Local Disorder in Hydrogen Storage Compounds: The Case of Lithium Amide/Imide

Amides and imides of alkali metals are a very promising class of materials for use as a hydrogen‐storage system, as they are able to store and release hydrogen via a chemical route at controllable temperatures and pressures. We critically revise the present picture of the atomic structure of the lightest member (LiNH₂/Li₂NH) by using a combined computational and experimental approach. Specifically, ab initio path integral molecular dynamics simulations and solid‐state ¹H NMR techniques are combined. The results show that the presently assumed local structure might be inconsistent or at least incomplete and needs considerable revision. In particular, the Li atoms turn out to be more mobile and more disordered than suggested by structural data obtained from X‐ray scattering. Also, the configuration of the hydrogen atoms, which is accessible via the NMR experiment and the corresponding first‐principles calculations, is different from the previously assumed data. The computed and experimentally observed ¹H NMR parameters are in very good mutual agreement and illustrate the unusual chemical environment of the hydrogen atoms in this system. Incorporating our results on the new lithium data, we show that the effect of nuclear quantum delocalization for the hydrogen atoms is considerably reduced compared to the perfect crystal structure.     

Site-directed mutagenesis combined with oxidative methionine labeling for probing structural transitions of a membrane protein by mass spectrometry

Exposure of the membrane protein bacteriorhodopsin (BR) to SDS induces partial breakdown of the native conformation. The exact structural properties of this SDS state remain a matter of debate, despite its widespread use in BR folding experiments. The current work employs hydroxyl radical (·OH) labeling in conjunction with mass spectrometry (MS)-based peptide mapping for probing the solvent accessibility of individual BR segments in the presence of SDS. Previous work revealed methionine sulfoxide formation to be the dominant oxidative pathway. Those data suggested extensive unfolding of helices A and D in SDS. Unfortunately, the lack of Met residues in helices C and F implies that no direct information on the behavior of the latter two elements could be obtained. Here, we address this problem by employing two variants with additional Met residues, L93M (helix C) and V179M (helix F). The oxidation behavior of the resulting 11 methionines can be grouped into three categories: (1) extensively labeled both in native BR and in SDS (loop residues M32, M68, and M163); (2) protected in the native state but not in SDS (M20, M118); (3) always protected (M56, M60, M93, M145, M179, M209). These data show that a solvent-inaccessible core is retained in SDS. This core consists of partially intact helices B, C, E, F, and G. The termini of these helices are highly dynamic and/or unraveled, particularly on the cytoplasmic side. Overall, this work demonstrates how the use of engineered ·OH labeling sites can provide insights into structural properties of membrane proteins.     

On the expected longest length probe sequence for hashing with separate chaining

Hashing is a widely used technique for data organization. Hash tables enable a fast search of the stored data and are used in a variety of applications ranging from software to network equipment and computer hardware. One of the main issues associated with hashing are collisions that cause an increase in the search time. A number of alternatives have been proposed to deal with collisions. One of them is separate chaining, in which for each hash value an independent list of the elements that have that value is stored. In this scenario, the worst case search time is given by the maximum length of that list across all hash values. This worst case is often referred to as Longest Length Probe Sequence (llps) in the literature. Approximations for the expected longest length probe sequence when the hash table is large have been proposed and an exact analytical solution has also been presented in terms of a set of recurring equations. In this paper, a novel analytical formulation of the expected longest length probe sequence is introduced. The new formulation does not require a recursive computation and can be easily implemented in a symbolic computation tool.     

Local Well-Posedness for Membranes in the Light Cone Gauge

In this paper we consider the classical initial value problem for the bosonic membrane in light cone gauge. A Hamiltonian reduction gives a system with one constraint, the area preserving constraint. The Hamiltonian evolution equations corresponding to this system, however, fail to be hyperbolic. Making use of the area preserving constraint, an equivalent system of evolution equations is found, which is hyperbolic and has a well-posed initial value problem. We are thus able to solve the initial value problem for the Hamiltonian evolution equations by means of this equivalent system. We furthermore obtain a blowup criterion for the membrane evolution equations, and show, making use of the constraint, that one may achieve improved regularity estimates.     

Simultaneous measurements of multiple flow velocity components using frequency modulated lasers and a single molecular absorption cell

Since unsteady, complex flow phenomena play an important role, optical measurements techniques are required for flow investigations, which provide simultaneous measurements of multiple velocity components. Doppler global velocimetry has this potential. It is a flow measurement technique, where the Doppler shift of scattered light is measured by a molecular absorption cell for frequency-to-intensity conversion. However, novel Doppler global velocimeters with laser frequency modulation were only used for single component measurements yet. In order to enhance such a system for the simultaneous measurement of multiple components, a concept based on frequency division multiplexing is introduced for the first time. Besides multiple lasers, only a single molecular absorption cell and a single detector unit is required. Two-component measurements of velocity profiles from nozzle flows are presented as a proof of principle. The designed measurement system provides high measurement rates of up to 20 kHz, which is three orders of magnitude higher than for typical Doppler global velocimetry setups.     

Exact crossover Green function in the two-channel and two-impurity Kondo models

Symmetry-breaking perturbations destabilize the critical points of the two-channel and two-impurity Kondo models, thereby leading to a crossover from non-Fermi liquid behavior to standard Fermi liquid physics. Here we use an analogy between this crossover and one occurring in the boundary Ising model to calculate the full crossover Green function analytically. In remarkable agreement with our numerical renormalization group calculations, the single exact function applies for an arbitrary mixture of the relevant perturbations in each model. This rich behavior resulting from finite channel asymmetry, interlead charge transfer, and/or magnetic field should be observable in quantum dot or tunneling experiments.     

Axonal outgrowth is associated with increased ERK 1/2 activation but decreased caspase 3 linked cell death in Schwann cells after immediate nerve repair in rats

Background  

Extracellular-signal regulated kinase (ERK1/2) is activated by nerve damage and its activation precedes survival and proliferation of Schwann cells. In contrast, activation of caspase 3, a cysteine protease, is considered as a marker for apoptosis in Schwann cells. In the present study, axonal outgrowth, activation of ERK1/2 by phosphorylation (p-ERK 1/2) and immunoreactivity of cleaved caspase 3 were examined after immediate, delayed, or no repair of transected rat sciatic nerves.     

3D ultrasound reconstruction algorithms from analog and digital data

Freehand 3D ultrasound is increasingly being introduced in the clinic for diagnostics and image-assisted interventions. Various algorithms exist for combining 2D images of regular ultrasound probes to 3D volumes, being either voxel-, pixel- or function-based. Previously, the most commonly used input to 3D ultrasound reconstruction has been digitized analog video. However, recent scanners that offer access to digital image frames exist, either as processed or unprocessed data. To our knowledge, no comparison has been performed to determine which data source gives the best reconstruction quality. In the present study we compared both reconstruction algorithms and data sources using novel comparison methods for detecting potential differences in image quality of the reconstructed volumes. The ultrasound scanner used in this study was the Sonix RP from Ultrasonix Medical Corp (Richmond, Canada), a scanner that allow third party access to unprocessed and processed digital data. The ultrasound probe used was the L14-5/38 linear probe. The assessment is based on a number of image criteria: detectability of wire targets, spatial resolution, detectability of small barely visible structures, subjective tissue image quality, and volume geometry. In addition we have also performed the more “traditional” comparison of reconstructed volumes by removing a percentage of the input data. By using these evaluation methods and data from the specific scanner, the results showed that the processed video performed better than the digital scan-line data, digital video being better than analog video. Furthermore, the results showed that the choice of video source was more important than the choice of tested reconstruction algorithms.     

Z charmoniumlike mesons

A brief review of the experimental situation concerning the electrically charged charmoniumlike meson candidates, Z^-, is presented.