Defect interaction and solid electrolyte transition in AgI-based materials

The first-order phase transition that leads to the superionic phase in AgI-based materials is studied by dc-conductivity measurements and a free energy model. By properly adjusting the model parameters, an abrupt change of disordering concentration, Δη?, is predicted at a transition temperature, T_t. The temperature dependence of the dc-conductivity, σ(T), is well fitted to the η?(T) equilibrium configuration obtained from the trial free energy function. The reported comparative study was done using an AgI–KI modified sample. The model also predicts a transition temperature, T_c for a continuous phase transition (Δη? = 0).     

φ production in In–In collisions at 158 A GeV

The NA60 experiment has measured muon pair production in In–In collisions at 158 AGeV at the CERN SPS. This paper presents a high statistics measurement of φ→μ μ meson production. Differential spectra, yields, mass and width are measured as a function of centrality and compared to previous measurements in other colliding systems at the same energy. The width of the rapidity distribution is found to be constant as a function of centrality, compatible with previous results. The decay muon polar angle distribution is measured in several reference frames. No evidence of polarization is found as a function of transverse momentum and centrality. The analysis of the p _T spectra shows that the φ has a small radial flow, implying a weak coupling to the medium. The T _eff parameter measured in In–In collisions suggests that the high value observed in Pb–Pb in the kaon channel is difficult to reconcile with radial flow alone. The absolute yield is compared to results in Pb–Pb collisions: though significantly smaller than measured by NA50 in the muon channel, it is found to exceed the NA49 and CERES data in the kaon channel at any centrality. The mass and width are found to be compatible with the PDG values at any centrality and at any p _T : no evidence for in-medium modifications is observed.     

Secondary interactions in the iso­morphous compounds 2,6‐bis­(chloro­methyl)­pyridinium chloride and 2,6‐bis­(bromo­methyl)­pyridinium bromide

The title compounds, C₇H₈Cl₂N⁺·Cl⁻ and C₇H₈Br₂N⁺·Br⁻, are isomorphous. In the crystal packing, layers parallel to the ac plane are formed by a classical N⁺—H⋯X⁻ hydrogen bond (X = halogen) and two X⋯X contacts. A third X⋯X contact links the layers, and a fourth, which is however very long, completes a ladder‐like motif of halogen atoms. Hydro­gen bonds of the form C—H⋯X play at best a subordinate role in the packing.     

Surface tension and adsorption behavior of mixtures of diacyl glycerol arginine-based surfactants with DPPC and DMPC phospholipids

The binary surface interactions of some novel cationic diacyl glycerol arginine-based surfactants with model phospholipids, which are often used as model membrane components, are studied at 25 °C in aqueous solutions of 0.1 M sodium chloride. The surfactants are 1,2-dimyristoyl-rac-glycero-3-O-(N^α-acetyl-l-arginine) hydrochloride (1414RAc) and 1,2-dilauroyl-rac-glycero-3-O-(N^α-acetyl-l-arginine) hydrochloride (1212RAc), and they are important as potential antimicrobial agents which are biodegradable and with less toxicity than other cationic surfactants. The phospholipids are 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DPPC) and 1,2-dimyristoyl-sn-glycero-3-phosphatidylcholine (DMPC). The equilibrium and dynamic surface tension of each surfactant, each phospholipid, and some of their binary mixtures are studied using the bubble surfactometry method at constant area or pulsating area conditions. In addition, the surface densities of pure and mixed monolayers of these compounds at the air/water interface are probed with infrared reflection–absorption spectroscopy (IRRAS). Steady state and dynamic surface tension synergism, or antisynergism in one case, and synergistic adsorption effects are detected for the mixed dispersions studied. The enhanced adsorption detected with IRRAS, and the enhanced dynamic and steady state surface tension lowering indicate strong miscibility and net attractive interactions between the compounds in the adsorbed mixed monolayers.     

A novel second-order standard addition analytical method based on data processing with multidimensional partial least-squares and residual bilinearization

In the presence of analyte-background interactions and a significant background signal, both second-order multivariate calibration and standard addition are required for successful analyte quantitation achieving the second-order advantage. This report discusses a modified second-order standard addition method, in which the test data matrix is subtracted from the standard addition matrices, and quantitation proceeds via the classical external calibration procedure. It is shown that this novel data processing method allows one to apply not only parallel factor analysis (PARAFAC) and multivariate curve resolution-alternating least-squares (MCR-ALS), but also the recently introduced and more flexible partial least-squares (PLS) models coupled to residual bilinearization (RBL). In particular, the multidimensional variant N-PLS/RBL is shown to produce the best analytical results. The comparison is carried out with the aid of a set of simulated data, as well as two experimental data sets: one aimed at the determination of salicylate in human serum in the presence of naproxen as an additional interferent, and the second one devoted to the analysis of danofloxacin in human serum in the presence of salicylate.     

Lowering Energy Barriers in Surface Reactions through Concerted Reaction Mechanisms

Any technologically important chemical reaction typically involves a number of different elementary reaction steps consisting of bond‐breaking and bond‐making processes. Usually, one assumes that such complex chemical reactions occur in a step‐wise fashion where one single bond is made or broken at a time. Using first‐principles calculations based on density functional theory we show that the barriers of rate‐limiting steps for technologically relevant surface reactions are significantly reduced if concerted reaction mechanisms are taken into account.     

Characterization of mineral phases of agricultural soil samples of Colombian coffee using M?ssbauer spectroscopy and X-ray diffraction

Friedreich ataxia is a disease that is associated with defects in the gene coding for a small protein frataxin. Several different roles have been proposed for the protein, including iron chaperoning and iron storage. M?ssbauer spectroscopy was used to probe these hypotheses. Iron accumulation in mutant mitochondria unable to assemble iron sulfur clusters proved to be insensitive to overexpression of frataxin, ruling out its potential involvement as an iron storage protein similar to ferritin. Rather, it was found that frataxin negatively regulates iron sulfur cluster assembly.     

Variable neighborhood search with ejection chains for the antibandwidth problem

In this paper, we address the optimization problem arising in some practical applications in which we want to maximize the minimum difference between the labels of adjacent elements. For example, in the context of location models, the elements can represent sensitive facilities or chemicals and their labels locations, and the objective is to locate (label) them in a way that avoids placing some of them too close together (since it can be risky). This optimization problem is referred to as the antibandwidth maximization problem (AMP) and, modeled in terms of graphs, consists of labeling the vertices with different integers or labels such that the minimum difference between the labels of adjacent vertices is maximized. This optimization problem is the dual of the well-known bandwidth problem and it is also known as the separation problem or directly as the dual bandwidth problem. In this paper, we first review the previous methods for the AMP and then propose a heuristic algorithm based on the variable neighborhood search methodology to obtain high quality solutions. One of our neighborhoods implements ejection chains which have been successfully applied in the context of tabu search. Our extensive experimentation with 236 previously reported instances shows that the proposed procedure outperforms existing methods in terms of solution quality.     

Water Evaporation Versus Condensation in a Hygroscopic Soil

The liquid/vapour phase change of water in soil is involved in many environmental geotechnical processes. In the case of hygroscopic soils, the liquid water is strongly adsorbed on the solid phase and this particular thermodynamic state can highly influence the phase change kinetics. Based on the linear Thermodynamic of Irreversible Processes ideas, the non-equilibrium phase change rate is written as a linear function of the water chemical potential difference between the liquid and vapour state. In this relation, the system is characterized by a phenomenological coefficient that depends on the state variables. Using an original experimental set-up able to analyze the response of a porous medium subjected to non-equilibrium conditions, the phase change coefficient is determined in various configurations. This paper focuses on the influence of the gas phase pressure and underlines that a low gas pressure decreases the phase change kinetics. Then, evaporation and condensation processes are compared showing an asymmetric behaviour. These experimental results are interpreted from a microscopic point of view by relying on recent works dealing with molecular dynamics numerical simulation of the liquid/gas interface.