Structure of ant assemblages in Western Ghats, India: role of habitat, disturbance and introduced species

1. Habitat fragmentation, anthropogenic disturbance and the introduction of invasive species are factors thought to structure ant assemblages. To understand responses of the ant community to changes in the environment, ants are commonly categorised into functional groups, a scheme developed and based on Australian ants. 2. Behaviourally dominant and aggressive ants of the dominant dolichoderinae functional group have been suggested to structure the ant assemblages in arid and semi-arid habitats of these regions. Given the limited geographical distribution of dominant dolichoderinae, it is crucial to determine the responses of the ant community to changes in the environment in their absence. 3. This study addresses this less studied aspect by considering the associations of ants of Western Ghats, India, with habitat, anthropogenic disturbance and introduced ants. We determined how ant functional groups respond to these factors in this region, where dominant dolichoderines are naturally absent, and whether responses are consistent with predictions derived from the ant functional group scheme. 4. This study provides new information on ant assemblages in a little-studied region. As in other parts of the world, ant assemblages in Western Ghats were strongly influenced by habitat and disturbance, with different functional groups associated with different habitats and levels of disturbance. 5. No functional group showed evidence of being influenced by the abundance of introduced species. In addition, predictions of negative interactions between functional groups were not supported. Our findings suggest that abiotic factors are universal determinants of ant assemblage structure, but that competitive interactions may not be.

Conformational preferences of α-functionalised keten-S,N-acetals: Potential role of SO and SS interactions in solution

PMR spectra of carbonyl compounds 2a-k reveal significant variations in the population of E and Z isomers on changing the solvent from CDCl3 to DMSO-d6. In non-polar media, the intramolecular N-H…. O hydrogen bonded form is exclusively observed. In DMSO-d6, the alternative Z form is also populated. A similar conformational switch is also noted in the corresponding thiones. Different interpretations are critically analysed. The most consistent explanation is suggested to involvean interplay of N-H….X hydrogen bonding and S…X attractive interaction (X = O,S) in these systems. Ab initio calculations support this interpretation.

Photochemical intramolecular gamma-hydrogen abstraction in a ketone and an alkene and the role of tunneling of hydrogen

Intramolecular gamma-hydrogen abstraction reactions were examined in pentane-2-one and 2-methyl-1-pentene in their lowest triplet states using the AM1 semi-empirical molecular orbital method with the complete geometry optimization in the unrestricted Hartree-Fock frame. The results reveal that the oxygen atom of the carbonyl group and the end carbon atom of the olefinic bond acquire high free valence and spin density indices in their respective lowest triplet states, leading to abstraction of hydrogen from the gamma-position relative to the carbonyl and olefinic bonds. The theoretical energy profiles fit with a polynomial and the probability of tunneling of hydrogen was estimated by the WKB (Wentzel, Kramer and Brillouin) method. The results, after thermal averaging of the rate constants, reveal that tunneling of hydrogen is significant at room temperature.

Role of bacterial growth conditions and adhesion in the bioleaching of chalcopyrite by Thiobacillus ferrooxidans

The role of growth conditions and adhesion of Thiobacillus ferrooxidans on the leaching of chalcopyrite was investigated. Thiobacillus ferrooxidans grown on sulfur, thiosulfate and ferrous ion substrates was used in this comparative study. Growth on sulfur, a solid substrate, requires bacterial adhesion unlike that required in the presence of soluble thiosulfate and ferrous ion in a mineral-salts medium. Solid substrate-grown cells showed higher rates of leaching than those grown in liquid media. An initial lag period noticed during leaching by solution-grown cells was absent when solid substrate-grown cells were used. Such a behavior is attributed to the presence of an inducible proteinaceous cell-surface appendage on the sulfur-grown cells. This appendage aids in bacterial adhesion onto the mineral surfaces. Such an appendage is absent in solution-grown cells, as substantiated by electrophoretic measurements. The importance of bacterial adhesion and the direct mechanism in leaching by Thiobacillus ferrooxidans are demonstrated.

Role of elasto-plastic analysis under cyclic loading in fatigue crack growth studies

Linear Elastic Fracture Mechanics (LEFM) has been widely used in the past for fatigue crack growth studies, but this is acceptable only in situations which are within small scale yielding (SSY). In many practical structural components, conditions of SSY could be violated and one has to look for fracture criteria based on elasto-plastic analysis. Crack closure phenomenon, one of the most striking discoveries based on inelastic deformations during crack growth, has significant effect on fatigue crack growth rate. Numerical simulation of this phenomenon is computationally intensive and involved but has been successfully implemented. Stress intensity factors and strain energy release rates lose their meaning, J-integral (or its incremental) values are applicable only in specific situations, whereas alternate path independent integrals have been proposed in the literature for use with elasto-plastic fracture mechanics (EPFM) based criteria. This paper presents certain salient features of two independent finite element (numerical) studies of relevance to fatigue crack growth, where elasto-plastic analysis becomes significant. These problems can only be handled in the current day computational environment, and would have been only a dream just a few years ago.

Role of free valences and spin densities on the migrating atom in location of saddle points in radical-exchange reactions

The principle of the conservation of bond orders during radical-exchange reactions is examined using Mayer's definition of bond orders. This simple intuitive approximation is not valid in a quantitative sense. Ab initio results reveal that free valences (or spin densities) develop on the migrating atom during reactions. For several examples of hydrogen-transfer reactions, the sum of the reaction coordinate bond orders in the transition state was found to be 0.92 +/- 0.04 instead of the theoretical 1.00 because free valences (or spin densities) develop on the migrating atom during reactions. It is shown that free valence is almost equal to the square of the spin density on the migrating hydrogen atom and the maxima in the free valence (or spin density) profiles coincide (or nearly coincide) with the saddle points in the corresponding energy profiles.

Role of spacer chain length in dimeric micellar organization. Small angle neutron scattering and fluorescence studies

Micelles of different dimeric amphiphiles Br-, n-C(16)H(33)NMe(2)(+) -(CH)(m)-N(+)Me(2)-n-C16H33, Br- (where m = 3, 4, 5, 6, 8, 10, and 12) adapt different morphologies and internal packing arrangements in aqueous media depending on their spacer chain length (m). Detailed measurements of small angle neutron scattering (SANS) cross sections from different bis-cationic, dimeric surfactant micelles in aqueous media (D2O) are reported. The data have been analyzed using the Hayter and Penfold model for macro ion solution to compute the interparticle structure factor S(Q) taking into account the screened Coulomb interactions between the dimeric micelles. The SANS analysis clearly indicated that the extent of aggregate growth and the variations of shapes of the dimeric micelles depend primarily on the spacer chain length. With spacer chain length, m less than or equal to 4, the propensity of micellar growth was particularly pronounced. The effects of the variation of the concentration of dimeric surfactants with m = 5 and 10 on the SANS spectra and the effects of the temperature variation for the micellar system with m = 10 were also examined. The critical micelle concentrations (cmc) and their microenvironmental feature, namely, the microviscosities that the dimeric micellar aggregates offer to a solubilized, extrinsic fluorescence probe, 1,6-diphenyl-1,3,5-hexatriene, were also determined. The changes of cmcs and microviscosities as a function of spacer chain length have been explained in terms of conformational variations and progressive looping of the spacer in micellar core upon increasing m values.

Role of zirconium addition on stability of UAl3 phase in Al-U system

The microstructural changes of Al-22 wt%U and Al-46 wt%U alloys containing 3 wt% Zr were investigated after heat treatment at 620 degrees C for 1 to 45 days, Though it is reported that addition of similar to 3 wt% Zr stabilizes the (U,Zr)Al-3 phase at room temperature, the present investigation shows that the (U,Zr)Al-3 phase is not stable but slowly transforms to the U0.9Al4 phase, The high temperature creep curves generated for these ternary alloys showed a wavy pattern which also suggests that the (U,Zr)Al-3 phase is not stable.

Sintering of beta titanium: Role of dislocation pipe diffusion

Sintering of titanium in its high temperature beta phase was studied by isothermal dilatometry. The sintering shrinkage y did not follow the normal time exponent type of behaviour, instead being described by the equation y = Kt(m)/[1-(A+Bt)(2)], where m = 1.93 +/- 0.07, with an activation energy of 62-90 kJ mol(-1). A detailed analysis of these results, based on the 'anomalous' diffusion behaviour reported for beta titanium, is carried out. It is shown that the generation of a high density of dislocations during the alpha --> beta phase transformation, coupled with sluggish recovery at the sintering necks, enables sintering mass transport by pipe diffusion through dislocation cores from sources of matter within the particles to become dominant.

Engineered dimer interface mutants of triosephosphate isomerase: the role of inter-subunit interactions in enzyme function and stability

The role of inter-subunit interactions in maintaining optimal catalytic activity in triosephosphate isomerase (TIM) has been probed, using the Plasmodium falciparum enzyme as a model. Examination of subunit interface contacts in the crystal structures suggests that residue 75 (Thr, conserved) and residue 13 (Cys, variable) make the largest number of inter-subunit contacts. The mutants Cys13Asp (C13D) and Cys13Glu (C13E) have been constructed and display significant reduction in catalytic activity when compared with wild-type (WT) enzyme (similar to 7.4-fold decrease in k(cat) for the C13D and similar to 3.3-fold for the C13E mutants). Analytical gel filtration demonstrates that the C13D mutant dissociates at concentrations < 1.25 mu M, whereas the WT and the C13E enzymes retain the dimeric structure. The order of stability of the mutants in the presence of chemical denaturants, like urea and guanidium chloride, is WT > Cys13Glu > Cys13Asp. Irreversible thermal precipitation temperatures follow the same order as well. Modeling studies establish that the Cys13Asp mutation is likely to cause a significantly greater structural perturbation than Cys13Glu. Analysis of sequence and structural data for TIMs from diverse sources suggests that residues 13 and 82 form a pair of proximal sites, in which a limited number of residue pairs may be accommodated.

Role of Water in the Enzymatic Catalysis: Study of ATP plus AMP -> 2ADP Conversion by Adenylate Kinase

The catalytic conversion ATP + AMP -> 2ADP by the enzyme adenylate kinase (ADK) involves the binding of one ATP. molecule to the LID domain and one AMP molecule to the NMP domain. The latter is followed by a. phosphate transfer and then the release of two ADP molecules. We have computed a novel two-dimensional configurational free energy surface (2DCFES), with one reaction coordinate each for the LID and the NMP domain motions, while considering explicit water interactions. Our computed 2DCFES clearly reveals the existence of a stable half-open half-closed (HOHC) intermediate stale of the enzyme. Cycling of the enzyme through the HOHC state reduces the conformational free energy barrier for. the reaction by about 20 kJ/mol. We find that the stability of the HOHC state (missed in all earlier studies with implicit solvent model) is largely because of the increase of specific interactions of the polar amino acid side chains with water, particularly with the arginine and the histidine residues. Free energy surface of the LID domain is rather rugged, which can conveniently slow down LID's conformational motion, thus facilitating a new substrate capture after the product release in the catalytic cycle.

Superconducting properties of Tl1?yPbyCaSr2Cu2O7: Role of Pb and oxygen stoichiometry

In the Tl1-yPbyCaSr2Cu2O7 system, monophasic superconducting compositions are formed in the range 0.25 < y < 0.60 and the minimum Pb content required to stabilize the tetragonal 1122 phase is about 25%. Maximum Tc is found when y = 0.5, at which composition the hole concentration is optimal. Metallic compositions of Tl1?yPbyCaSr2Cu2O7 (y = 0.25) and Tl0.75Pb0.25Y1?xCaxSr2Cu2O7 (0.80 less-than-or-equals, slant X less-than-or-equals, slant 1.0) become superconducting on decreasing the oxygen content by vacuum annealing.

Observations on the role of the steel disc counterface during the sliding of various structural ceramics

Sliding wear characteristics and mechanisms of structural ceramics, namely Al2O3, zirconia-toughened alumina, tetragonal zirconia polycrystals (TZP) and Si3N4 against a steel counterface are influenced by mechanical and tribochemical interactions, specific to the combinations studied. The present paper studies the role of the disc in the sliding wear process of the above ceramics. Experiments were conducted at a pressure of 15.5 MPa between 0.1 and 12.0 m s(-1) with ceramic pins sliding against an EN-24 steel disc. Except in the case of TZP, the disc morphology is sensitive to variations in speed rather than to the pin material. The disc track is (i) mildly abraded at low speeds (about 0.1-0.75 m s(-1)), (ii) severely abraded at intermediate speeds (about 1.0-3.0 m s(-1)), (iii) covered with black patches at high speeds (about 4.0-6.0 m s(-1)) and (iv) completely black at very high speeds (about 7.0-12.0 m s(-1)). In the case of TZP, although black patches appear, transfer of TZP onto the disc surface and high wear of TZP occurs at 4.0 m s(-1). The order of the wear of the disc estimated from profilometric measurements is the same for all the ceramics. Except for Si3N4, the onset of wear of the ceramics is associated with the appearance of deep 'V' grooves on either side of the profile of the disc track. This can be explained on the basis of the thermal and hardness variations. Although other interaction products specific to the ceramic pin are present, the formation of iron oxides dominates the wear of the disc.

The role of Compton and Raman scattering in the quasar continuum

There are three ways in which an electromagnetic wave can undergo scattering in a plasma: (i) when the scattering of radiation occurs by a single electron, it is called Compton Scattering (CS); (ii) if it occurs by a longitudinal electron plasma mode, it is called Stimulated Raman Scattering (SRS), and (iii) if it occurs by a highly damped electron plasma mode, it is called Stimulated Compton Scattering (SCS). The non-thermal continuum of quasars is believed to be produced through the combined action of synchrotron and inverse Compton processes, which are essentially single-particle processes. Here, we investigate the role of SRS and SCS in the generation of continuum radiation from these compact objects. It is shown as an example that the complete spectrum of 3C 273 can be reproduced by suitably combining SCS and SRS. The differential contributions of SCS and SRS under different values of the plasma parameters are also calculated.