A chiral molecular conductor: synthesis, structure, and physical properties of [ET]3[Sb2(L-tart)2].CH3CN (ET = bis(ethylendithio)tetrathiafulvalene; L-tart = (2R,3R)-(+)-tartrate)

The salt [ET](3)[Sb(2)(L-tart)(2)].CH(3)CN (1) has been obtained by electrocrystallization of the organic donor bis(ethylendithio)tetrathiafulvalene (ET or BEDT-TTF) in the presence of the chiral anionic complex [Sb(2)(L-tart)(2)](2-) (L-tart = (2R,3R)-(+)-tartrate). This salt crystallizes in the chiral space group P2(1)2(1)2(1) (a = 11.145(2) angstroms, b = 12.848(2) angstroms, c = 40.159(14) angstroms, V = 5750.4(14) angstroms(3), Z = 4) and is formed by alternating layers of the anions and of the organic radicals in a noncentrosymmetric alpha-type packing. This compound shows a room temperature electrical conductivity of approximately 1 S.cm(-1) and semiconducting behavior with an activation energy of approximately 85 meV. Analysis of the magnetic susceptibility and band structure, however, suggests that this compound should be a narrow band gap semiconductor.     

Study of the stabilization energies of halide-water clusters: an application of first-principles interaction potentials based on a polarizable and flexible model

The aim of this work is to compute the stabilization energy E(stab)(n) of [X(H(2)O)(n)](-) (X identical with F, Br, and I for n=1-60) clusters from Monte Carlo simulations using first-principles ab initio potentials. Stabilization energy of [X(H(2)O)(n)](-) clusters is defined as the difference between the vertical photodeachment energy of the cluster and the electron affinity of the isolated halide. On one hand, a study about the relation between cluster structure and the E(stab)(n) value, as well as the dependence of the latter with temperature is performed, on the other hand, a test on the reliability of our recently developed first-principles halide ion-water interaction potentials is carried out. Two different approximations were applied: (1) the Koopmans' theorem and (2) calculation of the difference between the interaction energy of [X(H(2)O)(n)](-) and [X(H(2)O)(n)] clusters using the same ab initio interaction potentials. The developed methodology allows for using the same interaction potentials in the case of the ionic and neutral clusters with the proviso that the charge of the halide anion was switched off in the latter. That is, no specific parametrization of the interaction potentials to fit the magnitude under study was done. The good agreement between our predicted E(stab)(n) and experimental data allows us to validate the first-principles interaction potentials developed elsewhere and used in this study, and supports the fact that this magnitude is mainly determined by electrostatic factors, which can be described by our interaction potentials. No relation between the value of E(stab)(n) and the structure of clusters has been found. The diversity of E(stab)(n) values found for different clusters with similar interaction energy indicates the need for statistical information to properly estimate the stabilization energy of the halide anions. The effect of temperature in the prediction of the E(stab)(n) is not significant as long as it was high enough to avoid cluster trapping into local equilibrium configurations which guarantees an appropriate sampling of the configurational space. Parallel tempering method was applied in particular cases to guarantee satisfactory sampling of clusters at low temperature.     

Development of a Sequential Injection Analysis Device for the Determination of Total Polyphenol Index in Wine

A sequential injection analysis method is developed for the determination of the total polyphenol index in wines. The determination is based on the Folin-Ciocalteu reaction, which is monitored spectrophotometrically. Interactions between experimental variables and their optimal levels were investigated using factorial designs. The proposed system is fully computerised and is able to monitor polyphenol index in real samples of white, sweet and red wines. The calibration graph is linear from 5 to 200mg·L^–1 using Tannic acid as standard, with a detection limit of 3.2mg·L^–1. Interferences are studied. For validation purposes the proposed methodology was applied to the determination of the total polyphenol index in different types of wines and compared with earlier alternatives in order to assess their performance.     

Efficient synthesis of enantiomerically pure alpha-alkyl cyclopropanecarbonitrile derivatives from pyrazolines

[reaction: see text] Thermolysis of enantiopure sulfonyl pyrazolines 4 and 5, easily obtained from (Z)-3-p-tolylsulfinylacrylonitriles (1), afforded sulfonyl cyclopropanes (6, 7) in a completely stereoselective manner in almost quantitative yields. Both cyclopropanes and alkylidenecyclopropanes, containing one or two chiral carbon atoms, one of them being quaternary, were obtained by hydrogenolysis of the C-S bonding and under the conditions reported by Julia, respectively. The highly stereoselective extrusion of nitrogen suggests a concerted mechanism.     

Equivariant local Epsilon Constants and Etale Cohomology

A conjecture is formulated which relates the equivariant localepsilon constant of a Galois extension of p-adic fields to anatural algebraic invariant coming from étale cohomology.Some evidence for the conjecture is provided and its relationto a conjecture for the equivariant global epsilon constantof an extension of number fields formulated by Bley and Burnsis established.     

Schopenhauer's Prolegomenon to Fuzziness

Prolegomenon means something said in advance of something else. In this study, we posit that part of the work by Arthur Schopenhauer (1788–1860) can be thought of as a prolegomenon to the existing concept of fuzziness. His epistemic framework offers a comprehensive and surprisingly modern framework to study individual decision making and suggests a bridgeway from the Kantian program into the concept of fuzziness, which may have had its second prolegomenon in the work by Frege, Russell, Wittgenstein, Peirce and Black. In this context, Zadeh's seminal contribution can be regarded as the logical consequence of the Kant-Schopenhauer representation framework.     

Classification of Material <Emphasis Type="Italic">G</Emphasis>-Structures

A geometrical interpretation of the G-structures associated to elastic material bodies is given. In addition, characterizations of their integrability are obtained. Since the lack of integrability is a geometrical measure of the lack of homogeneity, the corresponding inhomogeneity conditions are obtained.     

Remote characterization of defects in plates with viscoelastic coatings using guided waves

The remote inspection for defects in large metallic elements such as pipes, tubes and plates is a field where guided waves are being applied with success. There are a number of situations where a surface coating is added for corrosion protection or insulation purposes. Since the coating materials are usually viscoelastic, the guided wave inspection range may be severely reduced unless a proper mode and an adequate frequency range is selected. Previous authors found the existence of low-attenuated modes at certain frequency ranges, which were used to detect and locate defects at reasonably large distances. This paper studies the potential of guided waves for not only locating but also sizing defects in plates with viscoelastic coatings. A hybrid finite element-boundary element method which explicitly includes the attenuating characteristics of the coating is used to determine Lamb and SH mode conversion factors at corrosion defects under the coating. Through parametric studies and analysis of the numerical results, some trends and features are highlighted that could be used for sizing purposes.     

Phase modulation by polarization recording in bacteriorhodopsin: application to phase-shifting interferometry

A novel phase-control method with application to phase-shifting interferometry is presented. The linear polarization state of an external (green) light beam is recorded on a bacteriorhodopsin film, and this polarization state is read by a circular polarized (red) laser beam. By reading the bacteriorhodopsin film, the original (red) wave reverses its circularity and becomes phase shifted by an amount that is dependent on the polarization of the external (green) beam. This method of phase control can be applied in a two-beam interferometer in which the test and reference waves are orthogonally polarized, which allows one to obtain phase modulation without moving parts inside the interferometer.     

Spectral Talbot-like phenomena in one-dimensional photonic bandgap structures

Using numerical simulations, we report the observation of a new effect--a spectral Talbot-like effect--in one-dimensional photonic bandgap structures, particularly sampled chirped fiber Bragg gratings. We derive the general conditions for which spectral Talbot-like phenomena, namely, integer and fractional spectral self-imaging, can be observed and relate them to the physical grating parameters.