Stochastic molecular descriptors for polymers. 4. Study of complex mixtures with topological indices of mass spectra spiral and star networks: The blood proteome case

The Quantitative Structure-Property Relationships (QSPRs) based on Graph or Network Theory are important for predicting the properties of polymeric systems. In the three previous papers of this series (Polymer 45 (2004) 3845-3853; Polymer 46 (2005) 2791-2798; and Polymer 46 (2005) 6461-6473) we focused on the uses of molecular graph parameters called topological indices (TIs) to link the structure of polymers with their biological properties. However, there has been little effort to extend these TIs to the study of complex mixtures of artificial polymers or biopolymers such as nucleic acids and proteins. In this sense, Blood Proteome (BP) is one of the most important and complex mixtures containing protein polymers. For instance, outcomes obtained by Mass Spectrometry (MS) analysis of BP are very useful for the early detection of diseases and drug-induced toxicities. Here, we use two Spiral and Star Network representations of the MS outcomes and defined a new type of TIs. The new TIs introduced here are the spectral moments (π_k) of the stochastic matrix associated to the Spiral graph and describe non-linear relationships between the different regions of the MS characteristic of BP. We used the MARCH-INSIDE approach to calculate the π_k(SN) of different BP samples and S2SNet to determine several Star graph TIs. In the second step, we develop the corresponding Quantitative Proteome-Property Relationship (QPPR) models using the Linear Discriminant Analysis (LDA). QPPRs are the analogues of QSPRs in the case of complex biopolymer mixtures. Specifically, the new QPPRs derived here may be used to detect drug-induced cardiac toxicities from BP samples. Different Machine Learning classification algorithms were used to fit the QPPRs based on π_k(SN), showing J48 decision tree classifier to have the best performance. These results suggest that the present approach captures important features of the complex biopolymers mixtures and opens new opportunities to the application of the idea supporting classic QSPRs in polymer sciences.     

Response surface methodology applied for Orange II photocatalytic degradation in TiO2 aqueous suspensions

BACKGROUND: Heterogeneous photocatalysis is influenced by a number of parameters involving synergistic effects; hence, an experimental strategy design that considers interactions between the main variables is needed. The response surface methodology was applied for the investigation of photodegradation of 20 mg L^?1 Orange II in aqueous solutions and for optimization of color removal efficiency. Preliminary studies were performed to identify the parameters to be selected for optimization. RESULTS: The input variables considered for experimental design were: solution initial pH, oxidizing agent (H₂O₂) initial concentration and UV‐A irradiation time. The multivariate experimental design allowed the development of a quadratic response surface model to be used for the prediction of color removal efficiency over the full range of the experimental region. Under the optimum conditions established in the region of experimentation (pH = 6.9, [H₂O₂]₀ = 183 mg L^?1 and t = 32 min), a 100% color removal efficiency was obtained in experiments. CONCLUSIONS: It was found that the variables considered have important effects on color removal efficiency. The results demonstrate that the use of experimental design strategy is indispensable for successful investigation and adequate modeling of the process because the interdependence of the reaction parameters cannot be neglected. Copyright © 2008 Society of Chemical Industry     

Predictive control architecture for real-time image moments based servoing of robot manipulators

This paper presents a real-time architecture for visual servoing of robot manipulators using nonlinear based predictive control. In order to increase the robustness of the control algorithm, image moments were chosen to be the visual features which describe the objects from the image. A visual predictive architecture is designed to solve tasks addressed to robot manipulators with an eye-in-hand configuration. An implementation of the proposed architecture is done so that the capabilities of a 6 d.o.f robot manipulator are extended. The results of different experiments conducted with two types of image moments based controllers (proportional and predictive with reference trajectory) are presented and discussed.     

Silicon‐containing heterocyclic polymers and thin films made therefrom

Thin films, in the range of tens of micrometers thickness, have been prepared by casting onto glass plates the chloroform or N‐methylpyrrolidone solutions of polyimides or poly(imide‐amide)s containing silicon and phenylquinoxaline units in the main chain. The polymers have been synthesized by solution polycondensation reaction of aromatic diamines having preformed phenylquinoxaline rings with bis(3,4‐dicarboxyphenyl)dimethylsilane dianhydride or with a diacid chloride resulting from the reaction of this dianhydride with p‐aminobenzoic acid. The polymers were easily soluble in polar aprotic solvents and showed high thermal stability. The free‐standing films exhibited good mechanical properties with tensile strengths in the range of 48–86 MPa, tensile modulus in the range of 1.25–2.22 GPa and elongation at break in the range of 3–37%. Electrical insulating properties of some polymer films were evaluated on the basis of dielectric constant and dielectric loss and their variation with frequency and temperature. The values of the dielectric constant at 10 kHz were in the range of 2.94–3.08 for polyimides and 3.89–4.49 for poly(imide‐amide)s. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 102: 3062–3068, 2006     

High-Temperature Stiffness and Damping Measurements to Monitor the Glassy Intergranular Phase in Liquid-Phase-Sintered Silicon Carbides

Detailed stiffness and internal friction ( Q ⁻¹) versus temperature curves were obtained for liquid-phase-sintered silicon carbides using advanced resonant beam analysis up to 1400°C. As-sintered materials display a stable Q ⁻¹-peak near 1100°C, superimposed on an increasing background. The change of stiffness associated with the damping peak is quantitatively related to the amount of matter in pockets of the amorphous intergranular phase in which the refractory SiC matrix grains are embedded. The successful removal of the amorphous pockets by annealing at 1900°C is deduced from the disappearance of the damping peak and confirmed with transmission electron microscopy.     

New fluorinated poly(1,3,4-oxadiazole-ether-imide)s

New fluorinated poly(1,3,4-oxadiazole-ether-imide)s have been prepared by solution polycondensation reaction of different aromatic diamines having preformed 1,3,4-oxadiazole ring, such as 2,5-bis(p-aminophenyl)-1,3,4-oxadiazole, 2,5-bis[p-(4-aminophenoxy)phenyl]-1,3,4-oxadiazole, 2,5-bis[p-(3-aminophenoxy)phenyl]-1,3,4-oxadiazole, 2-(4-dimethylaminophenyl)-5-(3,5-diaminophenyl)-1,3,4-oxadiazole and 2-(4-fluorophenyl)-5-(3,5-diaminophenyl)-1,3,4-oxadiazole, with an aromatic dianhydride incorporating ether linkages and hexafluoroisopropylidene group, namely 1,1,1,3,3,3-hexafluoro-2,2-bis-[(3,4-dicarboxyphenoxy)phenyl]-propane dianhydride. The polymers were easily soluble in polar organic solvents, such as N-methylpyrrolidinone, N,N-dimethylformamide, and pyridine, as well as in certain low boiling-point organic solvents, such as tetrahydrofuran and chloroform. Very thin coatings deposited onto silicon wafers exhibited smooth, pinhole-free surface in atomic force microscopy. The polymers showed high thermal stability with decomposition temperature being above 410 °C. They exhibited a glass transition in the temperature range of 183-217 °C, with reasonable interval between glass transition and decomposition temperature. Solutions of some polymers in N,N-dimethylformamide exhibited blue fluorescence, having maximum emission wavelength in the range of 411-424 nm.     

Probabilistic motion-compensated prediction in distributed video coding

Distributed video coding (DVC) constitutes an original coding framework to meet the stringent requirements imposed by uplink-oriented and low-power mobile video applications. The quality of the side information available to the decoder and the efficiency of the employed channel codes are primary factors determining the success of a DVC system. This contribution introduces two novel techniques for probabilistic motion compensation in order to generate side information at the Wyner-Ziv decoder. The employed DVC scheme uses a base layer, serving as a hash to facilitate overlapped block motion estimation at the decoder side. On top of the base layer, a supplementary Wyner-Ziv layer is coded in the DCT domain. Both proposed probabilistic motion compensation techniques are driven by the actual correlation channel statistics and reuse information contained in the hash. Experimental results report significant rate savings caused by the novel side information generation methods compared to previous techniques. Moreover, the compression performance of the presented DVC architecture, featuring the proposed side-information generation techniques, delivers state-of-the-art compression performance.     

Experimental characterization of electrostatically actuated in-plane bending of microcantilevers

Experimental validation of numerical models developed by the authors to predict the static behaviour of microelectrostatic actuators is described. Cantilever microbeams, currently used in connection with RF-MEMS and micro-scale material testing were analysed. A set of microcantilevers, bending in the plane of the wafer, i.e. in the same plane as the profiling system’s target, was tested. This differs from the popular case of out-of-plane microbeams, usually studied in the literature. Geometry nonlinearity caused by large deflection of the microbeam was investigated and nonlinear coupled formulation of electromechanical equilibrium was performed. Coupled-field analysis was implemented using the Finite Element Method (FEM), to predict displacements and pull-in voltage measured by Fogale Zoomsurf 3D, subsequently plotting the displacement-versus-voltage curve to complete model validation. FEM nonlinear analysis, based on iterative approach with mesh morphing, and FEM non-incremental approach, including a special element proposed by the authors, are compared to the linear solution and to experimental results. Geometry nonlinearity appears relevant in microbeam modelling and requires a nonlinear solution of the coupled problem. Investigative work, which compared the results of 2D and 3D models to experimental data, revealed that some three dimensional effects are significant in model validation, but the 2D approach may be effective in predicting static behaviour provided that at least a microbeam thickness equivalent is adopted.     

Treatment of Point Defects in Nanowire MOSFETs Using the Nonequilibrium Green’s Function Formalism

A program to numerically simulate point defects in nanowire metal-oxide-semiconductor field-effect transistors is described. The simulation scheme is based on the non-equilibrium Green’s function method self-consistently being obtained via the resolution of 3D Poisson’s equation. A tight-binding hamiltonian is used and the point defect is characterized by a macroscopic coulombic tail treated in the mode-space approach, plus a short range on-site perturbation potential energy, treated exactly. The effect on internal quantities and on the transistor characteristics is studied as a function of the strength and the location of the defect potential. Subthreshold current is found to vary in a factor 10 according to the position of the impurity.Also With Institut Universitaire De France (IUF).