Visualization of time-dependent data with feature tracking and event detection

This paper presents an innovative method to analyze and visualize time-dependent evolution of features. The analysis and visualization of time-dependent data are complicated because of the immense number of data involved. However, if the scientist's main interest is the evolution of certain features, it suffices to show the evolution of these features. The task of the visualization method is to extract the features from all frames, to determine the correspondences between features in successive frames, to detect significant events or stages in the evolution of the features, and, finally, to visualize the results. The method described here performs all these steps, and it is applied to a number of applications.     

Orbiting Self-Organization of Filament-Tethered Surface-Active Droplets

Dissipative chemical systems hold the potential to enable life-like behavior in synthetic matter, such as self-organization, motility, and dynamic switching between different states. Here, out-of-equilibrium self-organization is demonstrated by interconnected source and drain droplets at an air-water interface, which display dynamic behavior due to a hydrolysis reaction that generates a concentration gradient around the drain droplets. This concentration gradient interferes with the adhesion of self-assembled amphiphile filaments that grow from a source droplet. The chemical gradient sustains a unique orbiting of the drain droplet, which is proposed to be driven by the selective adhesion of the filaments to the front of the moving droplet, while filaments approaching from behind are destabilized upon contact with the hydrolysis product in the trail of the droplet. Potential applications are foreseen in the transfer of chemical signals amongst communicating droplets in rearranging networks, and the implementation of chemical reactions to drive complex positioning routines in life-like systems.     

Tuning the framework polarity in MFI membranes by deboronation: Effect on mass transport

The polarity of a zeolite is an important parameter determining the transport and separation properties in zeolite packed beds and membranes. This study focuses on the systematic variation of the zeolite polarity for membrane applications by varying the amount of silanol groups within the framework of the MFI zeolite by deboronation and consecutive heat treatment from 9 to 4 silanol groups per unit cell. The decrease in the number of silanol groups after heat treatment is confirmed by diffuse reflection infrared Fourier transform (DRIFT) and ²⁹Si Magic Angle Spinning Nuclear Magnetic Resonance (MAS NMR). The permeation of pure water through the modified silicalite membranes is insensitive to the number of silanol groups, attributed to a decreased adsorption compensated by an increased diffusivity. The ethanol selectivity in water/ethanol mixtures shows an increase with decreasing amount of silanol groups. Residual boron in the zeolite may react with ethanol and decrease its adsorption capacity. A reduction in flux through the debronated MFI membranes was not observed after ethanol/water permeation.     

Changed isoflavone Levels in Red Clover (<Emphasis Type="Italic">Trifolium pratense</Emphasis> L.) Leaves with Disturbed Root Nodulation in Response to Waterlogging

The effect of disturbed root nodulation on the quantitative and qualitative composition of the main isoflavonoid glucoside–malonates, glucosides, and aglycones in the leaves of Trifolium pratense L. grown under waterlogging conditions was investigated. Isoflavonoids are involved in the regulation of root nodule activity and the establishment of the mycorrhizal association. Isoflavonoid determination was performed using reversed-phase liquid chromatography coupled to mass spectrometric and UV absorbance detection. In response to waterlogging, the concentrations of biochanin A and biochanin A–7-O-glucoside–malonate, biochanin A–7-O-glucoside, and genistein–7-O-glucoside in the leaves increased two- to threefold after a lag period of 3 wk because of disturbed root nodulation. The other isoflavones detected—formononetin, formononetin–7-O-glucoside–malonate, and formononetin–7-O-glucoside—did not show any significant changes related to waterlogging. After restoring normal soil water conditions, the concentrations of biochanin A and its glucoside and glucoside–malonate rapidly returned to the initial values, whereas the concentration of genistein–7-O-glucoside remained high.     

Alumina supported manganese oxides for the low-temperature selective catalytic reduction of nitric oxide with ammonia

Alumina supported manganese oxides exhibit a high and selective activity for the catalytic reduction of nitric oxide with ammonia (SCR) between 385 and 575 K. Samples with 3–15 wt.-% manganese were studied at space velocities between 22 000–116 000 h⁻¹ and at standard conditions of 500 ppm NO, 550 ppm NH₃ and 2% O₂. Manganese acetate results in a better dispersion of the manganese oxide on the support and a higher specific catalyst activity than manganese nitrate as precursor, for which crystalline structures could be detected. Temperature-programmed reduction revealed that acetate yields Mn₂O₃ and nitrate mainly MnO₂ on the γ-alumina support. The nitric oxide conversion per amount of manganese is fairly independent of the loading for the catalysts prepared from each precursor. The use of ¹⁵NH₃ reveals that it reacts in a 1:1 molar ratio with nitric oxide towards ¹⁵NN and/or ¹⁵NNO. The SCR activity (to nitrogen) is strongly dependent on the oxygen partial pressure, whereas water inhibits reversibly. Lattice oxygen of the catalyst is not able to maintain the SCR reaction in the absence of oxygen. The nitrous oxide formation is independent of the oxygen partial pressure, but increases with increasing manganese loading and with temperature, resulting in lower selectivities for nitrogen formation. The nitrogen and nitrous oxide formation probably occur at different sites. Above 525 K ¹⁵NH₃ oxidation occurs, yielding mainly ¹⁵N₂O and ¹⁵NO, depending on the temperature. The nitrous oxide is not further reduced by ammonia over this type of catalyst. The addition of tungsten to the catalyst increases the selectivity for nitrogen considerably. The stability of the ex-acetate catalyst is good, for at least 600 h the activity remained constant. The catalysts are sensitive towards sulphur dioxide, the ex-acetate catalysts the least, due to the strong interaction with the alumina support, as is revealed by TPR.     

Efficient Monte Carlo based scatter artifact reduction in cone-beam micro-CT

Cupping and streak artifacts caused by the detection of scattered photons may severely degrade the quantitative accuracy of cone-beam X-ray computed tomography (CT) images. In order to overcome this problem, we propose and validate the following iterative scatter artifact reduction scheme. First, an initial image is reconstructed from the scatter-contaminated projections. Next, the scatter component of the projections is estimated from the initial reconstruction by a Monte Carlo (MC) simulation. The estimate obtained is then utilized during the reconstruction of a scatter-corrected image. The last two steps are repeated until an adequate correction is obtained. The estimation of the noise-free scatter projections in this scheme is accelerated in the following way: first, a rapid (i.e., based on a low number of simulated photon tracks) MC simulation is executed. The noisy result of this simulation is de-noised by a three-dimensional fitting of Gaussian basis functions. We demonstrate that, compared to plain MC, this method shortens the required simulation time by three to four orders of magnitude. Using simulated projections of a small animal phantom, we show that one cycle of the scatter correction scheme is sufficient to produce reconstructed images that barely differ from the reconstructions of scatter-free projections. The reconstructions of data acquired with a charge-coupled device based micro-CT scanner demonstrate a nearly complete removal of the scatter-induced cupping artifact. Quantitative errors in a water phantom are reduced from around 12% for reconstructions without the scatter correction to 1% after the proposed scatter correction has been applied. In conclusion, a general, accurate, and efficient scatter correction algorithm is developed that requires no mechanical modifications of the scanning equipment and results in only a moderate increase in the total reconstruction time.     

Quenched phosphorescence as a detection method in capillary electrophoretic chiral separations. Monitoring the stereoselective biodegradation of camphorquinone by yeast

Quenched phosphorescence detection of camphorquinone in cyclodextrin-based electrokinetic chromatography provides very favorable detection limits, i.e., 7 x 10(-)(7) M, 3 orders of magnitude lower than conventional UV absorption detection at 200 nm. The detection is based on the dynamic quenching by the analyte of the strong phosphorescence emission of brominated naphthalenesulfonate, under deoxygenated buffer solution conditions. This approach has been used to detect (1S)-(+)- and (1R)-(-)-camphorquinone after enantiomeric separation by CE. Although the use of the negatively charged carboxymethyl beta-cyclodextrin (CM-beta-CD) alone was not successful, the addition of a second, neutral cyclodextrin, alpha-CD, provided an adequate enantiomeric separation of camphorquinone. Using 25 mM borate buffer (pH 8.5) with 10 mM CM-beta-CD and 20 mM alpha-CD (applied voltage 20 kV, ambient temperature), the enantiomeric separation was performed in approximately 14 min. The chiral method was applied to monitor the stereoselectivity of the biotransformation of a racemic mixture of camphorquinone by yeast. It was found that the enantiomeric ratio calculated from the peak areas in the electropherogram (RSD = 5%) after 24 h of incubation decreased from 0.92 for the control solution (culture medium without yeast) to 0.24 for the culture medium; a similar ratio of 0.25 was observed for cell extract solutions. Therefore, racemic camphorquinone is enantioselectively degraded by yeast, the biodegradation of (1S)-(+)-camphorquinone being faster than that of the (1R)-(-)-enantiomer.     

Noninvasive detection of concealed explosives: depth profiling through opaque plastics by time-resolved Raman spectroscopy

The detection of explosives concealed behind opaque, diffusely scattering materials is a challenge that requires noninvasive analytical techniques for identification without having to manipulate the package. In this context, this study focuses on the application of time-resolved Raman spectroscopy (TRRS) with a picosecond pulsed laser and an intensified charge-coupled device (ICCD) detector for the noninvasive identification of explosive materials through several millimeters of opaque polymers or plastic packaging materials. By means of a short (250 ps) gate which can be delayed several hundred picoseconds after the laser pulse, the ICCD detector allows for the temporal discrimination between photons from the surface of a sample and those from deeper layers. TRRS was applied for the detection of the two main isomers of dinitrotoluene, 2,4-dinitrotoluene, and 2,6-dinitrotoluene as well as for various other components of explosive mixtures, including akardite II, diphenylamine, and ethyl centralite. Spectra were obtained through different diffuse scattering white polymer materials: polytetrafluoroethylene (PTFE), polyoxymethylene (POM), and polyethylene (PE). Common packaging materials of various thicknesses were also selected, including polystyrene (PS) and polyvinyl chloride (PVC). With the demonstration of the ability to detect concealed, explosives-related compounds through an opaque first layer, this study may have important applications in the security and forensic fields.