Lattice parameter of sodium close to the melting point

We report high precision lattice parameter measurements (Δa/a < 10^?6) of high purity sodium single crystals close to the melting transition. Data were taken by a neutron-double crystal-back-scattering device. Just below the melting point a decrease in the lattice parameter is observed. This effect is discussed in terms of the defect structure and the limit of stability in the crystalline solid state.     

Martensitic transformation in Ni-Mn-Ga alloys

Single crystals of different compositions in shape memory alloys Ni-Mn-Ga have been studied by electron and low temperature X-ray diffraction as well as by differential scanning calorimetry. It is shown that the cooling-induced martensitic phases are long-periodic ones modulated along the (110) directions by a transverse wave of atomic shifts with 5 and 7 atomic layers periodicity for the alloys studied exhibiting a martensitic transformation at 180 K and 446 K, respectively. The transformation heats appeared to be about 10 times different for both alloys.     

Description and interpretation of the bracts epidermis of Gramineae (Poaceae) with rotated image with maximum average power spectrum (RIMAPS) technique

During the last few years, RIMAPS technique has been used to characterize the micro-relief of metallic surfaces and recently also applied to biological surfaces. RIMAPS is an image analysis technique which uses the rotation of an image and calculates its average power spectrum. Here, it is presented as a tool for describing the morphology of the trichodium net found in some grasses, which is developed on the epidermal cells of the lemma. Three different species of grasses (herbarium samples) are analyzed: Podagrostis aequivalvis (Trin.) Scribn. & Merr., Bromidium hygrometricum (Nees) Nees & Meyen and Bromidium ramboi (Parodi) Rúgolo. Simple schemes representing the real microstructure of the lemma are proposed and studied. RIMAPS spectra of both the schemes and the real microstructures are compared. These results allow inferring how similar the proposed geometrical schemes are to the real microstructures. Each geometrical pattern could be used as a reference for classifying other species. Finally, this kind of analysis is used to determine the morphology of the trichodium net of Agrostis breviculmis Hitchc. As the dried sample had shrunk and the microstructure was not clear, two kinds of morphology are proposed for the trichodium net of Agrostis L., one elliptical and the other rectilinear, the former being the most suitable.     

High sensitivity sensing of nitroaromatic explosive vapors based on polytriphenylamines with AIE‐active tetraphenylethylene side groups

Two polytriphenylamines (PTPAs) (P1 and P2) with aggregation induced emission (AIE)‐active tetraphenylethylene side groups have been designed and successfully synthesized. Both polymers only faintly emit in dilute solution but show strong emission in aggregated state, meaning that they are AIE‐active. The detection of 1,3,5‐trinitrobenzene (TNB) vapors has been investigated by photoluminescence (PL) quenching in polymer films. High solid state quantum yields and donor‐acceptor interactions of the electron‐rich PTPA chains with the TNB analyte, hereby, induce a high sensing sensitivity, both for P1 and P2 films towards TNB vapor. Contacting thin P1 and P2 films with saturated TNB vapor, the PL intensity was quenched by 85% for P1 and 89% for P2 within 600 s, respectively. The sensing process is reversible, >90% of the PL is recovered, also after repeated cycling. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2014 , 53, 1753–1761     

Determination of cocaine adulterants in human urine by dispersive liquid-liquid microextraction and high-performance liquid chromatography

Analytical and Bioanalytical Chemistry - This study aimed to determine simultaneously five major street cocaine adulterants (caffeine, lidocaine, phenacetin, diltiazem, and hydroxyzine) in human...     

Generalized gradient approximation adjusted to transition metals properties: Key roles of exchange and local spin density

Perdew-Burke-Ernzerhof (PBE) and PBE adapted for solids (PBEsol) are exchange-correlation (xc) functionals widely used in density functional theory simulations. Their differences are the exchange, μ, and correlation, β, coefficients, causing PBEsol to lose the Local Spin Density (LSD) response. Here, the μ/β two-dimensional (2D) accuracy landscape is analyzed between PBE and PBEsol xc functional limits for 27 transition metal (TM) bulks, as well as for 81 TM surfaces. Several properties are analyzed, including the shortest interatomic distances, cohesive energies, and bulk moduli for TM bulks, and surface relaxation degree, surface energies, and work functions for TM surfaces. The exploration, comparing the accuracy degree with respect experimental values, reveals that the found xc minimum, called VV, being a PBE variant, represents an improvement of 5% in mean absolute percentage error terms, whereas this improvement reaches ~11% for VVsol, a xc resulting from the restoration of LSD response in PBEsol, and so regarded as its variant.