Modeling Equitable Distribution of Water: Dynamic Inversion-Based Controller Approach

It is a well-known fact that most of the developing countries have intermittent water supply and the quantity of water supplied from the source is also not distributed equitably among the consumers. Aged pipelines, pump failures, and improper management of water resources are some of the main reasons for it. This study presents the application of a nonlinear control technique to overcome this problem in different zones in the city of Bangalore. The water is pumped to the city from a large distance of approximately 100km over a very high elevation of approximately 400m. The city has large undulating terrain among different zones, which leads to unequal distribution of water. The Bangalore, inflow water-distribution system (WDS) has been modeled. A dynamic inversion (DI) nonlinear controller with proportional integral derivative (PID) features (DI-PID) is used for valve throttling to achieve the target flows to different zones of the city. This novel approach of equitable water distribution using DI-PID controllers that can be used as a decision support system is discussed in this paper.

Density Functional Theoretical Modeling, Electrostatic Surface Potential and Surface Enhanced Raman Spectroscopic Studies on Biosynthesized Silver Nanoparticles: Observation of 400 pM Sensitivity to Explosives

Interaction of adsorbate on charged surfaces, orientation of the analyte on the surface, and surface enhancement aspects have been studied. These aspects have been explored in details to explain the surface-enhanced Raman spectroscopic (SERS) spectra of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (HNIW or CL-20), a well-known explosive, and 2,4,6-trinitrotoluene (TNT) using one-pot synthesis of silver nanoparticles via biosynthetic route using natural precursor extracts of clove and pepper. The biosynthesized silver nanoparticles (bio Ag Nps) have been characterized using UV-vis spectroscopy, scanning electron microscopy and atomic force microscopy. SERS studies conducted using bio Ag Nps on different water insoluble analytes, such as CL-20 and TNT, lead to SERS signals at concentration levels of 400 pM. The experimental findings have been corroborated with density functional computational results, electrostatic surface potential calculations, Fukui functions and potential measurements.

Ligational behaviour of (E)-2-amino-N ` -1-(2-hydroxyphenyl) ethylidene]benzohydrazide towards later 3d metal ions: X-ray crystal structure of nickel(IV) complex

Ligational behaviour of (E)-2-amino-N'-1-(2-hydroxyphenyl)ethylidene]benzohydrazide (Aheb) towards later 3d metal ionscopper(II), cobalt(II), manganese(II), zinc(II), cadmium(II) and nickel(IV)] has been studied. Their structures have been elucidated on the basis of spectral (IR, H-1 NMR, UV-Vis, EPR and FAB-mass), elemental analyses, conductance measurements, magnetic moments, and thermal studies. During complexation Ni(II) ion has got oxidized to Ni(IV). The changes in the bond parameters of the ligand on complexation has been discussed by comparing the crystal structure of the ligand with that of its Ni(IV) complex. The X-ray single crystal analysis of Ni(aheb)(2)]Cl-2 center dot 4H(2)O has confirmed an octahedral geometry around the metal ion. EPR spectra of the Cu(II) complex in polycrystalline state at room (300 K) and liquid nitrogen temperature (77 K) were recorded and their salient features are reported. (C) 2014 Elsevier B.V. All rights reserved.

Mechanical and thermal modeling of In-Cu composites for thermal interface materials applications

In-Cu composite solders have been proposed as an effective thermal interface material. Here, finite element analysis and theoretical treatment of their mechanical and thermal behavior is presented. It was determined that the stresses and the strains were concentrated in the narrow and wider In channels, respectively. Furthermore, it is suggested that an In-Cu composite with disk-shaped Cu inclusions may not only further improve the thermal conductivity but may also reduce the stiffness of In-Cu composites in shear.

Modeling of Bubble-Size Distribution in Water and Freon Co-Blown Free Rise Polyurethane Foams

A model has been developed to simulate the foam characteristics obtained, when chemical (water) and physical (Freon) blowing agents are used together for the formation of polyurethane foams. The model considers the rate of reaction, the consequent rise in temperature of the reaction mixture, nucleation of bubbles, and mass transfer of CO2 and Freon to them till the time of gelation. The model is able to explain the experimental results available in literature. It further predicts that the nucleation period gets reduced with increase in water (at constant Freon content), whereas with increase in Freon (at constant water) concentration nucleation period decreases marginally leading to narrower bubble-size distribution. By the use of uniform sized nuclei added initially, the model predicts that the bubble-size distribution can be made independent of the rate of homogeneous nucleation and can, thus, offer an extra parameter for its control. (C) 2014 Wiley Periodicals, Inc.

Accurate prediction of interfacial residues in two-domain proteins using evolutionary information: Implications for three-dimensional modeling

With the preponderance of multidomain proteins in eukaryotic genomes, it is essential to recognize the constituent domains and their functions. Often function involves communications across the domain interfaces, and the knowledge of the interacting sites is essential to our understanding of the structure-function relationship. Using evolutionary information extracted from homologous domains in at least two diverse domain architectures (single and multidomain), we predict the interface residues corresponding to domains from the two-domain proteins. We also use information from the three-dimensional structures of individual domains of two-domain proteins to train naive Bayes classifier model to predict the interfacial residues. Our predictions are highly accurate (approximate to 85%) and specific (approximate to 95%) to the domain-domain interfaces. This method is specific to multidomain proteins which contain domains in at least more than one protein architectural context. Using predicted residues to constrain domain-domain interaction, rigid-body docking was able to provide us with accurate full-length protein structures with correct orientation of domains. We believe that these results can be of considerable interest toward rational protein and interaction design, apart from providing us with valuable information on the nature of interactions. Proteins 2014; 82:1219-1234. (c) 2013 Wiley Periodicals, Inc.