Spectroscopic studies of the metal complexes of ethylenediaminetetra-acetic acid in aqueous solution

Aqueous solutions of the metal complexes of ethylenediaminetetra-acetic acid (EDTA) are widely used in analysis; though X-ray diffraction methods cannot be directly used for structural determination in solution, ultraviolet-visible region, vibrational and NMR spectroscopy studies demonstrate that the species in solution adopt a similar range of stereochemistries to those determined for the solid state. Thus a review of the spectroscopic properties of the solutions suggests that chelates are formed in which the denticity of EDTA varies from one to six and the co-ordination number about the metal from four to nine.     

Knowledge-based interaction fingerprint scoring: a simple method for improving the effectiveness of fast scoring functions

A new method for the postprocessing of docking outputs has been developed, based on encoding putative 3D binding modes (docking solutions) as ligand-protein interactions into simple bit strings, a method analogous to the structural interaction fingerprint. Instead of employing traditional scoring functions, the method uses a series of new, knowledge-based scores derived from the similarity of the bit strings for each docking solution to that of a known reference binding mode. A GOLD docking study was carried out using the Bissantz estrogen receptor antagonist set along with the new scoring method. Superior recovery rates, with up to 2-fold enrichments, were observed when the new knowledge-based scoring was compared to the GOLD fitness score. In addition, top ranking sets of molecules (actives and potential actives or decoys) were structurally diverse with low molecular weights and structural complexities. Principal component analysis and clustering of the fingerprints permits the easy separation of active from inactive binding modes and the visualization of diverse binding modes.     

Oxoneptunium(v) as part of the framework of a polyoxometalate

(NH4)14Na4[(Np3W4O15)(H2O)3(BiW9O33)3].62H2O (1) and (NH4)14.5Na3.5[(Np3W4O15)(H2O)3(SbW9O33)3].40.5H2O (2) each contain three neptunyl(v) moieties encapsulated within heteropolyoxotungstate frameworks in which axial {NpO2}+ oxygens form one face of a WO6 octahedron.     

Dielectric elastomer switches for smart artificial muscles

Some of the most exciting possibilities for dielectric elastomer artificial muscles consist of biologically inspired networks of smart actuators working towards common goals. However, the creation of these networks will only be realised once intelligence and feedback can be fully distributed throughout an artificial muscle device. Here we show that dielectric elastomer artificial muscles can be built with intrinsic sensor, control, and driver circuitry, bringing them closer in capability to their natural analogues. This was achieved by exploiting the piezoresistive behaviour of the actuator’s highly compliant electrodes using what we have called the dielectric elastomer switch. We developed suitable switching material using carbon loaded silicone grease and experimentally demonstrated the primitives required for self-sensing actuators and digital computation, namely compliant electromechanical NAND gates and oscillator circuits. We anticipate that dielectric elastomer switches will reduce the need for bulky and rigid external circuitry as well as provide the simple distributed intelligence required for soft, biologically inspired networks of actuators. Examples include many-degree-of-freedom robotic hearts, intestines, and manipulators; wearable assistive devices; smart sensor skins and fabrics; and ultimately new types of artificial muscle embedded, electromechanical computers.     

On the Stability of Travelling Waves Arising in Nematic Liquid Crystals

Abstract

The stability of travelling waves which occur when a nematic liquid crystal is subjected to crossed electric and magnetic fields has been studied previously where conditions on a control parameter q for stability to occur have been given. This article is concerned with the behaviour of the stable perturbations as time increases. For each of the three travelling wave solutions we can determine the long-term monotonic or oscillatory behaviour of the perturbations using knowledge of the spectrum of the operator governing the perturbation equation.     

Finding thermoacoustic limit cycles for a ducted Burke-Schumann flame

This paper examines nonlinear thermoacoustic oscillations of a ducted Burke-Schumann diffusion flame. The nonlinear dynamics of the thermoacoustic system are studied using two distinct approaches. In the first approach, a continuation analysis is performed to find limit cycle amplitudes over a range of operating conditions. The strength of this approach is that one can characterize the coupled system’s nonlinear behaviour over a large parameter space with relative ease. It is not able to give physical insight into that behaviour, however. The second approach uses a Flame Describing Function (FDF) to characterize the flame’s response to harmonic velocity fluctuations over a range of forcing frequencies and forcing amplitudes, from which limit cycle amplitudes can be found. A strength of the FDF approach is that it reveals the physical mechanisms responsible for the behaviour observed. However, the calculation of the FDF is time consuming, and it must be recalculated if the flame’s operating conditions change. With the strengths and shortcomings of the two approaches in mind, this paper advocates combining the two to provide the dynamics over a large parameter space and, furthermore, physical insight into that behaviour at judiciously-chosen points in the parameter space. Further physical insight concerning the flame’s near-linear response at all forcing amplitudes is given by studying the forced flame in the time domain. It is shown that, for this flame model, the limit cycles arise because of the flame’s nonlinear behaviour when it is close to the inlet.     

Development of high resolution resonance ionization mass spectrometry for trace analysis of 93mNb

⁹³Nb(n, n′)^93mNb reaction allows retrospective estimation of integrated fast neutron dose in nuclear reactor. We proposed isomer-selective trace analysis of ^93mNb by Resonance Ionization Mass Spectrometry (RIMS) combined with a gas-jet atomic source and an injection locked Ti:Sapphire laser system operated at several kHz. Resonant ionization spectroscopy of Nb in gas-jet using Ti:Sapphire laser was demonstrated.     

On base radical and semisimple classes defined by class operators

By using class operators, we define base radical and semisimple classes, within a broad abstract setting due to Puczylowski. The new notions agree with the usual Kurosh–Amitsur ones for associative rings and groups but differ for not necessarily associative rings, in general lying strictly between the Kurosh–Amitsur and torsion theory notions. A study of the class operators for their own sake is initiated, and a connection with modal logic is made.