Inference of a minimum size boolean function from examples by using a new efficient branch-and-bound approach

This paper deals with the problem of identifying a hidden Boolean function : 0, 1' 0, 1 from positive and negative examples. This problem is of paramount importance in many real life applications of artificial intelligence. The method proposed in this paper is based on a branch-and-bound approach. This approach is an expansion of some earlier work (Triantaphyllouet al., 1994). Computational results, comparing the new method with one based on Karmakar's interior point method, suggest that the new method is very efficient.     

Steady shear banding in complex fluids

Shear banding (SB) is manifested by the abrupt “demixing” of the flow into regions of high and low shear rate. In this paper, we first relate analytically the rheological parameters of the fluid with the range of shear rates and stresses of SB occurrence. For this, we accept that the origin of shear banding is constitutive, and adopt a non-linear viscoelastic expression able to accommodate the double-valuedness of the stress with flow intensity, under certain conditions. We then implement the model for the case of pressure driven flow through a cylindrical pipe; we derive approximate expressions for the velocity profile in the two-banded regions (core and outer annular), the overall throughput in the presence or absence of “spurt”, and the radial location limits of the shear rate discontinuity.     

Modern Modelling Methods in Drying

Several modern modelling techniques are presented as tools for drying science and technology, namely pore networks, discrete element method and population balances. After first presenting results from their own research, the authors indicate what future contributions to a better understanding of the drying process at different levels—single porous particles, agitated and fluidised beds—may be expected.     

Electrode kinetic phenomena of solid state ionic devices

With the development of functional materials with high ionic and combined ionicelectronic conductivity, the engineering of interfaces became prerequisite. Technological applications demand combinations of materials with different electrical properties to form junctions. The occurring kinetic electrode phenomena play a significant role to the overall performance and may be rate determining. We show here the significance of the equilibration between platinum and the solid electrolyte with respect to the response time in potentiometric oxygen sensors. Fundamental aspects of voltage generation are discussed as well, and the response time is correlated to the equilibration along the contact zone between platinum and the electrolyte. A common problem of potentiometric devices for gas sensing applications is the cross sensitivity to species other than those under detection. The proposed kinetic method based on the theta concept is investigated for selective detection in the presence of a multiple number of complex gases by employing a single electrochemical cell. Information from current-voltage plots is converted to generate complex plane plot for the Fourier coefficients. The various polarizations under the applied electric perturbation are modelled and compared to experimental data for the determination of the rate determining processes.     

1H NMR determination of hypericin and pseudohypericin in complex natural mixtures by the use of strongly deshielded OH groups

The ¹H NMR spectra of the commercially available compounds hypericin and its derivative pseudohypericin in CD₃OH solutions indicate significantly deshielded signals in the region of 14-15 ppm. These resonances are attributed to the peri hydroxyl protons OH(6), OH(8) and OH(1), OH(13) of hypericins which participate in a strong six-membered ring intramolecular hydrogen bond with CO(7) and CO(14), respectively, and therefore, they are strongly deshielded. In the present work, we demonstrate that one-dimensional ¹H NMR spectra of hypericin and pseudohypericin, in Hypericum perforatum extracts show important differences in the chemical shifts of the hydroxyl groups with excellent resolution in the region of 14-15 ppm. The facile identification and quantification of hypericin and its derivative compound pseudohypericin was achieved, without prior HPLC separation, for two H. perforatum extracts from Greek cultivars and two commercial extracts: a dietary supplement, and an antidepressant medicine. The results were compared with those obtained from UV-vis and LC/MS measurements.     

Are Two‐Station Biased Random Walkers Always Potential Molecular Motors?

The short answer to the title question is no. Despite their tremendous complexity, many nanomachines are simply one‐dimensional systems undergoing a biased, that is, unidirectional, walk on a two‐minima potential energy curve. The initially prepared state, or station, is higher in energy than the final equilibrium state that is reached after overcoming an energy barrier. All chemical reactions comply with this scheme, which does not necessarily imply that a generic chemical reaction is a potential molecular motor. If the barrier is low, the system may walk back and the motion will have a large purely Brownian component. Alternatively, a large distance from the barrier of either of the two stations may introduce a Brownian component. Starting from a general inequality that leverages on the idea that the amount of heat dissipated along the potential energy curve is a good indication of the effectiveness of the biased walk, we provide guidelines for the selection of the features of artificial molecular motors.     

In situ SAXS investigation of dibromomethane adsorption in ordered mesoporous silica

A SAXS/WAXS apparatus with the aid of a specially designed sample cell capable for performing both SAXS and WAXS experiments was used for adsorption studies in nanoporous materials. The applicability of the instrument for structural investigations and its ability for adsorption experiments because of the advanced sample environment were demonstrated by carrying out in situ SAXS measurements during gas physisorption. SAXS profiles of ordered mesoporous silica were measured at selected equilibrium points alongside a dibromomethane (CH₂Br₂) adsorption isotherm at 293 K. SBA-15 was the adsorbent of choice because it consists of a regular 2D hexagonal array of cylindrical mesopores that gives rise to Bragg reflections in the small-angle regime. CH₂Br₂ was selected as a contrast-matching fluid because it has almost the same electron density as silica. We obtained high-quality data comparable to those resulting from experiments performed in synchrotron light sources which produce intense beams of x-rays and support advanced instrumentation for high-resolution diffraction and SAXS studies. The Bragg peaks of the pore lattice are clearly visible for the evacuated sample and at the early stages of the adsorption process. The intensity decrease and the elimination of the Bragg peaks for the saturated sample suggest that an almost perfect contrast matching was achieved. A model has been used for monitoring the fluid condensation and evaporation regime in SBA-15 by taking into account both the Bragg scattering and the diffuse scattering for spatially random pore filling. The results show the absence of spatial correlations between filled pores suggesting random pore filling.