Electrochemical studies of octadecanethiol and octanethiol films on variable surface area mercury sessile drops

Octadecanethiol (ODT) and octanethiol (OT) films at the mercury-electrolyte interface are examined using cyclic voltammetry and differential capacitance measurements at a single frequency. A mercury flow-system is used to alter the volume, and therefore, the surface area and surface pressure of the mercury electrode. Manipulation of the mercury electrode's volume enables the introduction and removal of defects in the insulating thiol films. OT and ODT film behavior are contrasted under conditions of expansion and contraction. ODT forms extremely impermeable layers that allow 1000 time less redox probe current than seen on uncoated drops. Expansion of the mercury electrode to increase the electrode surface area produces defects and pinholes in the thiol film. These defects are almost completely removed when the drop is compressed back to its initial surface area. OT also forms insulating films on mercury sessile drops, however these films contain more defects than ODT films. While expansion of an OT-coated mercury drop increases redox probe current, recompression of the drop does not return the film to its initial condition. Pinholes and defects in the OT and ODT films can also be produced by cycling to negative potentials, which produce abrupt stripping peaks.     

Online segmentation of time series based on polynomial least-squares approximations

The paper presents SwiftSeg, a novel technique for online time series segmentation and piecewise polynomial representation. The segmentation approach is based on a least-squares approximation of time series in sliding and/or growing time windows utilizing a basis of orthogonal polynomials. This allows the definition of fast update steps for the approximating polynomial, where the computational effort depends only on the degree of the approximating polynomial and not on the length of the time window. The coefficients of the orthogonal expansion of the approximating polynomial-obtained by means of the update steps-can be interpreted as optimal (in the least-squares sense) estimators for average, slope, curvature, change of curvature, etc., of the signal in the time window considered. These coefficients, as well as the approximation error, may be used in a very intuitive way to define segmentation criteria. The properties of SwiftSeg are evaluated by means of some artificial and real benchmark time series. It is compared to three different offline and online techniques to assess its accuracy and runtime. It is shown that SwiftSeg-which is suitable for many data streaming applications-offers high accuracy at very low computational costs.     

Online bin stretching with three bins

Online bin stretching is a semi-online variant of bin packing in which the algorithm has to use the same number of bins as an optimal packing, but is allowed to slightly overpack the bins. The goal is to minimize the amount of overpacking, i.e., the maximum size packed into any bin. We give an algorithm for online bin stretching with a stretching factor of \(11/8 = 1.375\) for three bins. Additionally, we present a lower bound of \(45/33 = 1.\overline{36}\) for online bin stretching on three bins and a lower bound of 19/14 for four and five bins that were discovered using a computer search.     

Stepwise dissection and visualization of the catalytic mechanism of haloalkane dehalogenase LinB using molecular dynamics simulations and computer graphics

The different steps of the dehalogenation reaction carried out by LinB on three different substrates have been characterized using a combination of quantum mechanical calculations and molecular dynamics simulations. This has allowed us to obtain information in atomic detail about each step of the reaction mechanism, that is, substrate entrance and achievement of the near-attack conformation, transition state stabilization within the active site, halide stabilization, water molecule activation and subsequent hydrolytic attack on the ester intermediate with formation of alcohol, and finally product release. Importantly, no bias or external forces were applied during the whole procedure so that both intermediates and products were completely free to sample configuration space in order to adapt to the plasticity of the active site and/or search for an exit. Differences in substrate reactivity were found to be correlated with the ease of adopting the near-attack conformation and two different exit pathways were found for product release that do not interfere with substrate entrance. Additional support for the different entry and exit pathways was independently obtained from an examination of the enzyme's normal modes.     

Variable narrowband transmission filters with a wide rejection band for spectrometry

Variable narrowband transmission filters are useful for the development of compact spectrometers. For this purpose the filter should be directly coupled to the detector and the wavelength of the transmission peak should move in one surface direction over a length of a few millimeters. To obtain both a wide measurement spectrum and high accuracy, the ratio of extreme operating wavelengths is required to be greater than 2:1 and the width of the transmission band narrower than 10 nm. A metal-dielectric variable transmission filter, with an operating range of 400-1000 nm, is proposed. The method for obtaining variable transmission filters, with dimensions of a few millimeters, is described.     

On the existence of chaos in the electronically adjustable structures of the state variable filters

As demonstrated in the paper, chaotic motion can appear in state variable filters, that is, common network structures dedicated for analog signal processing. In particular, two Kerwin–Huelsman–Newcomb biquadratic filtering sections are considered for theoretical, numerical and experimental analysis. Mathematical models are designed, and conditions for evolution of typical strange attractors are provided. The corresponding largest Lyapunov exponent is calculated and visualized as a function of internal system parameters and the shape of input harmonic waveform. Mutual connection between the mathematical model and the real lumped electronic circuit is discussed in detail. Copyright © 2016 John Wiley & Sons, Ltd.     

Detection of bubbles as concentric circular arrangements

The paper proposes a method for the detection of bubble-like transparent objects in a liquid. The detection problem is non-trivial since bubble appearance varies considerably due to different lighting conditions causing contrast reversal and multiple interreflections. We formulate the problem as the detection of concentric circular arrangements (CCA). The CCAs are recovered in a hypothesize-optimize-verify framework. The hypothesis generation is based on sampling from the partially linked components of the non-maximum suppressed responses of oriented ridge filters, and is followed by the CCA parameter estimation. Parameter optimization is carried out by minimizing a novel cost-function. The performance was tested on gas dispersion images of pulp suspension and oil dispersion images. The mean error of gas/oil volume estimation was used as a performance criterion due to the fact that the main goal of the applications driving the research was the bubble volume estimation. The method achieved 28 and 13 % of gas and oil volume estimation errors correspondingly outperforming the OpenCV Circular Hough Transform in both cases and the WaldBoost detector in gas volume estimation.