Solute solute and solvent solute interactions in solid solutions of Cu+Sn, Au+Sn and Cu+Au+Sn alloys

The chemical potentials of tin in its α-solid solutions with Cu, Au and Cu + Au alloys have been measured using a gas-solid equilibration technique. The variation of the excess chemical potential of tin with its composition in the alloy is related to the solute-solute repulsive interaction, while the excess chemical potential at infinite dilution of the solute is a measure of solvent-solute interaction energies. It is shown that solute-solute interaction is primarily determined by the concentration of (s + p) electrons in the conduction band, although the interaction energies are smaller than those predicted by either the rigid band model or calculation based on Friedel oscillations in the potential function. Finally, the variation of the solvent-solute interaction with solvent composition in the ternary system can be accounted for in terms of a quasi-chemical treatment which takes into account the clustering of the solvent atoms around the solute.

Theoretical gain optimization studies in 10.6 μm CO2–N2 gasdynamic lasers. IV. Further results of parametric study

Based on a method proposed by Reddy and Shanmugasundaram, similar solutions have been obtained for the steady inviscid quasi‐one‐dimensional nonreacting flow in the supersonic nozzle of CO2–N2–H2O and CO2–N2–He gasdynamic laser systems. Instead of using the correlations of a nonsimilar function NS for pure N2 gas, as is done in previous publications, the NS correlations are computed here for the actual gas mixtures used in the gasdynamic lasers. Optimum small‐signal optical gain and the corresponding optimum values of the operating parameters like reservoir pressure and temperature and nozzle area ratio are computed using these correlations. The present results are compared with the previous results and the main differences are discussed.

Chimeras of Escherichia coli and Mycobacterium tuberculosis Single-Stranded DNA Binding Proteins: Characterization and Function in Escherichia coli

Single stranded DNA binding proteins (SSBs) are vital for the survival of organisms. Studies on SSBs from the prototype, Escherichia coli (EcoSSB) and, an important human pathogen, Mycobacterium tuberculosis (MtuSSB) had shown that despite significant variations in their quaternary structures, the DNA binding and oligomerization properties of the two are similar. Here, we used the X-ray crystal structure data of the two SSBs to design a series of chimeric proteins (m beta 1, m beta 1'beta 2, m beta 1-beta 5, m beta 1-beta 6 and m beta 4-beta 5) by transplanting beta 1, beta 1'beta 2, beta 1-beta 5, beta 1-beta 6 and beta 4-beta 5 regions, respectively of the N-terminal (DNA binding) domain of MtuSSB for the corresponding sequences in EcoSSB. In addition, m beta 1'beta 2(ESWR) SSB was generated by mutating the MtuSSB specific `PRIY' sequence in the beta 2 strand of m beta 1'beta 2 SSB to EcoSSB specific `ESWR' sequence. Biochemical characterization revealed that except for m beta 1 SSB, all chimeras and a control construct lacking the C-terminal domain (Delta C SSB) bound DNA in modes corresponding to limited and unlimited modes of binding. However, the DNA on MtuSSB may follow a different path than the EcoSSB. Structural probing by protease digestion revealed that unlike other SSBs used, m beta 1 SSB was also hypersensitive to chymotrypsin treatment. Further, to check for their biological activities, we developed a sensitive assay, and observed that m beta 1-beta 6, MtuSSB, m beta 1'beta 2 and m beta 1-beta 5 SSBs complemented E. coli Delta ssb in a dose dependent manner. Complementation by the m beta 1-beta 5 SSB was poor. In contrast, m beta 1'beta 2(ESWR) SSB complemented E. coli as well as EcoSSB. The inefficiently functioning SSBs resulted in an elongated cell/filamentation phenotype of E. coli. Taken together, our observations suggest that specific interactions within the DNA binding domain of the homotetrameric SSBs are crucial for their biological function.

Distributed Function Computation over Fields and Rings via Linear Compression of Sources

The setting considered in this paper is one of distributed function computation. More specifically, there is a collection of N sources possessing correlated information and a destination that would like to acquire a specific linear combination of the N sources. We address both the case when the common alphabet of the sources is a finite field and the case when it is a finite, commutative principal ideal ring with identity. The goal is to minimize the total amount of information needed to be transmitted by the N sources while enabling reliable recovery at the destination of the linear combination sought. One means of achieving this goal is for each of the sources to compress all the information it possesses and transmit this to the receiver. The Slepian-Wolf theorem of information theory governs the minimum rate at which each source must transmit while enabling all data to be reliably recovered at the receiver. However, recovering all the data at the destination is often wasteful of resources since the destination is only interested in computing a specific linear combination. An alternative explored here is one in which each source is compressed using a common linear mapping and then transmitted to the destination which then proceeds to use linearity to directly recover the needed linear combination. The article is part review and presents in part, new results. The portion of the paper that deals with finite fields is previously known material, while that dealing with rings is mostly new.Attempting to find the best linear map that will enable function computation forces us to consider the linear compression of source. While in the finite field case, it is known that a source can be linearly compressed down to its entropy, it turns out that the same does not hold in the case of rings. An explanation for this curious interplay between algebra and information theory is also provided in this paper.

Abstract Characteristic Function

The characteristic function for a contraction is a classical complete unitary invariant devised by Sz.-Nagy and Foias. Just as a contraction is related to the Szego kernel k(S)(z, w) = ( 1 - z(w)over bar)- 1 for |z|, |w| < 1, by means of (1/k(S))( T, T *) = 0, we consider an arbitrary open connected domain Omega in C(n), a kernel k on Omega so that 1/k is a polynomial and a tuple T = (T(1), T(2), ... , T(n)) of commuting bounded operators on a complex separable Hilbert spaceHsuch that (1/k)( T, T *) >= 0. Under some standard assumptions on k, it turns out that whether a characteristic function can be associated with T or not depends not only on T, but also on the kernel k. We give a necessary and sufficient condition. When this condition is satisfied, a functional model can be constructed. Moreover, the characteristic function then is a complete unitary invariant for a suitable class of tuples T.

Structure-function relationship in serine hydroxymethyltransferase

Serine hydroxymethyltransferase (SHMT), a pyridoxal-5V-phosphate (PLP)-dependent enzyme catalyzes thetetrahydrofolate (H4-folate)- dependent retro-aldol cleavage of serine to form 5,10-methylene H4-folate and glycine. The structure–function relationship of SHMT wasstudied in our laboratory initially by mutation of residues that are conserved in all SHMTs and later by structure-based mutagenesis of residues located in the active site. The analysis of mutants showed that K71, Y72, R80, D89, W110, S202, C203, H304, H306 and H356 residues are involved in maintenance of the oligomeric structure. The mutation of D227, a residue involved in charge relay system, led to the formation of inactive dimers, indicating that this residue has a role in maintaining the tetrameric structure and catalysis. E74, a residue appropriately positioned in the structure of the enzyme to carry out proton abstraction, was shown by characterization of E74Q and E74K mutants to be involved in conversion of the enzyme from an ‘open’ to ‘closed’ conformation rather than proton abstraction from the hydroxylgroup of serine. K256, the residue involved in the formation of Schiffs base with PLP, also plays a crucial role in the maintenance of the tetrameric structure. Mutation of R262 residue established the importance of distal interactions in facilitating catalysis and Y82 is not involved in the formaldehyde transfer via the postulated hemiacetal intermediate but plays a role in stabilizing the quinonoid intermediate.The mutational analysis of scSHMT along with the structure of recombinant Bacillus stearothermophilus SHMT and its substrate(s)complexes was used to provide evidence for a direct transfer mechanism rather than retro-aldol cleavage for the reaction catalyzed by SHMT.

Ultrasonic evaluation of delamination in quasi-isotropic CFRP laminates subjected to low-velocity impact

Ultrasonic C-Scan is used very often to detect flaws and defects in the composite components resulted during fabrication and damages resulting from service conditions. Evaluation and characterization of defects and damages of composites require experience and good understanding of the material as they are distinctly different in composition and behavior as compared to conventional metallic materials. The failure mechanisms in composite materials are quite complex. They involve the interaction of matrix cracking, fiber matrix interface debonding, fiber pullout, fiber fracture and delamination. Generally all of them occur making the stress and failure analysis very complex. Under low-velocity impact loading delamination is observed to be a major failure mode. In composite materials the ultrasonic waves suffer high acoustic attenuation and scattering effect, thus making data interpretation difficult. However these difficulties can be overcome to a greater extent by proper selection of probe, probe parameter settings like pulse width, pulse amplitude, pulse repetition rate, delay, blanking, gain etc., and data processing which includes image processing done on the image obtained by the C-Scan.

Effect of scaling on the non-quasi-static behaviour of the MOSFET for RF ICs

The effect of scaling (1 μm to 0.09 μm) on the non-quasi-static (NQS) behaviour of the MOSFET has been studied using process and device simulation. It is shown that under fixed gate (Vgs) and drain (Vds) bias voltages, the NQS transition frequency (fNQS) scales as 1/Leff rather than 1/L2eff due to the velocity saturation effect. However, under the practical scaling guidelines, considering the scaling of supply voltage as well, fNQS shows a turn around effect at the sub 100 nm regime. The relation between unity gain frequency (ft) and fNQS is also evaluated and it is shown that ft and fNQS have similar trends with scaling.

A neural network based automatic generation control design through reinforcement learning

This paper presents the design and implementation of a learning controller for the Automatic Generation Control (AGC) in power systems based on a reinforcement learning (RL) framework. In contrast to the recent RL scheme for AGC proposed by us, the present method permits handling of power system variables such as Area Control Error (ACE) and deviations from scheduled frequency and tie-line flows as continuous variables. (In the earlier scheme, these variables have to be quantized into finitely many levels). The optimal control law is arrived at in the RL framework by making use of Q-learning strategy. Since the state variables are continuous, we propose the use of Radial Basis Function (RBF) neural networks to compute the Q-values for a given input state. Since, in this application we cannot provide training data appropriate for the standard supervised learning framework, a reinforcement learning algorithm is employed to train the RBF network. We also employ a novel exploration strategy, based on a Learning Automata algorithm,for generating training samples during Q-learning. The proposed scheme, in addition to being simple to implement, inherits all the attractive features of an RL scheme such as model independent design, flexibility in control objective specification, robustness etc. Two implementations of the proposed approach are presented. Through simulation studies the attractiveness of this approach is demonstrated.

From anomalies in neat liquid to structure, dynamics and function in the biological world

Water brings its remarkable thermodynamic and dynamic anomalies in the pure liquid state to biological world where water molecules face a multitude of additional interactions that frustrate its hydrogen bond network. Yet the water molecules participate and control enormous number of biological processes in manners which are yet to be understood at a molecular level. We discuss thermodynamics, structure, dynamics and properties of water around proteins and DNA, along with those in reverse micelles. We discuss the roles of water in enzyme kinetics, in drug-DNA intercalation and in kinetic-proof reading ( the theory of lack of errors in biosynthesis). We also discuss how water may play an important role in the natural selection of biomolecules. (C) 2011 Elsevier B. V. All rights reserved.

Learning polyhedral classifiers using logistic function

In this paper we propose a new algorithm for learning polyhedral classifiers. In contrast to existing methods for learning polyhedral classifier which solve a constrained optimization problem, our method solves an unconstrained optimization problem. Our method is based on a logistic function based model for the posterior probability function. We propose an alternating optimization algorithm, namely, SPLA1 (Single Polyhedral Learning Algorithm1) which maximizes the loglikelihood of the training data to learn the parameters. We also extend our method to make it independent of any user specified parameter (e.g., number of hyperplanes required to form a polyhedral set) in SPLA2. We show the effectiveness of our approach with experiments on various synthetic and real world datasets and compare our approach with a standard decision tree method (OC1) and a constrained optimization based method for learning polyhedral sets.

Contractive Hilbert modules and their dilations

In this note, we show that a quasi-free Hilbert module R defined over the polydisk algebra with kernel function k(z,w) admits a unique minimal dilation (actually an isometric co-extension) to the Hardy module over the polydisk if and only if S (-1)(z, w)k(z, w) is a positive kernel function, where S(z,w) is the Szego kernel for the polydisk. Moreover, we establish the equivalence of such a factorization of the kernel function and a positivity condition, defined using the hereditary functional calculus, which was introduced earlier by Athavale [8] and Ambrozie, Englis and Muller [2]. An explicit realization of the dilation space is given along with the isometric embedding of the module R in it. The proof works for a wider class of Hilbert modules in which the Hardy module is replaced by more general quasi-free Hilbert modules such as the classical spaces on the polydisk or the unit ball in a'', (m) . Some consequences of this more general result are then explored in the case of several natural function algebras.

Construction of equivalent circuit of a transformer winding from driving-point impedance function - analytical approach

Analytical solution is presented to convert a given driving-point impedance function (in s-domain) into a physically realisable ladder network with inductive coupling between any two sections and losses considered. The number of sections in the ladder network can vary, but its topology is assumed fixed. A study of the coefficients of the numerator and denominator polynomials of the driving-point impedance function of the ladder network, for increasing number of sections, led to the identification of certain coefficients, which exhibit very special properties. Generalised expressions for these specific coefficients have also been derived. Exploiting their properties, it is demonstrated that the synthesis method essentially turns out to be an exercise of solving a set of linear, simultaneous, algebraic equations, whose solution directly yields the ladder network elements. The proposed solution is novel, simple and guarantees a unique network. Presently, the formulation can synthesise a unique ladder network up to six sections.

Free Energy Barriers for Escape of Water Molecules from Protein Hydration Layer

Free energy barriers separating interfacial water molecules from the hydration layer at the surface of a protein to the bulk are obtained by using the umbrella sampling method of free energy calculation. We consider hydration layer of chicken villin head piece (HP-36) which has been studied extensively by molecular dynamics simulations. The free energy calculations reveal a strong sensitivity to the secondary structure. In particular, we find a region near the junction of first and second helix that contains a cluster of water molecules which are slow in motion, characterized by long residence times (of the order of 100 ps or more) and separated by a large free energy barrier from the bulk water. However, these ``slow'' water molecules constitute only about 5-10% of the total number of hydration layer water molecules. Nevertheless, they play an important role in stabilizing the protein conformation. Water molecules near the third helix (which is the important helix for biological function) are enthalpically least stable and exhibit the fastest dynamics. Interestingly, barrier height distributions of interfacial water are quite broad for water surrounding all the three helices (and the three coils), with the smallest barriers found for those near the helix-3. For the quasi-bound water molecules near the first and second helices, we use well-known Kramers' theory to estimate the residence time from the free energy surface, by estimating the friction along the reaction coordinate from the diffusion coefficient by using Einstein relation. The agreement found is satisfactory. We discuss the possible biological function of these slow, quasi-bound (but transient) water molecules on the surface.

Insights into differential modulation of receptor function by hinge region using novel agonistic lutropin receptor and inverse agonistic thyrotropin receptor antibodies

We report two antibodies, scFv 13B1 and MAb PD1.37, against the hinge regions of LHR and TSHR, respectively, which have similar epitopes but different effects on receptor function. While neither of them affected hormone binding, with marginal effects on hormone response, scFv 13B1 stimulated LHR in a dose-dependent manner, whereas MAb PD1.37 acted as an inverse agonist of TSHR. Moreover, PD1.37 could decrease the basal activity of hinge region CAMs, but had varied effects on those present in ECLs, whereas 13B1 was refractory to any CAMs in LHR. Using truncation mutants and peptide phage display, we compared the differential roles of the hinge region cysteine box-2/3 as well as the exoloops in the activation of these two homologus receptors. (C) 2012 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.