A Spectral-SAR Model for the Anionic-Cationic Interaction in Ionic Liquids: Application to Vibrio fischeri Ecotoxicity

Within the recently launched the spectral-structure activity relationship (S-SAR) analysis, the vectorial anionic-cationic model of a generic ionic liquid is proposed, along with the associated algebraic correlation factor in terms of the measured and predicted activity norms. The reliability of the present scheme is tested by assessing the Hansch factors, i.e. lipophylicity, polarizability and total energy, to predict the ecotoxicity endpoints of wide types of ionic liquids with ammonium, pyridinium, phosphonium, choline and imidazolium cations on the aquatic bacteria Vibrio fischeri. The results, while confirming the cationic dominant influence when only lipophylicity is considered, demonstrate that the anionic effect dominates all other more specific interactions. It was also proved that the S-SAR vectorial model predicts considerably higher activity for the ionic liquids than for its anionic and cationic subsystems separately, in all considered cases. Moreover, through applying the least norm-correlation path principle, the complete toxicological hierarchies are presented, unfolding the ecological rules of combined cationic and anionic influences in ionic liquid toxicity.     

Friction-based sorting

Since computer processing mainly depends on sorting and searching methods, a key problem is how to design efficient algorithms in order to solve such problems. This paper describes a new nature-inspired mechanism (called Friction-based Sorting) capable of sorting a given set of numbers. The main idea behind this mechanism is to associate a ball (whose weight is proportional to the considered number) to each number. All the balls being allowed to fall in the presence of friction, the heaviest ball (which corresponds to the greatest input number) will reach the ground first and the lightest ball (associated with the smallest number) will reach the ground last. The proposed mechanism is analyzed, together with its strengths and weaknesses.     

Synthesis and characterization of polyurethane cationomer/MMT hybrid composite

BACKGROUND: The development of polymeric nanocomposites incorporating intercalated or exfoliated layered silicate clays into the organic matrix has been substantially motivated by the significant improvements induced by the presence of the inorganic component. Moreover, understanding and controlling the dispersion of inorganic layers into segmented polyurethane matrices by means of ionic interactions, and exploiting these interactions to enhance physicomechanical behaviour, could be of great interest in the field of polymer nanocomposites. RESULTS: New cationic polyurethane elastomers were prepared starting from poly(butylene adipate)diol (M_n = 1000 g mol^?1), 4,4′‐diphenylmethane diisocyanate, 1,4‐butanediol and N‐methyldiethanolamine or N,N′‐β‐hydroxyethylpiperazine, used as potential quaternizable moieties. The characterization of the polymers was achieved using specific analyses employed for the macromolecular samples (Fourier transform infrared and ¹H NMR spectroscopy, thermogravimetric analysis (TGA), gel permeation chromatography). An extension of our research on polymers reinforced with organically modified montmorillonite (OM‐MMT) in order to prepare hybrid composites with improved properties was performed and the resulting materials were characterized using TGA, X‐ray diffraction, atomic force microscopy and scanning electron microscopy. Also, the mechanical properties of the cationic polyurethane/OM‐MMT composites were investigated in comparison with the pristine ionic/non‐ionic polymers and their composites containing non‐ionic polymer blended with OM‐MMT or ionic polymer and unmodified MMT. CONCLUSION: The insertion of the organically modified clay into the polymeric matrix gave an improvement of the mechanical properties of the polyurethane composites, especially the tensile strength and stiffness of the hybrid materials. Copyright © 2009 Society of Chemical Industry     

THE DISCIPLE–RKF LEARNING AND REASONING AGENT

Over the years we have developed the Disciple theory, methodology, and family of tools for building knowledge-based agents. This approach consists of developing an agent shell that can be taught directly by a subject matter expert in a way that resembles how the expert would teach a human apprentice when solving problems in cooperation. This paper presents the most recent version of the Disciple approach and its implementation in the Disciple–RKF (rapid knowledge formation) system. Disciple–RKF is based on mixed-initiative problem solving , where the expert solves the more creative parts of the problem and the agent solves the more routine ones, integrated teaching and learning , where the agent helps the expert to teach it, by asking relevant questions, and the expert helps the agent to learn, by providing examples, hints, and explanations, and multistrategy learning , where the agent integrates multiple learning strategies, such as learning from examples, learning from explanations, and learning by analogy, to learn from the expert how to solve problems. Disciple–RKF has been applied to build learning and reasoning agents for military center of gravity analysis, which are used in several courses at the US Army War College.     

Influence of the metallic absorption layer on the quality of thermal conductivity measurements by the transient thermo-reflectance method

This work investigates numerically the influence of a metallic absorption layer on the laser-based measurements of the thermal conductivity of dielectric (SiO₂) and semiconductor (Si) electronic materials. The validity of the approach and the obtained results are assessed by comparison with experimental measurements obtained for gold-covered silicon dioxide samples. The results reveal the presence of behaviors associated with thermally thin and thermally thick absorption layers, depending on the ratio between the thickness of the absorption layer and the heat penetration depth. Optimal performance of the transient thermo-reflectance method was found to exist for thicknesses of metal layers falling between the identified thermally thin and thermally thick layers.     

Reversed and Anomalous Doppler Effects in Photonic Crystals and other Time-dependent Periodic Media

We predict that reversed and anomalous non-relativistic Doppler shifts can be observed under some circumstances when light reflects from a shock wave front propagating through a photonic crystal, or material with a periodic modulation of the dielectric. This theoretical prediction is generalizable and applies to wave-like excitations in a variety of periodic media. An experimental observation of this effect has recently been made (Seddon, N. and Bearpark, T. Science, 302 (2003) 1537) and we provide a brief discussion of this experiment.     

Automated imaging, identification, and counting of similar cells from digital hologram reconstructions

This paper presents our method, which simultaneously combines automatic imaging, identification, and counting with the acquisition of morphological information for at least 1000 blood cells from several three-dimensional images of the same sample. We started with seeking parameters to differentiate between red blood cells that are similar but different with respect to their development stage, i.e., mature or immature. We highlight that these cells have different diffractive patterns with complementary central intensity distribution in a given plane along the propagation axis. We use the Fresnel approximation to simulate propagation through cells modeled as spheroid-shaped phase objects and to find the cell property that has the dominant influence on this behavior. Starting with images obtained in the reconstruction step of the digital holographic microscopy technique, we developed a code for automated simultaneous individual cell image separation, identification, and counting, even when the cells are partially overlapped on a slide, and accurate measuring of their morphological features. To find the centroids of each cell, we propose a method based on analytical functions applied at threshold intervals. Our procedure separates the mature from the immature red blood cells and from the white blood cells through a decision based on gradient and radius values.     

Dielectric response and structure of amorphous hydrogenated carbon films with nitrogen admixture

The optical properties and structure of a-C:H films were modified by addition of nitrogen into the CH₄/H₂ deposition mixture. Three films prepared in capacitively coupled rf discharge were compared: (a) hydrogenated diamond like carbon film with hydrogen content of 34% and indentation hardness of 21.7 GPa, (b) hard a-C:H:N film with nitrogen content of 13% and indentation hardness of 18.5 GPa and (c) soft a-C:H:N film with nitrogen content of 10% and indentation hardness of 6.7 GPa. It is shown how the parametrized density of states model describing dielectric response of electronic interband transitions can be applied to modified a-C:H:N and how it can be combined with correct treatment of transmittance measured in infrared range using additional Gaussian peaks in joint density of phonon states. This analysis resulted in determination of film dielectric function in wide spectral range (0.045-30 eV) and provided also information about the density of states of valence and conduction bands and lattice vibrations.     

Addressing the Risk of Surface Water Intrusion in Old Romanian Salt Mines

In Romania, surface waters near underground salt mines represent a significant risk to the stability of the mine workings. Such problems occur in many salt exploiting facilities, i.e. Slanic Prahova, Targu Ocna, Praid. In this paper, the authors present a method of dealing with this issue at the Praid salt mine with research targeted at avoiding the hazard presented by intrusion of surface waters into old mine workings. Monitoring activities are proposed to prevent damage due to the seepage of Corund Creek water into the subsurface salt body, which could compromise and even produce collapses in the salt mine sanatorium and old and new mines.     

Transient thermo-reflectance measurements of the thermal conductivity and interface resistance of metallized natural and isotopically-pure silicon

The transient thermoreflectance method has been used to measure the thermal conductivity of natural silicon and isotopically-pure silicon-28 layers that are epitaxially grown on natural silicon substrates. The measurements were performed at room temperature for both a low level (10¹⁶) and a higher level (2×10¹⁹) of Boron doping of the epitaxial layers. The results indicate a gain of approximately 55% in the thermal conductivity of Si²⁸ as compared to that of natural Si, at both low and higher levels of doping, and a loss of approximately 19% for both types of silicon due to the higher level of doping.