Packing spheres tightly: influence of mechanical stability on close-packed sphere structures

Many experiments and simulations of packings of monodisperse hard spheres report a dominance of the face-centered cubic structure in the hexagonally close-packed limit, even though it has no significant energetic or entropic gain over other close-packed configurations. Combining simulations and experiments, we demonstrate that a simple mechanical instability which occurs during the packing process may play an important role in selecting the face-centered cubic structure over other close-packed alternatives. Our argument is supported by detailed quantitative analyses of key configurations in sphere packings and highlights the importance of the packing dynamics. The proposed mechanism is elementary and should therefore play a role in a wide range of sphere systems.     

Reverse roughening transition in carbon dioxide

We report the observation of a roughening transition in carbon dioxide along the melting line of phase I, which we call reverse as faceting appears with increasing temperature. The characteristics of the transition are discussed in light of modern theories of roughening and the causes of its reverse behavior investigated. We propose that high temperature faceting is related to a pressure-induced increase of the surface stiffness.     

Characterization of a 20 kHz sonoreactor. Part II: analysis of chemical effects by classical and electrochemical methods

A new electrochemical redox probe has been investigated in order to characterize the local production of radicals during the cavitation events. The results have been compared with those obtained with Fe(CN)6(3-)/Fe(CN)6(4-) (electrochemical probe for local mechanical effects) and classical chemical methods such as iodide and Fricke dosimeters (chemical probes for global effects).     

Adiabatic Theorems for Quantum Resonances

We study the adiabatic time evolution of quantum resonances over time scales which are small compared to the lifetime of the resonances. We consider three typical examples of resonances: The first one is that of shape resonances corresponding, for example, to the state of a quantum-mechanical particle in a potential well whose shape changes over time scales small compared to the escape time of the particle from the well. Our approach to studying the adiabatic evolution of shape resonances is based on a precise form of the time-energy uncertainty relation and the usual adiabatic theorem in quantum mechanics. The second example concerns resonances that appear as isolated complex eigenvalues of spectrally deformed Hamiltonians, such as those encountered in the N-body Stark effect. Our approach to study such resonances is based on the Balslev-Combes theory of dilatation-analytic Hamiltonians and an adiabatic theorem for nonnormal generators of time evolution. Our third example concerns resonances arising from eigenvalues embedded in the continuous spectrum when a perturbation is turned on, such as those encountered when a small system is coupled to an infinitely extended, dispersive medium. Our approach to this class of examples is based on an extension of adiabatic theorems without a spectral gap condition. We finally comment on resonance crossings, which can be studied using the last approach.     

Highly selective synthesis of novel (E)-styrylsilatranes via ruthenium-catalyzed trans-silylation

Protocols for the synthesis of cage-substituted 1-vinylsilatranes have been developed and updated. The 1-vinylsilatranes with organic substituents attached to silatrane cage were functionalized in ruthenium-catalyzed trans-silylation with olefins, leading to novel styrylsilatranes in high yields.     

Evaluation of sphingomyelin,cholester, and phosphatidylcholine-based immobilized artificial membrane liquid chromatography to predict drug penetration across the blood-brain barrier

Over the past decades, several in vitro methods have been tested for their ability to predict drug penetration across the blood-brain barrier. So far, in high-performance liquid chromatography, most attention has been paid to micellar liquid chromatography and immobilized artificial membrane (IAM) LC. IAMLC has been described as a viable approach, since the stationary phase emulates the lipid environment of a cell membrane. However, research in IAMLC has almost exclusively been limited to phosphatidylcholine (PC)-based stationary phases, even though PC is only one of the lipids present in cell membranes. In this article, sphingomyelin and cholester stationary phases have been tested for the first time towards their ability to predict drug penetration across the blood-brain barrier. Upon comparison with the PC stationary phase, the sphingomyelin- and cholester-based columns depict similar predictive performance. Combining data from the different stationary phases did not lead to improvements of the models. Figure

Schematic representation of how IAM-LC is used to predict drug penetration across the blood-brain barrier.     

Interplay between spinodal decomposition and glass formation in proteins exhibiting short-range attractions

We investigate the competition between spinodal decomposition and dynamical arrest using aqueous solutions of the globular protein lysozyme as a model system for colloids with short-range attractions. We show that quenches below a temperature Ta lead to gel formation as a result of a local arrest of the protein-dense phase during spinodal decomposition. The rheological properties of these gels allow us to use centrifugation experiments to determine the local densities of both phases and to precisely locate the gel boundary and the attractive glass line close to and within the unstable region of the phase diagram.     

Combining Complex and Radial Slave Boson Fields within the Kotliar–Ruckenstein Representation of Correlated Impurities

The gauge symmetry group of any slave boson representation allows to gauge away the phase of bosonic fields. One benefit of this radial field formulation is the elimination of spurious Bose condensations when saddle-point approximation is performed. Within the Kotliar–Ruckenstein representation, three of the four bosonic fields can be radial while the last one has to remain complex. In this work, the procedure to carry out the functional integration involving constrained fermionic fields, complex bosonic fields, and radial bosonic fields is presented. The correctness of the representation is verified by exactly evaluating the partition function and the Green's function of the Hubbard model in the atomic limit.     

Landau-Level Quantization of the Yellow Excitons in Cuprous Oxide

Lately, the yellow series of P-excitons in cuprous oxide could be resolved up to the principal quantum number n = 25. Adding a magnetic field, leads to additional confinement normal to the field. Thereby, the transition associated with the exciton n is transformed into the transition between the electron and hole Landau levels with quantum number n, once the associated magnetic length becomes smaller than the related exciton Bohr radius. The magnetic field of this transition scales roughly as n^–3. As a consequence of the extended exciton series, we are able to observe Landau level transitions with unprecedented high quantum numbers of more than 75.