397 eV and appears to being affected mainly by fluctuations in the HOMO energy. An inspection of the frontier orbitals of the 128 conformers indicates that their localization is not affected by the protein dynamics.     

EQCM study of the p- and n-doping processes of a poly[4,4-bis(butylsulphanyl)-2,2-bithiophene]

Electrogenerated deposits of poly[4,4^′-bis(butylsulphanyl)-2,2^′-bithiophene] have been characterised in the presence of different supporting electrolytes, by coupling current (charge) to microgravimetric measurements from the electrochemical quartz crystal microbalance (EQCM). The simultaneous collection of voltammetric measurements and of data relative to mass changes shows the influence exerted by the nature of the supporting electrolyte on the charge-discharge steps of both p- and n-doping processes. Interestingly, the microgravimetric data collected corresponding to the pre-peaks of both doping processes suggest the occurrence of two opposite motions of ions (ingress into and exit out from the polymer) in the relevant potential region, giving a contribution to the study of the `residual charge' phenomenon.