Infrared spectra of 1.3-dithiole-2-thione and its selenium analogues ând frequency assignment and molecular force constants

Infrared spectra of 1,3-dithiole-2-thione (DTT) and its four selenium analogues have been studied in the region 4000 to 20 cm�1. Assignment of all the fundamental frequencies was made by noting the band shifts on progressive selenation. Normal coordinate analysis procedures have been applied for both in-plane and out-of-plane vibrations to help the assignments. The Urey�Bradley force function supplemented with valence force constants for the out-of-plane vibrations was employed for coordinate calculations. A correlation of the infrared assignments of DTT with its different selenium analogues is accomplished. Further, the infrared assignments are compared with those of trithiocarbonate ion and its selenium analogues and other structurally related heterocyclic molecules.

Vibrations of a periodic rail-sleeper system excited by an oscillating stationary transverse force

The rail-sleeper system is idealized as an infinite, periodic beam-mass system. Use is made of the periodicity principle for the semi-infinite halves on either side of the forcing point for evaluation of the wave propagation constants and the corresponding modal vectors. It is shown that the spread of acceleration away from the forcing point depends primarily upon one of the wave propagation constants. However, all the four modal vectors (two for the left-hand side and two for the right-hand side) determine the driving point impedance of the rail-sleeper system, which in combination with the driving point impedance of the wheel (which is adopted from the preceding companion paper) determines the forces generated by combined surface roughness and the resultant accelerations. The compound one-third octave acceleration levels generated by typical roughness spectra are generally of the same order as the observed levels.

Optimum design of Lanchester damper for a viscously damped single degree of freedom system by using minimum force transmissibility criterion

The problem of optimum design of a Lanchester damper for minimum force transmission from a viscously damped single degree of freedom system subjected to harmonic excitation is investigated. Explicit expressions are developed for determining the optimum absorber parameters. It is shown that for the particular case of the undamped single degree of freedom system the results reduce to the classical ones obtained by using the concept of a fixed point on the transmissibility curves.

Effect of concentrated force on a Crack in dissimilar media

Efect of concentrated force or edge dislocation with Burger's vector on a line crack in di,aimilar media has been studied in this paper. Crack surfaces may be subjected to surface loads or opuwd by rigid inclusions. Complex variable methods have been employed to study the distribution of stresses and displacements every where and in particnlar at the tips of the crack.

Use of protein A gene fusions for the analysis of structure-function relationship of the transactivator protein C of bacteriophage Mu

A sensitive dimerization assay for DNA binding proteins has been developed using gene fusion technology. For this purpose, we have engineered a gene fusion using protein A gene of Staphylococcus aureus and C gene, the late gene transactivator of bacteriophage Mu. The C gene was fused to the 3' end of the gene for protein A to generate an A- C fusion. The overexpressed fusion protein was purified in a single step using immunoglobulin affinity chromatography. Purified fusion protein exhibits DNA binding activity as demonstrated by electrophoretic mobility shift assays. When the fusion protein A-C was mixed with C and analyzed for DNA binding, in addition to C and A-C specific complexes, a single intermediate complex comprising of a heterodimer of C and A-C fusion proteins was observed. Further, the protein A moiety in the fusion protein A-C does not contribute to DNA binding as demonstrated by proteolytic cleavage and circular dichroism (CD) analysis. The assay has also been applied to analyze the DNA binding domain of C protein by generating fusions between protein A and N- and C-terminal deletion mutants of C. The results indicate a role for the region towards the carboxy terminal of the protein in DNA binding. The general applicability of this method is discussed.

On the relationship of thermodynamic parameters with the buried surface area in protein-ligand complex formation

Prediction of thermodynamic parameters of protein-protein and antigen-antibody complex formation from high resolution structural parameters has recently received much attention, since an understanding of the contributions of different fundamental processes like hydrophobic interactions, hydrogen bonding, salt bridge formation, solvent reorganization etc. to the overall thermodynamic parameters and their relations with the structural parameters would lead to rational drug design. Using the results of the dissolution of hydrocarbons and other model compounds the changes in heat capacity (DeltaCp), enthalpy (DeltaH) and entropy (DeltaS) have been empirically correlated with the polar and apolar surface areas buried during the process of protein folding/unfolding and protein-ligand complex formation. In this regard, the polar and apolar surfaces removed from the solvent in a protein-ligand complex have been calculated from the experimentally observed values of changes in heat capacity (DeltaCp) and enthalpy (DeltaH) for protein-ligand complexes for which accurate thermodynamic and high resolution structural data are available, and the results have been compared with the x-ray crystallographic observations. Analyses of the available results show poor correlation between the thermodynamic and structural parameters. Probable reasons for this discrepancy are mostly related with the reorganization of water accompanying the reaction which is indeed proven by the analyses of the energetics of the binding of the wheat germ agglutinin to oligosaccharides.

New eight node serendipity quadrilateral plate bending element for thin and moderately thick plates using Integrated Force Method

A new 8-node serendipity quadrilateral plate bending element (MQP8) based on the Mindlin-Reissner theory for the analysis of thin and moderately thick plate bending problems using Integrated Force Method is presented in this paper. The performance of this new element (MQP8) is studied for accuracy and convergence by analyzing many standard benchmark plate bending problems. This new element MQP8 performs excellent in both thin and moderately thick plate bending situations. And also this element is free from spurious/zero energy modes and free from shear locking problem.

Two-level k-means clustering algorithm for k-tau relationship establishment and linear-time classification

Partitional clustering algorithms, which partition the dataset into a pre-defined number of clusters, can be broadly classified into two types: algorithms which explicitly take the number of clusters as input and algorithms that take the expected size of a cluster as input. In this paper, we propose a variant of the k-means algorithm and prove that it is more efficient than standard k-means algorithms. An important contribution of this paper is the establishment of a relation between the number of clusters and the size of the clusters in a dataset through the analysis of our algorithm. We also demonstrate that the integration of this algorithm as a pre-processing step in classification algorithms reduces their running-time complexity.

Mycobacterial Stress Regulation: The Dps ``Twin Sister'' Defense Mechanism and Structure-Function Relationship

In this work, we have tried to emphasize the connection between mycobacterial growth and regulation of gene expression. Utilization of multiple carbon sources and diauxic growth helps bacteria to regulate gene expression at an optimum level so that the inhospitable conditions encountered during nutrient depletion can be circumvented. These aspects will be discussed with respect to mycobacterial growth in subsequent sections. Identification and characterization of genes induced under such conditions is helpful to understand the physiology of the bacterium. Although it is necessary to compare the total expression profile of proteins as they transit from vegetative growth to stationary phase, at times a lot of insights can be deciphered from the expression pattern of one or two proteins. We have compared the protein expression and sigma factor selectivity of two such proteins in M. smegmatis to understand the differential regulation of genes playing diverse function in the same species. Some newer insights on the structure and function of one of the Dps proteins are also explained.

Force-free equilibria of magnetized jets

Force-free equilibrium configurations of magnetic-pressure-dominated magnetized supersonic jets confined by slowly varying external pressure are investigated analytically. For the case where internal dissipation mechanisms are active, the lowest-energy field configuration is found to be the superposition of an axisymmetric mode and a helical mode with a wavelength equal to 5 times the jet radius, and the pressure below which the nonaxisymmetric mode becomes energetically favorable is given as 2700 times the product of the 4th power of the magnetic helicity per unit length and the -6th power of the magnetic flux. A model of the total and polarized emission of such a configuration is developed and applied to the extended well-collimated astronomically resolved jet NGC 6251. The model is shown to reproduce significant features such as transverse oscillations of the ridge line, width oscillations and emission knots, the projected magnetic-field configuration, oscillations of the degree of polarization, and the distribution of the Faraday rotation measure.

Magnetic energy dissipation in force-free jets

It is shown that a magnetic-pressure-dominated, supersonic jet which expands (or contracts) in response to variations in the confining external pressure can dissipate magnetic energy through field-line reconnection as it relaxes to a minimum-energy configuration. In order for a continuous dissipation to take place, the effective reconnection time must be a fraction ɛ ⪉ 1 of the expansion time. The amount of energy dissipation is calculated, and it is concluded that magnetic energy dissipation could, in principle, power the observed synchrotron emission in extragalactic radio jets such as NGC 6251. However, this mechanism is only viable if the reconnection time is substantially shorter than the nominal resistive tearing time in the jet.

The influence of the Coriolis force on flux tubes rising through the solar convection zone

In order to study the effect of the Coriolis force due to solar rotation on rising magnetic flux, the authors consider a flux ring, azimuthally symmetric around the rotation axis, starting from rest at the bottom of the convection zone, and then follow the trajectory of the flux ring as it rises. If it is assumed that the flux ring remains azimuthally symmetric during its ascent, then the problem can be described essentially in terms of two parameters: the value of the initial magnetic field in the ring when it starts, and the effective drag experienced by it. For field strengths at the bottom of the convection zone of order 10,000 G or less, it is found that the Coriolis force plays a dominant role and flux rings starting from low latitudes at the bottom are deflected and emerge at latitudes significantly poleward of sunspot zones.

Nano-meter scale plasticity in KBr studied by nanoindenter and force microscopy

The early stages of plasticity in KBr single crystals have been studied by means of nano-meter-scale indentation in complementary experiments using both a nanoindenter and an atomic force microscope. Nanoindentafion experiments precisely correlate indentation depth and forces, while force microscopy provides high-resolution force measurements and images of the surface revealing dislocation activity. The two methods provide very similar results for the onset of plasticity in KBr. Upon loading we observe yield of the surface in atomic layer units which we attribute to the nucleation of single dislocations. Unloading is accompanied by plastic recovery as evident from a non-linear force distance unloading curve and delayed discrete plasticity events.

Assessment of the residual fatigue strength in RC beams

In conventional analysis and design procedures of reinforced concrete structures, the ability of concrete to resist tension is neglected. Under cyclic loading, the tension-softening behavior of concrete influences its residual strength and subsequent crack propagation. The stability and the residual strength of a cracked reinforced concrete member under fatigue loading, depends on a number of factors such as, reinforcement ratio, specimen size, grade of concrete, and the fracture properties, and also on the tension-softening behavior of concrete. In the present work, a method is proposed to assess the residual strength of a reinforced concrete member subjected to cyclic loading. The crack extension resistance based approach is used for determining the condition for unstable crack propagation. Three different idealization of tension softening models are considered to study the effect of post-peak response of concrete. The effect of reinforcement is modeled as a closing force counteracting the effect of crack opening produced by the external moment. The effect of reinforcement percentage and specimen size on the failure of reinforced beams is studied. Finally, the residual strength of the beams are computed by including the softening behavior of concrete.

Combined Atomic Force Microscopy and Modeling Study of The Evolution of Octadecylamine Films on a Mica Surface

The time evolution of the film thickness and domain formation of octadecylamine molecules adsorbed oil a mica surface is investigated Using atomic force microscopy. The adsorbed Film thickness is determined by measuring the height profile across the mica-amine interface of a mica surface partially immersed in a 15 mM solution of octadecylamine in chloroform. Using this novel procedure, adsorption of amine on mica is found to occur in three distinct stages, with morphologically distinct domain Formation and growth occurring during each stage. In the first stage, where adsorption is primarily in the thin-film regime, all average Film thickness of 0.2 (+/- 0.3) nm is formed for exposure times below 30 s and 0.8 (+/- 0.2) nm for 60 s of immersion time. During this stage, large sample spanning domains are observed. The second stage, which occurs between 60-300 s, is associated with it regime of rapid film growth, and the film thickness increases from about 0.8 to 25 nm during this stage. Once the thick-film regime is established, further exposure to the amine solution results in all increase in the domain area, and it regime of lateral domain growth is observed. In this stage, the domain area coverage grows from 38 to 75%, and the FTIR spectra reveal an increased level of crystallinity in the film. Using it diffusion-controlled model and it two-step Langmuir isotherm, the time evolution of the film growth is quantitatively captured. The model predicts the time at which the thin to thick film transition occurs as well its the time required for complete film growth at longer times. The Ward-Tordai equation is also solved to determine the model parameters in the monolayer (thin-film) regime, which occurs during the initial stages of film growth.