Protein Hydration and Water Structure: X-ray Analysis of a Closely Packed Protein Crystal with Very Low Solvent Content

Low-humidity monoclinic lysozyme, resulting from a water-mediated transformation, has one of the lowest solvent contents (22% by volume) observed in a protein crystal. Its structure has been solved by the molecular replacement method and refined to an R value of 0.175 for 7684 observed reflections in the 10–1.75 Å resolution shell. 90% of the solvent in the well ordered crystals could be located. Favourable sites of hydration on the protein surface include side chains with multiple hydrogen-bonding centres, and regions between short hydrophilic side chains and the main-chain CO or NH groups of the same or nearby residues. Major secondary structural features are not disrupted by hydration. However, the free CO groups at the C terminii and, to a lesser extent, the NH groups at the N terminii of helices provide favourable sites for water interactions, as do reverse turns and regions which connect β-structure and helices. The hydration shell consists of discontinuous networks of water molecules, the maximum number of molecules in a network being ten. The substrate-binding cleft is heavily hydrated, as is the main loop region which is stabilized by water interactions. The protein molecules are close packed in the crystals with a molecular coordination number of 14. Arginyl residues are extensively involved in intermolecular hydrogen bonds and water bridges. The water molecules in the crystal are organized into discrete clusters. A distinctive feature of the clusters is the frequent occurrence of three-membered rings. The protein molecules undergo substantial rearrangement during the transformation from the native to the low-humidity form. The main-chain conformations in the two forms are nearly the same, but differences exist in the side-chain conformation. The differences are particularly pronounced in relation to Trp 62 and Trp 63. The shift in Trp 62 is especially interesting as it is also known to move during inhibitor binding.

Effect of zinc content on the processing map for hot working of α brass

The hot deformation behavior of α brass with varying zinc contents in the range 3%–30% was characterized using hot compression testing in the temperature range 600–900 °C and strain rate range 0.001–100 s−1. On the basis of the flow stress data, processing maps showing the variation of the efficiency of power dissipation (given by Image where m is the strain rate sensitivity) with temperature and strain rate were obtained. α brass exhibits a domain of dynamic recrystallization (DRX) at temperatures greater than 0.85Tm and at strain rates lower than 1 s−1. The maximum efficiency of power dissipation increases with increasing zinc content and is in the range 33%–53%. The DRX domain shifts to lower strain rates for higher zinc contents and the strain rate for peak efficiency is in the range 0.0001–0.05 s−1. The results indicate that the DRX in α brass is controlled by the rate of interface formation (nucleation) which depends on the diffusion-controlled process of thermal recovery by climb.

A Geostatistical Study pf Alumina-Content in Ores of An Indian Iron-Ore Deposit

Mining and blending operations in the high grade iron ore deposit under study are performed to optimize recovery with minimal alumina content while maintaining required levels of other chemical component and a proper mix of ore types. In the present work the regionalisation of alumina in the ores has been studied independently and its effects on global and local recoverable tonnage as well as on alternatives of mining operations have been evaluated. The global tonnage recovery curves for blocks (20m x 20m x 12m) obtained by simulation closely approximated the curves obtained theoretically using a change of support under the discretised gaussian model. Variations in block size up to 80m x 20m x 12m did not affect the recovery as the horizontal dimensions of the blocks are small in relation to the range of the variogram. A comparison of the local tonnage recovery curves obtained through multiple conditional simulations made with that obtained by the method of uniform conditioning of block grades on an estimate of panel 100m x 100m x 12m panel grade reveals comparable results only in panels which have been well conditioned and possesing an ensemble simulation mean close to the ordinary kriged value for the panel. Study of simple alternative sequence of mining on the conditionally simulated deposit shows that concentration of mining operations simultaneously on a single bench enhances the fluctuation in alumina values of ore mined.

Metal-Insulator Transitions in Anion-Excess LaMnO3+? Controlled by the Mn4+ Content

LaMnO3+? samples with Mn4+ content up to 50% have been prepared by different methods. The structure of LaMnO3+? changes from orthorhombic to cubic (via rhombohedral) with increase in the Mn4+ content. LaMnO3+? samples containing greater than 20% Mn4+ are ferromagnetic and show resistivity maxima at a temperature Tt which is close to the ferromagnetic Curie temperature. The resistivity maximum is due to the occurrence of a metal-insulator transition. In samples heated to the same temperature, the value of Tt increases with % Mn4+. For a given sample, Tt increases with the temperature of heat treatment due to the increase in particle size. The onset of ferromagnetism in LaMnO3+? accompanied by an insulator-metal transition is similar to that found in La1-xCaxMnO3 and La1-xSrxCoO3.

A non-cooperative game-theoretic approach to channel assignment in multi-channel multi-radio wireless networks

Channel assignment in multi-channel multi-radio wireless networks poses a significant challenge due to scarcity of number of channels available in the wireless spectrum. Further, additional care has to be taken to consider the interference characteristics of the nodes in the network especially when nodes are in different collision domains. This work views the problem of channel assignment in multi-channel multi-radio networks with multiple collision domains as a non-cooperative game where the objective of the players is to maximize their individual utility by minimizing its interference. Necessary and sufficient conditions are derived for the channel assignment to be a Nash Equilibrium (NE) and efficiency of the NE is analyzed by deriving the lower bound of the price of anarchy of this game. A new fairness measure in multiple collision domain context is proposed and necessary and sufficient conditions for NE outcomes to be fair are derived. The equilibrium conditions are then applied to solve the channel assignment problem by proposing three algorithms, based on perfect/imperfect information, which rely on explicit communication between the players for arriving at an NE. A no-regret learning algorithm known as Freund and Schapire Informed algorithm, which has an additional advantage of low overhead in terms of information exchange, is proposed and its convergence to the stabilizing outcomes is studied. New performance metrics are proposed and extensive simulations are done using Matlab to obtain a thorough understanding of the performance of these algorithms on various topologies with respect to these metrics. It was observed that the algorithms proposed were able to achieve good convergence to NE resulting in efficient channel assignment strategies.

Absolutely expedient algorithms for learning Nash equilibria

This paper considers a multi-person discrete game with random payoffs. The distribution of the random payoff is unknown to the players and further none of the players know the strategies or the actual moves of other players. A class of absolutely expedient learning algorithms for the game based on a decentralised team of Learning Automata is presented. These algorithms correspond, in some sense, to rational behaviour on the part of the players. All stable stationary points of the algorithm are shown to be Nash equilibria for the game. It is also shown that under some additional constraints on the game, the team will always converge to a Nash equilibrium.

Characterization of lysozyme crystals with unusually low solvent content

Studies on the low-humidity (88%) forms of tetragonal and monoclinic lysozyme, resulting from water-mediated transformations, have provided a wealth of information on the variability in protein hydration, its structural consequences and the water structure associated with proteins, in addition to facilitating the delineation of the rigid and the flexible regions in the protein molecule and the invariant features in its hydration shell. Surprisingly, monoclinic lysozyme continues to diffract even when the environmental humidity is drastically reduced, thus permitting the structural study of the enzyme at different levels of hydration. As part of a study in this direction, three very low humidity forms, two of them occuring at a nominal relative humidity of 38% and the other at 5% relative humidity, have been characterized. These have unprecedented low solvent contents of 16.9, 17.6 and 9.4%, respectively, as determined by the Matthews method.

Optimization of Lime Content for Fly Ash

Abundant quantities of fly ash have been produced by thermal power plants situated ail over the world. Many applications of fly ash depend upon its pozzolanic reactivity. This reactivity depends upon many factors, including lime content. Many fly ashes show marked improvement with the addition of lime. However, for every fly ash, there is an optimum lime content for its maximum reactivity. There is no well-established simple test to determine the optimum lime content. In this paper an attempt is made to use a simple physical and physico chemical test to determine the optimum lime content. The principle behind the use of a pH test, liquid limit test, and free swell index test to determine the optimum lime content has been explained. All the methods predict nearly the same optimum lime content and correlate well with that determined by the strength test.

Giant magnetoresistance in bulk samples of LaMnO3 with varying Mn4+ content

Magnetoresistance (MR) in bulk samples of LaMnO3 has been investigated by varying the Mn4+ content from 10 to 33 per cent by chemical means, without aliovalent doping. With the increase in Mn4+ content, the structure of LaMnO3 changes first from orthorhombic to rhombohedral and then to cubic and the material becomes increasingly ferromagnetic, exhibiting a resistivity maximum akin to an insulator-metal transition at T-Peak, just below the ferromagnetic T-c. The magnitude of MR is highest in the cubic sample (with 33% Mn4+) around the T-Peak, and negligible in the non-magnetic orthorhombic sample (12% Mn4+).

Variations in the Levels of Aminoacylation and Modified Nucleotide Content Between Total Transfer-RNAS From Chloroplasts and Etioplasts in Cucumber Cotyledons

Total tRNAs isolated from chloroplasts and etioplasts of cucumber cotyledons were compared with respect to amino acid acceptance, isoacceptor distribution and extent of modification. Aminoacylation of the tRNAs with nine different amino acids studied indicated that the relative acceptor activities of chloroplast total tRNAs for four amino acids are significantly higher than etioplast total tRNAs. Two dimensional polyacrylamide gel electrophoresis (2D-PAGE) of chloroplast total tRNAs separated at least 32 spots, while approximately 41 spots were resolved from etioplast total tRNAs. Comparison of the reversed-phase chromatography (RPC-5) profiles of chloroplast and etioplast leucyl-, lysyl-, phenylalanyl-, and valyl-tRNA species showed no qualitative differences in the elution profiles. However, leucyl-, lysyl- and valyl-tRNA species showed quantitative differences in the relative amounts of the isoaccepting species present in chloroplasts and etioplasts. The analysis of modified nucleotides of total tRNAs from the two plastid types indicated that total tRNA from etioplasts was undermodified with respect to ribothymidine, isopentenyladenosine/hydroxy-isopentenyladenosine, 1-methylguanosine and 2-o-methylguanosine. This indicates that illumination may cause de novo synthesis of chloroplast tRNA-modifying enzymes encoded for by nuclear genes leading to the formation of highly modified tRNAs in chloroplasts. Based on these results, we speculate that the observed decrease in levels of aminoacylation, variations in the relative amounts of certain isoacceptors, and differences in the electrophoretic mobilities of some extra tRNA spots in the etioplast total tRNAs as compared to chloroplast total tRNAs could be due to some partially undermodified etioplast tRNAs. Taken together, the data suggested that the light-induced transformation of etioplasts into chloroplasts is accompanied by increases in the relative levels of some functional chloroplast tRNAs by post transcriptional nucleotide modifications.

Nonneutral network and the role of bargaining power in side payments

Representatives of several Internet access providers have expressed their wish to see a substantial change in the pricing policies of the Internet. In particular, they would like to see content providers pay for use of the network, given the large amount of resources they use. This would be in clear violation of the �network neutrality� principle that had characterized the development of the wireline Internet. Our first goal in this paper is to propose and study possible ways of implementing such payments and of regulating their amount. We introduce a model that includes the internaut�s behavior, the utilities of the ISP and of the content providers, and the monetary flow that involves the internauts, the ISP and content provider, and in particular, the content provider�s revenues from advertisements. We consider various game models and study the resulting equilibrium; they are all combinations of a noncooperative game (in which the service and content providers determine how much they will charge the internauts) with a cooperative one - the content provider and the service provider bargain with each other over payments to one another. We include in our model a possible asymmetric bargaining power which is represented by a parameter (that varies between zero to one). We then extend our model to study the case of several content providers. We also provide a very brief study of the equilibria that arise when one of the content providers enters into an exclusive contract with the ISP.

A new approach to the design of electronic exchanges

Electronic Exchanges are double-sided marketplaces that allows multiple buyers to trade with multiple sellers, with aggregation of demand and supply across the bids to maximize the revenue in the market. In this paper, we propose a new design approach for an one-shot exchange that collects bids from buyers and sellers and clears the market at the end of the bidding period. The main principle of the approach is to decouple the allocation from pricing. It is well known that it is impossible for an exchange with voluntary participation to be efficient and budget-balanced. Budget-balance is a mandatory requirement for an exchange to operate in profit. Our approach is to allocate the trade to maximize the reported values of the agents. The pricing is posed as payoff determination problem that distributes the total payoff fairly to all agents with budget-balance imposed as a constraint. We devise an arbitration scheme by axiomatic approach to solve the payoff determination problem using the added-value concept of game theory.

Electrical transport and magnetic properties of La0.5Ca0.5MnO3-y with varying oxygen content

We report the tuning of oxygen content of La0.5Ca0.5MnO3-y and its effect on electrical transport and magnetic properties. A small reduction of oxygen content leads to a decrease in sample resistivity, which is more dramatic at low temperatures. No significant change is seen to occur in the magnetic properties for this case. Further reduction in the oxygen content increases the resistivity remarkably, as compared to the as-prepared sample. The amplitude of the ferromagnetic (FM) transition at 225 K decreases, and the antiferromagnetic (AFM) transition at 130 K disappears. For samples with y=0.17, insulator-metal transition and paramagnetic-ferromagnetic transition occur around 167 K. The results are explained in terms of the effect of oxygen vacancies on the coexistence of the metallic FM phase and the insulating charge ordered AFM phase.

Insulator-metal transition and magnetoresistance of La0.5Ca0.5MnOy induced by tuning the oxygen content

The oxygen content of La0.5Ca0.5MnOy was tuned by annealing the samples at high temperatures in flowing nitrogen with graphite powder nearby. The reduction of oxygen content has dramatic effect on the electrical transport and magnetic properties. The samples with y=2.983, 2.83, and 2.803 show an insulator-metal transition, and an unusual temperature and magnetic-field dependence of the magnetoresistance. The paramagnetic-ferromagnetic transition also shifts to lower temperatures and the antiferromagnetic transition at lower temperature is suppressed. The results are discussed in terms of the effect of oxygen vacancies on the various properties of La0.5Ca0.5MnOy. (C) 2002 American Institute of Physics.