Metallo crown porphyrins as ionophores-metal dependent uncoupling of mitochondrial energy potential

Porphyrins appended with crown ether moieties function as efficient uncouplesrs of oxidative phorphorylation in rat liver mitochondria. Permeation of these highly organized porphyrins decrease the respiratory coefficient index (RCI) values. Lowering of the RCI values parallels the number of K+ chelating crown ether groups attached to the porphyrins. The inhibitory effect upon the oxidative phorphorylation reaction depends on the nature of divalent metal ions, VO, Co, Cu and Zn in the porphyrin cavity and related to their relative tendency to complex intracellular K+ ions.

Energy losses at pipe trifurcations

In the case of pipe trifurcation, previous observations report negative energy losses in the centre branch. This causes an anomaly, because there should not be any negative energy loss due to conservation of energy principle. Earlier investigators have suggested that this may be due to the non-inclusion of kinetic energy coefficient (a) in the computations of energy losses without any experimental evidence. In the present work, through experimentally determined velocity profiles, energy loss coefficients have been evaluated. It has been found that with the inclusion of a in the computations of energy loss, there is no negative energy loss in the centre branch.

Spectrally Resolved Resonance Energy Transfer from ZnO:MgO Nanocrystals

Resonance energy transfer (RET) from the visible emission of core−shell ZnO:MgO nanocrystals to Nile Red chromophores, following band gap excitation in the UV, has been investigated for four different nanocrystal sizes. With use of steady state and time-resolved fluorescence spectroscopic measurements the wavelength dependent RET efficiencies have been determined. The RET process in ZnO:MgO nanocrystals occurs from emissions involving trap state recombination. There are two such processes with different RET efficiencies for the same particle size. This is shown to be a consequence of the fact that the recombination processes giving rise to the two emissions are located at different distances from the center of the particle so that the donor−acceptor distances for the two are different, even for the same particle size.

On the determination of energy eigenvalues and coupling strengths using duality

The Shifman-Vainshtein-Zakharov method of determining the eigenvalues and coupling strengths, from the operator product expansion, for the current correlation functions is studied in the nonrelativistic context, using the semiclassical expansion. The relationship between the low-lying eigenvalues, and the leading corrections to the imaginary-time Green function is elucidated by comparing systems which have almost identical spectra. In the case of an anharmonic oscillator it is found that with the procedure stated in the paper, that inclusion of more terms to the asymptotic expansion does not show any simple trend towards convergence to the exact values. Generalization to higher partial waves is given. In particular for the P-level of the oscillator, the procedure gives poorer results than for the S-level, although the ratio of the two comes out much better.

Fracture Behavior of Multidirectional DCB Specimen: Higher-Order Beam Theories

Mathematical models, for the stress analysis of symmetric multidirectional double cantilever beam (DCB) specimen using classical beam theory, first and higher-order shear deformation beam theories, have been developed to determine the Mode I strain energy release rate (SERR) for symmetric multidirectional composites. The SERR has been calculated using the compliance approach. In the present study, both variationally and nonvariationally derived matching conditions have been applied at the crack tip of DCB specimen. For the unidirectional and cross-ply composite DCB specimens, beam models under both plane stress and plane strain conditions in the width direction are applicable with good performance where as for the multidirectional composite DCB specimen, only the beam model under plane strain condition in the width direction appears to be applicable with moderate performance. Among the shear deformation beam theories considered, the performance of higher-order shear deformation beam theory, having quadratic variation for transverse displacement over the thickness, is superior in determining the SERR for multidirectional DCB specimen.

On energy-momentum tensors as sources of spin-2 fields

The improvement terms in the generalised energy-momentum tensor of Callan, Coleman and Jackiw can be derived from a variational principle if the Lagrangian is generalised to describe coupling between ‘matter’ fields and a spin-2 boson field. The required Lorentz-invariant theory is a linearised version of Kibble-Sciama theory with an additional (generally-covariant) coupling term in the Lagrangian. The improved energy-momentum tensor appears as the source of the spin-2 field, if terms of second order in the coupling constant are neglected.

Energy use in Indian household sector - An actor-oriented approach

Over the years, significant changes have taken place with regard to the type as well the quantity of energy used in Indian households. Many factors have contributed in bringing these changes. These include availability of energy, security of supplies, efficiency of use, cost of device, price of energy carriers, ease of use, and external factors like technological development, introduction of subsidies, and environmental considerations. The present paper presents the pattern of energy consumption in the household sector and analyses the causalities underlying the present usage patterns. It identifies specific (groups of) actors, study their specific situations, analyse the constraints and discusses opportunities for improvement. This can be referred to ``actor-oriented'' analysis in which we understand how various actors of the energy system are making the system work, and what incentives and constraints each of these actors is experiencing. It analyses actor linkages and their impact on the fuel choice mechanism. The study shows that the role of actors in household fuel choice is significant and depends on the level of factors - micro, meso and macro. It is recommended that the development interventions should include actor-oriented tools in energy planning, implementation, monitoring and evaluation. The analysis is based on the data from the national sample survey (NSS), India. This approach provides a spatial viewpoint which permits a clear assessment of the energy carrier choice by the households and the influence of various actors. The scope of the paper is motivated and limited by suggesting and formulating a powerful analytical technique to analyse the problem involving the role of actors in the Indian household sector.

Milking Diatoms for Sustainable Energy: Biochemical Engineering versus Gasoline-Secreting Diatom Solar Panels

In the face of increasing CO2 emissions from conventional energy (gasoline), and the anticipated scarcity of Crude oil, a worldwide effort is underway for cost-effective renewable alternative energy sources. Here, we review a simple line of reasoning: (a) geologists claim that Much crude oil comes from diatoms; (b) diatoms do indeed make oil; (c) agriculturists Claim that diatoms could make 10-200 times as much oil per hectare as oil seeds; and (d) therefore, sustainable energy could be made from diatoms. In this communication, we propose ways of harvesting oil from diatoms, using biochemical engineering and also a new solar panel approach that utilizes genomically modifiable aspects of diatom biology, offering the prospect of ``milking'' diatoms for Sustainable energy by altering them to actively secrete oil products. Secretion by and milking of diatoms may provide a way around the puzzle of how to make algae that both grow quickly and have a very high oil content.

Stereochemical studies on cyclic peptides: Detailed energy minimization studies on hydrogen bonded all-trans cyclic pentapeptide backbones

Conformational studies have been carried out on hydrogenbonded all-trans cyclic pentapeptide backbone. Application of a combination of grid search and energy minimization on this system has resulted in obtaining 23 minimum energy conformations, which are characterized by unique patterns of hydrogen bonding comprising of β- and γ-turns. A study of the minimum energy conformationsvis-a-vis non-planar deviation of the peptide units reveals that non-planarity is an inherent feature in many cases. A study on conformational clustering of minimum energy conformations shows that the minimum energy conformations fall into 6 distinct conformational families. Preliminary comparison with available X-ray structures of cyclic pentapeptide indicates that only some of the minimum energy conformations have formed crystal structures. The set of minimum energy conformations worked out in the present study can form a consolidated database of prototypes for hydrogen bonded backbone and be useful for modelling cyclic pentapeptides both synthetic and bioactive in nature.

Distance dependence of fluorescence resonance energy transfer

Deviations from the usual R (-6) dependence of the rate of fluorescence resonance energy transfer (FRET) on the distance between the donor and the acceptor have been a common scenario in the recent times. In this paper, we present a critical analysis of the distance dependence of FRET, and try to illustrate the non R (-6) type behaviour of the rate for the case of transfer from a localized electronic excitation on the donor, a dye molecule to three different energy acceptors with delocalized electronic excitations namely, graphene,two-dimensional semiconducting sheet and the case of such a semiconducting sheet rolled to obtain a nanotube. We use simple analytic models to understand the distance dependence in each case.

Universalization of access to modern energy services in Indian households-Economic and policy analysis

Provision of modern energy services for cooking (with gaseous fuels)and lighting (with electricity) is an essential component of any policy aiming to address health, education or welfare issues; yet it gets little attention from policy-makers. Secure, adequate, low-cost energy of quality and convenience is core to the delivery of these services. The present study analyses the energy consumption pattern of Indian domestic sector and examines the urban-rural divide and income energy linkage. A comprehensive analysis is done to estimate the cost for providing modern energy services to everyone by 2030. A public-private partnership-driven business model, with entrepreneurship at the core, is developed with institutional, financing and pricing mechanisms for diffusion of energy services. This approach, termed as EMPOWERS (entrepreneurship model for provision of wholesome energy-related basic services), if adopted, can facilitate large-scale dissemination of energy-efficient and renewable technologies like small-scale biogas/biofuel plants, and distributed power generation technologies to provide clean, safe, reliable and sustainable energy to rural households and urban poor. It is expected to integrate the processes of market transformation and entrepreneurship development involving government, NGOs, financial institutions and community groups as stakeholders. (C) 2009 Elsevier Ltd. All rights reserved.

An Experimental Study on Energy Absorption Behavior of Polyurethane Foams

This article is concerned with a study on the energy absorption behavior of polyurethane (PU) foams such as flexible high resilience (HR), flexible viscoelastic (VE) and semi-rigid (SR) foams as a function of the overall foam density. Foam samples were prepared in the form of cubes by mixing appropriate polyol and isocyanate compounds produced by Huntsman International India Pvt. Ltd. in varying proportions leading to a range of densities for each type of foam. The cubical samples were tested under compressive load in a standard UTM. Based on the measured load-displacement behaviors, variations of peak load and energy-absorption attributes with respect to density are plotted for each type of foam and the possible existence of an optimum foam density is shown.

A Search for Energy Minimized Sequences of Proteins

In this paper, we present numerical evidence that supports the notion of minimization in the sequence space of proteins for a target conformation. We use the conformations of the real proteins in the Protein Data Bank (PDB) and present computationally efficient methods to identify the sequences with minimum energy. We use edge-weighted connectivity graph for ranking the residue sites with reduced amino acid alphabet and then use continuous optimization to obtain the energy-minimizing sequences. Our methods enable the computation of a lower bound as well as a tight upper bound for the energy of a given conformation. We validate our results by using three different inter-residue energy matrices for five proteins from protein data bank (PDB), and by comparing our energy-minimizing sequences with 80 million diverse sequences that are generated based on different considerations in each case. When we submitted some of our chosen energy-minimizing sequences to Basic Local Alignment Search Tool (BLAST), we obtained some sequences from non-redundant protein sequence database that are similar to ours with an E-value of the order of 10(-7). In summary, we conclude that proteins show a trend towards minimizing energy in the sequence space but do not seem to adopt the global energy-minimizing sequence. The reason for this could be either that the existing energy matrices are not able to accurately represent the inter-residue interactions in the context of the protein environment or that Nature does not push the optimization in the sequence space, once it is able to perform the function.

Allostery and conformational free energy changes in human tryptophanyl-tRNA synthetase from essential dynamics and structure networks

The interdependence of the concept of allostery and enzymatic catalysis, and they being guided by conformational mobility is gaining increased prominence. However, to gain a molecular level understanding of llostery and hence of enzymatic catalysis, it is of utter importance that the networks of amino acids participating in allostery be deciphered. Our lab has been exploring the methods of network analysis combined with molecular dynamics simulations to understand allostery at molecular level. Earlier we had outlined methods to obtain communication paths and then to map the rigid/flexible regions of proteins through network parameters like the shortest correlated paths, cliques, and communities. In this article, we advance the methodology to estimate the conformational populations in terms of cliques/communities formed by interactions including the side-chains and then to compute the ligand-induced population shift. Finally, we obtain the free-energy landscape of the protein in equilibrium, characterizing the free-energy minima accessed by the protein complexes. We have chosen human tryptophanyl-tRNA synthetase (hTrpRS), a protein esponsible for charging tryptophan to its cognate tRNA during protein biosynthesis for this investigation. This is a multidomain protein exhibiting excellent allosteric communication. Our approach has provided valuable structural as well as functional insights into the protein. The methodology adopted here is highly generalized to illuminate the linkage between protein structure networks and conformational mobility involved in the allosteric mechanism in any protein with known structure.