Renewable energy and energy conservation technologies

Energy systems should be consistent with environmental, economic and social sustainability in order to ensure regional sustainable development. This enhances both current and future potential to meet the human needs and aspirations. Sustainable development, a process of change, in which, the exploitation of resources, the direction of investments , the orientation of technological development and institutional change are in harmony. National energy programme should prioritize the development of renewable energy sources, which offer the potentially huge sources of primary energy. The path for sustainability in the next millennium is the low energy path through wise use of energy. Energy conservation and energy efficiency measures would certainly result in meeting the energy demand with as little as half the primary supply at current levels. This requires profound structural changes in socio-economic and institutional arrangements. Environmentally sound, technically and economically viable energy pathways will sustain human progress in the long term future giving a fair and equitable share of the underprivileged and poor of the developing countries. Renewable energy is considered by some as the only hope for the survival of planet yet by others it is viewed as a marginal resource with limited resource. All too often, however, the facts behind the role that renewable energy can, and will, play in the regional energy scene are disguised or ignored as rival camps distort the evidence to suit their own objectives. It was in the light of this confusion that the Energy Research Group at Centre for Ecological Sciences, Indian Institute of Science undertook investigation in Kolar and Uttara Kannada Districts in Karnataka State, India to identify the potential contribution of several types of renewable energy sources: Solar, Wind, Hydro, Bioenergy, etc.

Corona treatment for NOx reduction from stationary diesel engine exhaust: Impact of nature of energization and exhaust composition

A detailed study on the removal of oxides of nitrogen (NOx) from the exhaust of a stationary diesel engine was carried out using non-thermal plasma (dielectric barrier discharge) process. The objective of the study was to explore the effect of different voltage energizations and exhaust composition on the NOx removal process. Three types of voltage energizations, namely AC, DC and Pulse were examined. Due to the ease of generation of high voltage AC/DC electrical discharges from automobile/Vehicular battery supply for possible retrofitting in exhaust cleaning circuit, it was found relevant to investigate individual energisation cases in detail for NOx removal. AC and Pulse energisations exhibit a superior NOx removal efficiency compared to DC energisation. However,Pulse energisation is found to be more energy efficient. Experiments were further carried out with filtered/ unfiltered (raw) exhaust under pulse energisations. The results were discussed with regard to NOx removal, energy consumption and formation of by-products.

The Nature of Bond Critical Points in Dinuclear Copper(I) Complexes

Closed-shell contacts between two copper(I) ions are expected to be repulsive. However, such contacts are quite frequent and are well documented. Crystallographic characterization of such contacts in unsupported and bridged multinuclear copper(I) complexes has repeatedly invited debates on the existence of cuprophilicity. Recent developments in the application of Baders theory of atoms-in-molecules (AIM) to systems in which weak hydrogen bonds are involved suggests that the copper(I)copper(I) contacts would benefit from a similar analysis. Thus the nature of electron-density distributions in copper(I) dimers that are unsupported, and those that are bridged, have been examined. A comparison of complexes that are dimers of symmetrical monomers and those that are dimers of two copper(I) monomers with different coordination spheres has also been made. AIM analysis shows that a bond critical point (BCP) between two Cu atoms is present in most cases. The nature of the BCP in terms of the electron density, ?, and its Laplacian is quite similar to the nature of critical points observed in hydrogen bonds in the same systems. The ? is inversely correlated to Cu?Cu distance. It is higher in asymmetrical systems than what is observed in corresponding symmetrical systems. By examining the ratio of the local electron potential-energy density (Vc) to the kinetic energy density (Gc), |Vc|/Gc at the critical point suggests that these interactions are not perfectly ionic but have some shared nature. Thus an analysis of critical points by using AIM theory points to the presence of an attractive metallophilic interaction similar to other well-documented weak interactions like hydrogen bonding.

Evidence for the ``Amphoteric'' Nature of Fluorine in Halogen Bonds: An Instance of Cl center dot center dot center dot F Contact

This study presents unambiguous experimental evidence in support of the highly debated ``halogen bond donor'' character of organic fluorine. Two examples of intermolecular Cl center dot center dot center dot F contacts, with F-atom as halogen bond acceptor and donor, have been analyzed by in situ cryocrystallography and theoretical charge density studies.

Protein-Protein Interactions in Clathrin Vesicular Assembly: Radial Distribution of Evolutionary Constraints in Interfaces

In eukaryotic organisms clathrin-coated vesicles are instrumental in the processes of endocytosis as well as intracellular protein trafficking. Hence, it is important to understand how these vesicles have evolved across eukaryotes, to carry cargo molecules of varied shapes and sizes. The intricate nature and functional diversity of the vesicles are maintained by numerous interacting protein partners of the vesicle system. However, to delineate functionally important residues participating in protein-protein interactions of the assembly is a daunting task as there are no high-resolution structures of the intact assembly available. The two cryoEM structures closely representing intact assembly were determined at very low resolution and provide positions of C alpha atoms alone. In the present study, using the method developed by us earlier, we predict the protein-protein interface residues in clathrin assembly, taking guidance from the available low-resolution structures. The conservation status of these interfaces when investigated across eukaryotes, revealed a radial distribution of evolutionary constraints, i.e., if the members of the clathrin vesicular assembly can be imagined to be arranged in spherical manner, the cargo being at the center and clathrins being at the periphery, the detailed phylogenetic analysis of these members of the assembly indicated high-residue variation in the members of the assembly closer to the cargo while high conservation was noted in clathrins and in other proteins at the periphery of the vesicle. This points to the strategy adopted by the nature to package diverse proteins but transport them through a highly conserved mechanism.

Magnetocaloric effect and nature of magnetic transition in nanoscale Pr0.5Ca0.5MnO3

Systematic measurements pertinent to the magnetocaloric effect and nature of magnetic transition around the transition temperature are performed in the 10 nm Pr0.5Ca0.5MnO3 nanoparticles (PCMO10). Maxwell's relation is employed to estimate the change in magnetic entropy. At Curie temperature (T-C) similar to 83.5 K, the change in magnetic entropy (-Delta S-M) discloses a typical variation with a value 0.57 J/kg K, and is found to be magnetic field dependent. From the area under the curve (Delta S vs T), the refrigeration capacity is calculated at T-C similar to 83.5K and it is found to be 7.01 J/kg. Arrott plots infer that due to the competition between the ferromagnetic and anti-ferromagnetic interactions, the magnetic phase transition in PCMO10 is broadly spread over both in temperature as well as magnetic field coordinates. Upon tuning the particle size, size distribution, morphology, and relative fraction of magnetic phases, it may be possible to enhance the magnetocalorific effect further in PCMO10. (C) 2012 American Institute of Physics. http://dx.doi.org/10.1063/1.4759372]

Directional Diffusion Regulator (DDR) for some numerical solvers of hyperbolic conservation laws

A computational tool called ``Directional Diffusion Regulator (DDR)'' is proposed to bring forth real multidimensional physics into the upwind discretization in some numerical schemes of hyperbolic conservation laws. The direction based regulator when used with dimension splitting solvers, is set to moderate the excess multidimensional diffusion and hence cause genuine multidimensional upwinding like effect. The basic idea of this regulator driven method is to retain a full upwind scheme across local discontinuities, with the upwind bias decreasing smoothly to a minimum in the farthest direction. The discontinuous solutions are quantified as gradients and the regulator parameter across a typical finite volume interface or a finite difference interpolation point is formulated based on fractional local maximum gradient in any of the weak solution flow variables (say density, pressure, temperature, Mach number or even wave velocity etc.). DDR is applied to both the non-convective as well as whole unsplit dissipative flux terms of some numerical schemes, mainly of Local Lax-Friedrichs, to solve some benchmark problems describing inviscid compressible flow, shallow water dynamics and magneto-hydrodynamics. The first order solutions consistently improved depending on the extent of grid non-alignment to discontinuities, with the major influence due to regulation of non-convective diffusion. The application is also experimented on schemes such as Roe, Jameson-Schmidt-Turkel and some second order accurate methods. The consistent improvement in accuracy either at moderate or marked levels, for a variety of problems and with increasing grid size, reasonably indicate a scope for DDR as a regular tool to impart genuine multidimensional upwinding effect in a simpler framework. (C) 2012 Elsevier Inc. All rights reserved.

Nature of Quiet Sun Oscillations Using Data from the Hinode, TRACE, and SOHO Spacecraft

We study the nature of quiet-Sun oscillations using multi-wavelength observations from TRACE, Hinode, and SOHO. The aim is to investigate the existence of propagating waves in the solar chromosphere and the transition region by analyzing the statistical distribution of power in different locations, e.g. in bright magnetic (network), bright non-magnetic and dark non-magnetic (inter-network) regions, separately. We use Fourier power and phase-difference techniques combined with a wavelet analysis. Two-dimensional Fourier power maps were constructed in the period bands 2 -aEuro parts per thousand 4 minutes, 4 -aEuro parts per thousand 6 minutes, 6 -aEuro parts per thousand 15 minutes, and beyond 15 minutes. We detect the presence of long-period oscillations with periods between 15 and 30 minutes in bright magnetic regions. These oscillations were detected from the chromosphere to the transition region. The Fourier power maps show that short-period powers are mainly concentrated in dark regions whereas long-period powers are concentrated in bright magnetic regions. This is the first report of long-period waves in quiet-Sun network regions. We suggest that the observed propagating oscillations are due to magnetoacoustic waves, which can be important for the heating of the solar atmosphere.

Rationalization and prediction of drug resistant mutations in targets for clinical anti-tubercular drugs

Resistance to therapy limits the effectiveness of drug treatment in many diseases. Drug resistance can be considered as a successful outcome of the bacterial struggle to survive in the hostile environment of a drug-exposed cell. An important mechanism by which bacteria acquire drug resistance is through mutations in the drug target. Drug resistant strains (multi-drug resistant and extensively drug resistant) of Mycobacterium tuberculosis are being identified at alarming rates, increasing the global burden of tuberculosis. An understanding of the nature of mutations in different drug targets and how they achieve resistance is therefore important. An objective of this study is to first decipher sequence as well as structural bases for the observed resistance in known drug resistant mutants and then to predict positions in each target that are more prone to acquiring drug resistant mutations. A curated database containing hundreds of mutations in the 38 drug targets of nine major clinical drugs, associated with resistance is studied here. Mutations have been classified into those that occur in the binding site itself, those that occur in residues interacting with the binding site and those that occur in outer zones. Structural models of the wild type and mutant forms of the target proteins have been analysed to seek explanations for reduction in drug binding. Stability analysis of an entire array of 19 mutations at each of the residues for each target has been computed using structural models. Conservation indices of individual residues, binding sites and whole proteins are computed based on sequence conservation analysis of the target proteins. The analyses lead to insights about which positions in the polypeptide chain have a higher propensity to acquire drug resistant mutations. Thus critical insights can be obtained about the effect of mutations on drug binding, in terms of which amino acid positions and therefore which interactions should not be heavily relied upon, which in turn can be translated into guidelines for modifying the existing drugs as well as for designing new drugs. The methodology can serve as a general framework to study drug resistant mutants in other micro-organisms as well.

Influence of nature of support on the catalytic activity of supported molybdenum-oxo species in benzyl alcohol conversion

Supported catalysts containing 15 wt.% of molybdenum have been prepared by the incipient wetness impregnation method. CaO, MgO, Al2O3, Zr(OH)4 and Al(OH)3 have been used as supports for the preparation of supported Mo catalysts. Characterisation of all the materials prepared has been carried out through BET surface area measurement, X-ray diffractometry and FT-IR spectroscopy. Catalytic activity measurements have been carried out with reference to structure-sensitive benzyl alcohol conversion in the liquid phase. The percentage conversion of benzyl alcohol to benzaldehyde and toluene varied over a large range depending on the support used for the preparation of catalysts, indicating the importance of the support on catalytic activity of Mo catalysts. Al(OH)3 has been found to be the best support for molybdenum among all the supports used. Support–metal interaction (SMI) has been found to play an important role in determining the catalytic activity of supported catalysts.