Tuning the electrical conductivity of nanotube-encapsulated metallocene wires

We analyze a new family of carbon nanotube-based molecular wires, formed by encapsulating metallocene molecules inside the nanotubes. Our simulations, which are based on a combination of nonequilibrium Green function techniques and density functional theory, indicate that these wires can be engineered to exhibit desirable magnetotransport effects for use in spintronics devices. The proposed structures should also be resilient to room-temperature fluctuations, and are expected to have a high yield.     

Spatiotemporal dynamics of wormlike micelles under shear

Velocity profiles in a wormlike micelle solution (cetyl trimethyl ammonium bromide in D2O) are recorded using ultrasound every 2 s during a startup experiment into the shear-banding regime. The stress relaxation occurs over more than 6 h and corresponds to the very slow nucleation and growth of the high-shear band. Moreover, oscillations of the interface position with a period of about 50 s are observed during the growth process. Strong wall slip, metastable states, and transient nucleation of three-band flows are also reported and discussed in light of previous experiments and theoretical models.     

Inhibition of the reduction of Cr(VI) at the magnetite–water interface by calcium carbonate coatings

The effect of calcium carbonate coatings on the reduction of aqueous chromate on the magnetite(1 1 1) surface has been investigated using a combination of synchrotron based X-ray photoemission spectroscopy (PES) and X-ray absorption near edge structure (XANES) spectroscopy, along with laboratory-based powder X-ray diffraction (XRD) and scanning electron microscopy (SEM). CaCO₃ coatings (dominantly calcite with minor quantities of aragonite and vaterite) of thicknesses ranging from 10 Å to 20 m were grown on magnetite(1 1 1) surfaces by exposure to supersaturated aqueous solutions followed by evaporation of the solution—a process that mimics pore-water evaporation in vadose zones leading to the formation of caliche and calcium carbonate coatings on mineral grains. Coating thicknesses were determined from attenuation of the Fe 2p photoemission signal by the carbonate coating. For coatings less than 15 Å thick, Cr 2p photoemission and Cr L_II, L_III-edge XANES spectra show that chromate is reduced by the underlying magnetite surface; however, as the minimum coating thickness increases beyond 15 Å, the magnetite surface becomes passivated and further chromate reduction ceases. Our findings suggest that carbonate coatings on natural magnetite grains can significantly reduce or eliminate their ability to reduce Cr(VI), which is a toxic and highly mobile environmental contaminant.     

Programmed discrimination of qbits with added classical information

We investigate some properties of programmed quantum-state discriminators with simple programs. Bergou et al. [Phys. Rev. A 73, 062334 (2006)] have considered programmable devices which are supplied with two distinct but unknown program qbits and one data qbit which is certain to be identical to one or other of the program qbits. The task is to discriminate between the first and the second possibility. In this paper, we consider this state-discrimination problem when there is some additional classical information available. We find that in the minimum error discrimination mode, the probability of correct discrimination is increased by each type of classical information. The same is broadly true of unambiguous discrimination, with the chance of success improving when the overlap between the program qbits is reduced.     

A moving zone of quiet for narrowband noise in a one-dimensional duct using virtual sensing

A frequent problem in active noise control is that the zone of quiet created at the error sensor tends to be very small. This means that the error sensor generally needs to be located close to an observer's ear, which might not always be a convenient or feasible solution. Virtual sensing is a method that can move the zone of quiet away from the error sensor to a desired location that is spatially fixed. This method has been investigated previously, and has shown potential to improve the performance of an active noise control system. However, it is very likely that the desired location of the zone of quiet is not spatially fixed. An active noise control system incorporating a virtual sensing method thus has to be able to create a moving zone of quiet that tracks the observer's ears. This paper presents a method for creating a moving zone of quiet based on the LMS virtual microphone technique. To illustrate the proposed method, it is implemented in an acoustic duct and narrowband control results are presented. These results show that a moving zone of quiet was effectively created inside the duct for narrowband noise.     

The Reaction of Synechocystis Catalase–Peroxidase (KatG) with Isoniazid Investigated by Multifrequency (9–285 GHz) EPR Spectroscopy

Three distinct electron paramagnetic resonance (EPR) spectra of radical intermediates formed as reactive intermediates in the catalytic cycle of Synechocystis catalase–peroxidase were identified. Multifrequency EPR spectroscopy, combined with site-directed mutagenesis and selective deuterium labeling of Trp and Tyr residues, allowed us to unequivocally assign such intermediates to an [Fe(IV) = O Por ^·+] species, the first committed intermediate in monofunctional peroxidases and two protein-based radicals, identified as Trp106 ^· and a Tyr ^· , formed subsequently to the [Fe(IV) = O Por ^·+] species by intramolecular electron transfer. Our recent characterization of the Mycobacterium tuberculosis catalase–peroxidase showed that the Trp ^· sites differ among these enzymes, and that the [Fe(IV) = O Trp ^· ] species was the reactive intermediate with the prodrug isoniazid. Accordingly, the question to address was whether the dissimilarity in the sites for the formation of the Trp ^· intermediates and in the geometry of the distal side was reflected by differences in the peroxidase-like reaction of Synechocystis and Mycobacterium tuberculosis catalase–peroxidases with the prodrug isoniazid. Our findings show that in the Synechocystis enzyme, the isoniazid substrate can get closer to the heme distal side and can react readily with the [Fe(IV) = O Por ^·+] species, at variance to the situation in the M. tuberculosis catalase–peroxidase. These results indicate that, as in the case of monofunctional peroxidases, the difference in the sites for the formation of the Trp ^· as alternative reactive intermediates to the [Fe(IV) = O Por ^·+] species is correlated to differences in substrate binding sites.     

Self-assembled alkanethiol structures on gold: A further insight into the origins of structural rearrangement phenomena

Self-assembled structures of alkanethiols that have been deposited on gold from ethanolic solutions are susceptible to both chemical and physical changes: ethanol provides a medium for the formation of S-alkyl hydrogen thiocarbonates and related compounds via reaction with dissolved, atmospheric, CO₂. Deposition from ethanolic solutions results in multilayered structures incorporating these compounds, which at room temperature are susceptible to time-dependent structural rearrangement and molecular migration.     

Filter performance parameters for vectorial high-aperture wave fields

Performance parameters have been presented that can be used to compare the focusing performance of different optical systems, including the effect of pupil filters. These were originally given for the paraxial case and recently extended to the high-aperture scalar regime. We generalize these parameters to the full vectorial case for an aplanatic optical system illuminated by a plane-polarized wave. The behavior of different optical systems is compared.     

The spherical limit forn-vector correlations

We investigate then limit of then-vector model single-spin and pairspin correlation functions. In this limit we show that the correlation functions become those of the corresponding spherical model.