Rational design and selection of bivalent peptide ligands of thrombin incorporating P4-P1 tetrapeptide sequences: from good substrates to potent inhibitors

The tetrapeptide Phe-Asn-Pro-Arg is a structurally optimized sequence for binding to the active site of thrombin. By conjugating this tetrapeptide or some variants to a C-terminal fragment of hirudin, we were able to generate a series of new bivalent inhibitors of thrombin containing only genetically encodable natural amino acids. We found that synergistic binding to both the active site and an exosite of thrombin can be enhanced through substitutions of amino acid residues at the P3 and P3' sites of the active-site directed sequence, Phe(P4)-Xaa(P3)-Pro(P2)-Arg(P1)-Pro(P1')-Gln(P2')-Yaa(P3'). Complementary to rational design, a phage library was constructed to explore further the residue requirements at the P4, P3 and P3' sites for bivalent and optimized two-site binding. Very significantly, panning of the phage library has led to thrombin-inhibitory peptides possessing strong anti-clotting activities in the low nanomolar range and yet interfering only partially the catalytic active site of thrombin. Modes of action of the newly discovered bivalent inhibitors are rationalized in light of the allosteric properties of thrombin, especially the interplay between the proteolytic action and regulatory binding occurring at thrombin surfaces remote from the catalytic active site.     

Syntheses and properties of B-C-N and BN nanostructures

The current status of research on boron-carbon-nitrogen (B-C-N) and boron nitride (BN) nanotubes is presented. The latest achievements in syntheses, analyses and property measurements of these nanoscale tubular architectures are reviewed. The characteristic features of B-C-N and BN nanotubes, compared with conventional C nanotubes, are paid special attention. In particular, the latest breakthroughs in the chemical vapour deposition synthesis of BN nanotubes and an insight into their unique structures are highlighted. A wide range of potential applications is also envisaged, based on the recent progress, which includes pioneering results in BN nanocable fabrication, gas adsorption, electron transport and field emission measurements.     

Fast similarity join for multi-dimensional data

The efficient processing of multidimensional similarity joins is important for a large class of applications. The dimensionality of the data for these applications ranges from low to high. Most existing methods have focused on the execution of high-dimensional joins over large amounts of disk-based data. The increasing sizes of main memory available on current computers, and the need for efficient processing of spatial joins suggest that spatial joins for a large class of problems can be processed in main memory. In this paper, we develop two new in-memory spatial join algorithms, the Grid-join and EGO*-join, and study their performance. Through evaluation, we explore the domain of applicability of each approach and provide recommendations for the choice of a join algorithm depending upon the dimensionality of the data as well as the expected selectivity of the join. We show that the two new proposed join techniques substantially outperform the state-of-the-art join algorithm, the EGO-join.     

In Planta Response of Arabidopsis to Photothermal Impact Mediated by Gold Nanoparticles

Biological responses to photothermal effects of gold nanoparticles (GNPs) have been demonstrated and employed for various applications in diverse systems except for one important class – plants. Here, the uptake of GNPs through Arabidopsis thaliana roots and translocation to leaves are reported. Successful plasmonic nanobubble generation and acoustic signal detection in planta is demonstrated. Furthermore, Arabidopsis leaves harboring GNPs and exposed to continuous laser or noncoherent light show elevated temperatures across the leaf surface and induced expression of heat‐shock regulated genes. Overall, these results demonstrate that Arabidopsis can readily take up GNPs through the roots and translocate the particles to leaf tissues. Once within leaves, GNPs can act as photothermal agents for on‐demand remote activation of localized biological processes in plants.     

Virus Matryoshka: A Bacteriophage Particle—Guided Molecular Assembly Approach to a Monodisperse Model of the Immature Human Immunodeficiency Virus

Immature human immunodeficiency virus type 1 (HIV‐1) is approximately spherical, but is constructed from a hexagonal lattice of the Gag protein. As a hexagonal lattice is necessarily flat, the local symmetry cannot be maintained throughout the structure. This geometrical frustration presumably results in bending stress. In natural particles, the stress is relieved by incorporation of packing defects, but the magnitude of this stress and its significance for the particles is not known. In order to control this stress, we have now assembled the Gag protein on a quasi‐spherical template derived from bacteriophage P22. This template is monodisperse in size and electron‐transparent, enabling the use of cryo‐electron microscopy in structural studies. These templated assemblies are far less polydisperse than any previously described virus‐like particles (and, while constructed according to the same lattice as natural particles, contain almost no packing defects). This system gives us the ability to study the relationship between packing defects, curvature and elastic energy, and thermodynamic stability. As Gag is bound to the P22 template by single‐stranded DNA, treatment of the particles with DNase enabled us to determine the intrinsic radius of curvature of a Gag lattice, unconstrained by DNA or a template. We found that this intrinsic radius is far larger than that of a virion or P22‐templated particle. We conclude that Gag is under elastic strain in a particle; this has important implications for the kinetics of shell growth, the stability of the shell, and the type of defects it will assume as it grows.     

Impact of traffic localization on communication rates in ad-hoc networks

The effect of traffic distribution on communication rates and receiver complexity in ad-hoc networks is addressed, considering a network with constant density of users and a certain traffic model. Information theoretic upper bounds on communication rates are derived under an assumption that transmitting nodes as well as receiving nodes cooperate. It is shown that for the case of large signal attenuation the bounds hold even when the cooperation among users is limited to a certain region of the network domain. Furthermore, achievability bounds on communication rates are derived. The bounds rely on two proposed local cooperation strategies. A comparison shows that the upper bounds are tight and closely follow the achievability results. Finally, the impact of traffic localization on the receiver complexity is addressed.     

APPLICATION OF EXTRACTION AND ION EXCHANGE CHROMATOGRAPHIC TECHNIQUES FOR THE SEPARATION OF METAL ION MIXTURES: PROBLEMS AND PERSPECTIVES

ABSTRACT

This paper describes new perspectives for the development and wider application of extraction and ion-exchange chromatography for separation of metal ion mixtures. The stabilization of extraction chromatographic materials by different techniques, the evaluation of changes in the behaviour of immobilized reagents (extractants or water-soluble ligands) as compared to those in their “free” state, and the combination of extraction and ion-exchange within one fractionation technique are considered and discussed along with some related problems.     

Development of novel metallic glass/polymer composite materials by microwave heating in a separated H-field

Using a single mode 915 MHz applicator, we fabricate novel Cu₅₀Zr₄₅Al₅ metallic glass/polyphenylene sulfide (PPS) composites with high relative densities by microwave processing the constituents in a separated H-field with an applied pressure of about 5 MPa. The heating behaviors and structural changes of the composites have been investigated. A good bonding state between metallic glassy and PPS particles is found. The gradient structure is also induced by microwave heating of the composites with a high fraction of PPS phase.     

Thermodynamic calculation of phase equilibria of the Bi-Sn-Zn system

A thermodynamic assessment of the Bi-Sn-Zn ternary system was carried out by considering the experimental data including the phase equilibria and thermodynamic properties on the basis of the CALPHAD method. A set of optimized thermodynamic parameters has been obtained, which leads to a very good fit between calculation and experiments. In particular, the thermodynamic calculations in the Sn-rich portion are presented in view of the recent progress in Pb-free solder alloys.     

Low-energy electron elastic scattering cross sections for excited Au and Pt atoms

Electron elastic total cross sections (TCSs) and differential cross sections (DCSs) in both impact energy and scattering angle for the excited Au and Pt atoms are calculated in the electron impact energy range 0 ? E ? 4.0 eV. The cross sections are found to be characterized by very sharp long-lived resonances whose positions are identified with the binding energies of the excited anions formed during the collisions. The recent novel Regge-pole methodology wherein is embedded through the Mulholland formula the electron-electron correlations is used together with a Thomas-Fermi type potential incorporating the crucial core-polarization interaction for the calculations of the TCSs. The DCSs are evaluated using a partial wave expansion. The Ramsauer-Townsend minima, the shape resonances and the binding energies of the excited Au⁻ and Pt⁻ anions are extracted from the cross sections, while the critical minima are determined from the DCSs.