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.

A Triggering Mechanism for Enhanced Star-Formation in Colliding Galaxies

We propose a physical mechanism to explain the origin of the intense burst of massive-star formation seen in colliding/merging, gas-rich, field spiral galaxies. We explicitly take account of the different parameters for the two main mass components, H-2 and H I, of the interstellar medium within a galaxy and follow their consequent different evolution during a collision between two galaxies. We also note that, in a typical spiral galaxy-like our galaxy, the Giant Molecular Clouds (GMCs) are in a near-virial equilibrium and form the current sites of massive-star formation, but have a low star formation rate. We show that this star formation rate is increased following a collision between galaxies. During a typical collision between two field spiral galaxies, the H I clouds from the two galaxies undergo collisions at a relative velocity of approximately 300 km s-1. However, the GMCs, with their smaller volume filling factor, do not collide. The collisions among the H I clouds from the two galaxies lead to the formation of a hot, ionized, high-pressure remnant gas. The over-pressure due to this hot gas causes a radiative shock compression of the outer layers of a preexisting GMC in the overlapping wedge region. This makes these layers gravitationally unstable, thus triggering a burst of massive-star formation in the initially barely stable GMCs.The resulting value of the typical IR luminosity from the young, massive stars from a pair of colliding galaxies is estimated to be approximately 2 x 10(11) L., in agreement with the observed values. In our model, the massive-star formation occurs in situ in the overlapping regions of a pair of colliding galaxies. We can thus explain the origin of enhanced star formation over an extended, central area approximately several kiloparsecs in size, as seen in typical colliding galaxies, and also the origin of starbursts in extranuclear regions of disk overlap as seen in Arp 299 (NGC 3690/IC 694) and in Arp 244 (NGC 4038/39). Whether the IR emission from the central region or that from the surrounding extranuclear galactic disk dominates depends on the geometry and the epoch of the collision and on the initial radial gas distribution in the two galaxies. In general, the central starburst would be stronger than that in the disks, due to the higher preexisting gas densities in the central region. The burst of star formation is expected to last over a galactic gas disk crossing time approximately 4 x 10(7) yr. We can also explain the simultaneous existence of nearly normal CO galaxy luminosities and shocked H-2 gas, as seen in colliding field galaxies.This is a minimal model, in that the only necessary condition for it to work is that there should be a sufficient overlap between the spatial gas distributions of the colliding galaxy pair.

Seyfert Galaxies: Nuclear Radio Structure And Unification

A radio study of a carefully selected sample of 20 Seyfert galaxies that are matched in orientation-independent parameters, which are measures of intrinsic active galactic nucleus power and host galaxy properties, is presented to test the predictions of the unified scheme hypothesis. Our sample sources have core flux densities greater than 8 mJy at 5 GHz on arcsec scales due to the feasibility requirements. These simultaneous parsec-scale and kiloparsec-scale radio observations reveal (1) that Seyfert 1 and Seyfert 2 galaxies have an equal tendency to show compact radio structures on milliarcsecond scales, (2) the distributions of parsec-scale and kiloparsec-scale radio luminosities are similar for both Seyfert 1 and Seyfert 2 galaxies, (3) there is no evidence for relativistic beaming in Seyfert galaxies, (4) similar distributions of source spectral indices in spite of the fact that Seyferts show nuclear radio flux density variations, and (5) the distributions of the projected linear size for Seyfert 1 and Seyfert 2 galaxies are not significantly different as would be expected in the unified scheme. The latter could be mainly due to a relatively large spread in the intrinsic sizes. We also find that a starburst alone cannot power these radio sources. Finally, an analysis of the kiloparsec-scale radio properties of the CfA Seyfert galaxy sample shows results consistent with the predictions of the unified scheme.

Theoretical determination of HI vertical scale heights in the dwarf galaxies DDO 154, Ho II, IC 2574 and NGC 2366

In this paper, we model dwarf galaxies as a two-component system of gravitationally coupled stars and atomic hydrogen gas in the external force field of a pseudo-isothermal dark matter halo, and numerically obtain the radial distribution of HI vertical scale heights. This is done for a group of four dwarf galaxies (DDO 154, Ho II, IC 2574 and NGC 2366) for which most necessary input parameters are available from observations. The formulation of the equations takes into account the rising rotation curves generally observed in dwarf galaxies. The inclusion of self-gravity of the gas into the model at par with that of the stars results in scale heights that are smaller than what was obtained by previous authors. This is important as the gas scale height is often used for deriving other physical quantities. The inclusion of gas self-gravity is particularly relevant in the case of dwarf galaxies where the gas cannot be considered a minor perturbation to the mass distribution of the stars. We find that three out of four galaxies studied show a flaring of their HI discs with increasing radius, by a factor of a few within several disc scale lengths. The fourth galaxy has a thick HI disc throughout. This flaring arises as a result of the gas velocity dispersion remaining constant or decreasing only slightly while the disc mass distribution declines exponentially as a function of radius.

Luminosity profiles of advanced mergers of galaxies using 2MASS data

A sample of 27 disturbed galaxies that show signs of interaction but have a single nucleus were selected from the Arp and the Arp-Madore catalogues. For these, the Ks band images from the Two Micron All Sky Survey (2MASS) are analysed to obtain their radial luminosity pro�les and other structural parameters. We �nd that in spite of their similar optical appearance, the sample galaxies vary in their dynamical properties, and fall into two distinct classes. The �rst class consists of galaxies which can be described by a single r1=4 law and the second class consists of galaxies that show an outer exponential disk. A few galaxies that have disturbed pro�les cannot be �t into either of the above classes. However, all the galaxies are similar in all other parameters such as the far-infrared colours, the molecular hydrogen content and the central velocity dispersion. Thus, the dynamical parameters of these sets seem to be determined by the ratio of the initial masses of the colliding galaxies. We propose that the galaxies in the �rst class result from a merger of spiral galaxies of equal masses whereas the second class of galaxies results from a merger of unequal mass galaxies. The few objects that do not fall into either category show a disturbed luminosity pro�le and a wandering centre, which is indicative of these being unrelaxed mergers. Of the 27 galaxies in our sample, 9 show elliptical-like pro�les and 13 show an outer exponential. Interestingly, Arp 224, the second oldest merger remnant of the Toomre sequence shows an exponential disk in the outer parts.

Origin of Disk Lopsidedness in Spiral Galaxies

In our work we have used the atomic hydrogen [HΙ] gas distribution in the HΙ 21-cm line emission to study the dark matter halo perturbations. For tHΙs analysis, the 2-D HΙ surface density and velocity maps (arcHΙval) of the galaxies in the Eridanus group (obtained using the GMRT) and in the Ursa Major group (obtained from WSRT) were used. In addition a few HΙckson Compact Groups of galaxies were also studied using the GMRT. The HΙ maps of these galaxies were Fourier analysed to estimate the asymmetry in the distribution and motion of gas. The average asymmetry parameter in the 1.5 to 2.5 K′-band scale lengths was found to be ~ 0.27 for the Eridanus group of galaxies wHΙle it was ~ 0.14 for the Ursa Major group of galaxies. The asymmetries in the distribution of HΙ as a function of Hubble type of galaxies were also studied and was found to be directly correlated with the compactness of the groups. In addition, the trend in the asymmetry as a function of the Hubble type of galaxies was opposite to that seen in the field galaxies, i.e., in the group galaxies, the early type galaxies showed more asymmetry than late type. These two aspects indicated that tidal interactions between the galaxies in a group environment to be the major cause of asymmetries. The observed asymmetry parameters were consistent with recent numerical simulations of asymmetries of gas disk caused by fly-by interactions. We have also estimated the perturbation of dark matter halo using the asymmetry parameter obtained from the Fourier series analysis of the surface density maps.

Minor mergers and their impact on the kinematics of old and young stellar populations in disk galaxies

By means of N-body simulations we investigate the impact of minor mergers on the angular momentum and dynamical properties of the merger remnant. Our simulations cover a range of initial orbital characteristics and gas-to-stellar mass fractions (from 0 to 20%), and include star formation and supernova feedback. We confirm and extend previous results by showing that the specific angular momentum of the stellar component always decreases independently of the orbital parameters or morphology of the satellite, and that the decrease in the rotation velocity of the primary galaxy is accompanied by a change in the anisotropy of the orbits. However, the decrease affects only the old stellar population, and not the new population formed from gas during the merging process. This means that the merging process induces an increasing difference in the rotational support of the old and young stellar components, with the old one lagging with respect to the new. Even if our models are not intended specifically to reproduce the Milky Way and its accretion history, we find that, under certain conditions, the modeled rotational lag found is compatible with that observed in the Milky Way disk, thus indicating that minor mergers can be a viable way to produce it. The lag can increase with the vertical distance from the disk midplane, but only if the satellite is accreted along a direct orbit, and in all cases the main contribution to the lag comes from stars originally in the primary disk rather than from stars in the satellite galaxy. We also discuss the possibility of creating counter-rotating stars in the remnant disk, their fraction as a function of the vertical distance from the galaxy midplane, and the cumulative effect of multiple mergers on their creation.

Superbubble breakout and galactic winds from disc galaxies

We study the conditions for disc galaxies to produce superbubbles that can break out of the disc and produce a galactic wind. We argue that the threshold surface density of supernovae rate for seeding a wind depends on the ability of superbubble energetics to compensate for radiative cooling. We first adapt Kompaneets formalism for expanding bubbles in a stratified medium to the case of continuous energy injection and include the effects of radiative cooling in the shell. With the help of hydrodynamic simulations, we then study the evolution of superbubbles evolving in stratified discs with typical disc parameters. We identify two crucial energy injection rates that differ in their effects, the corresponding breakout ranging from being gentle to a vigorous one. (a) Superbubbles that break out of the disc with a Mach number of the order of 2-3 correspond to an energy injection rate of the order of 10(-4) erg cm(-2) s(-1), which is relevant for disc galaxies with synchrotron emitting gas in the extra-planar regions. (b) A larger energy injection threshold, of the order of 10(-3) erg cm(-2) s(-1), or equivalently, a star formation surface density of similar to 0.1 M-circle dot yr(-1) kpc(-2), corresponds to superbubbles with a Mach number similar to 5-10. While the milder superbubbles can be produced by large OB associations, the latter kind requires super-starclusters. These derived conditions compare well with observations of disc galaxies with winds and the existence of multiphase halo gas. Furthermore, we find that contrary to the general belief that superbubbles fragment through Rayleigh-Taylor (RT) instability when they reach a vertical height of the order of the scaleheight, the superbubbles are first affected by thermal instability for typical disc parameters and that RT instability takes over when the shells reach a distance of approximately twice the scaleheight.

Suppression of gravitational instabilities by dominant dark matter halo in low-surface-brightness galaxies

The low-surface-brightness galaxies are gas rich and yet have a low star formation rate; this is a well-known puzzle. The spiral features in these galaxies are weak and difficult to trace, although this aspect has not been studied much. These galaxies are known to be dominated by the dark matter halo from the innermost regions. Here, we do a stability analysis for the galactic disc of UGC 7321, a low-surface-brightness, superthin galaxy, for which the various observational input parameters are available. We show that the disc is stable against local, linear axisymmetric and non-axisymmetric perturbations. The Toomre Q parameter values are found to be large (>> 1) mainly due to the low disc surface density, and the high rotation velocity resulting due to the dominant dark matter halo, which could explain the observed low star formation rate. For the stars-alone case, the disc shows finite swing amplification but the addition of dark matter halo suppresses that amplification almost completely. Even the inclusion of the low-dispersion gas which constitutes a high disc mass fraction does not help in causing swing amplification. This can explain why these galaxies do not show strong spiral features. Thus, the dynamical effect of a halo that is dominant from inner regions can naturally explain why star formation and spiral features are largely suppressed in low-surface-brightness galaxies, making these different from the high-surface-brightness galaxies.

Absolute/Convective Instability Transition in a Backward Facing Step Combustor: Fundamental Mechanism and Influence of Density Gradient

Hydrodynamic instabilities of the flow field in lean premixed gas turbine combustors can generate velocity perturbations that wrinkle and distort the flame sheet over length scales that are smaller than the flame length. The resultant heat release oscillations can then potentially result in combustion instability. Thus, it is essential to understand the hydrodynamic instability characteristics of the combustor flow field in order to understand its overall influence on combustion instability characteristics. To this end, this paper elucidates the role of fluctuating vorticity production from a linear hydrodynamic stability analysis as the key mechanism promoting absolute/convective instability transitions in shear layers occurring in the flow behind a backward facing step. These results are obtained within the framework of an inviscid, incompressible, local temporal and spatio-temporal stability analysis. Vorticity fluctuations in this limit result from interaction between two competing mechanisms-(1) production from interaction between velocity perturbations and the base flow vorticity gradient and (2) baroclinic torque in the presence of base flow density gradients. This interaction has a significant effect on hydrodynamic instability characteristics when the base flow density and velocity gradients are colocated. Regions in the space of parameters characterizing the base flow velocity profile, i.e., shear layer thickness and ratio of forward to reverse flow velocity, corresponding to convective and absolute instability are identified. The implications of the present results on understanding prior experimental studies of combustion instability in backward facing step combustors and hydrodynamic instability in other flows such as heated jets and bluff body stabilized flames is discussed.

Narrow escape: how ionizing photons escape from disc galaxies

In this paper we calculate the escape fraction (f(esc)) of ionizing photons from starburst galaxies. Using 2D axisymmetric hydrodynamic simulations, we study superbubbles created by overlapping supernovae in OB associations. We calculate the escape fraction of ionizing photons from the centre of the disc along different angles through the superbubble and the gas disc. After convolving with the luminosity function of OB associations, we show that the ionizing photons escape within a cone of similar to 40 degrees, consistent with observations of nearby galaxies. The evolution of the escape fraction with time shows that it falls initially as cold gas is accumulated in a dense shell. After the shell crosses a few scaleheights and fragments, the escape fraction through the polar regions rises again. The angle-averaged escape fraction cannot exceed similar to1 - cos (1 rad)] = 0.5 from geometrical considerations (using the emission cone opening angle). We calculate the dependence of the time-and angle-averaged escape fraction on the mid-plane disc gas density (in the range n(0) = 0.15-50 cm(-3)) and the disc scaleheight (between z(0) = 10 and 600 pc). We find that the escape fraction is related to the disc parameters (the mid-plane disc density and scaleheight) roughly so that f(esc)(alpha)n(0)(2)z(0)(3) (with alpha approximate to 2.2) is a constant. For discs with a given warm neutral medium temperature, massive discs have lower escape fraction than low-mass galaxies. For Milky Way ISM parameters, we find f(esc) similar to 5 per cent, and it increases to approximate to 10 per cent for a galaxy 10 times less massive. We discuss the possible effects of clumpiness of the ISM on the estimate of the escape fraction and the implications of our results for the reionization of the Universe.

ABSOLUTE/CONVECTIVE INSTABILITY TRANSITION IN A BACKWARD FACING STEP COMBUSTOR: FUNDAMENTAL MECHANISM AND INFLUENCE OF DENSITY GRADIENT

Hydrodynamic instabilities of the flow field in lean premixed gas turbine combustors can generate velocity perturbations that wrinkle and distort the flame sheet over length scales that are smaller than the flame length. The resultant heat release oscillations can then potentially result in combustion instability. Thus, it is essential to understand the hydrodynamic instability characteristics of the combustor flow field in order to understand its overall influence on combustion instability characteristics. To this end, this paper elucidates the role of fluctuating vorticity production from a linear hydrodynamic stability analysis as the key mechanism promoting absolute/convective instability transitions in shear layers occurring in the flow behind a backward facing step. These results are obtained within the framework of an inviscid, incompressible, local temporal and spatio-temporal stability analysis. Vorticity fluctuations in this limit result from interaction between two competing mechanisms - (1) production from interaction between velocity perturbations and the base flow vorticity gradient and (2) baroclinic torque in the presence of base flow density gradients. This interaction has a significant effect on hydrodynamic instability characteristics when the base flow density and velocity gradients are co-located. Regions in the space of parameters characterizing the base flow velocity profile, i.e. shear layer thickness and ratio of forward to reverse flow velocity, corresponding to convective and absolute instability are identified. The implications of the present results on prior observations of flow instability in other flows such as heated jets and bluff-body stabilized flames is discussed.

Some remarks on the symplectic pairing on the moduli space of representations of the fundamental group of surfaces

This work grew out of an attempt to understand a conjectural remark made by Professor Kyoji Saito to the author about a possible link between the Fox-calculus description of the symplectic structure on the moduli space of representations of the fundamental group of surfaces into a Lie group and pairs of mutually dual sets of generators of the fundamental group. In fact in his paper [3] , Prof. Kyoji Saito gives an explicit description of the system of dual generators of the fundamental group.

Studies on elastic coupling parameters of fracture modes in orthotropic materials

The characterisation of cracks is usually done using the well known three basic fracture modes, namely opening, shearing and tearing modes. In isotropic materials these modes are uncoupled and provide a convenient way to define the fracture parameters. It is well known that these fracture modes are coupled in anisotropic materials. In the case of orthotropic materials also, coupling exists between the fracture modes, unless the crack plane coincides with one of the axes of orthotropy. The strength of coupling depends upon the orientation of the axes of orthotropy with respect to the crack plane and so the energy release rate components associated with each of the modes vary with crack orientation. The variation, of these energy release rate components with the crack orientation with respect to orthotropic axes, is analyzed in this paper. Results indicate that in addition to the orthotropic planes there exists other planes with reference to which fracture modes are uncoupled.