Future trends in data mining

Over recent years data mining has been establishing itself as one of the major disciplines in computer science with growing industrial impact. Undoubtedly, research in data mining will continue and even increase over coming decades. In this article, we sketch our vision of the future of data mining. Starting from the classic definition of “data mining”, we elaborate on topics that — in our opinion — will set trends in data mining.     

Integrated FDD system for valve stiction in a paperboard machine

The performance of a modern industrial plant can be severely affected by the performance of its key devices, such as valves. In particular, valve stiction can cause poor performance in control loops and can consequently lower the efficiency of the plant and the quality of the product. This paper presents an integrated FDD system for valve stiction which employs various FDD methods in a parallel configuration. A reliability index was integrated into each method in order to estimate their degree of influence in the final diagnosis of the system. Each method and the integrated system were tested using industrial data.     

Grafting of titanium dioxide microspheres with a temperature‐responsive polymer via surface‐initiated atom transfer radical polymerization without the use of silane coupling agents

Titania microspheres with narrow size distribution and diameters of about 1 µm were prepared and subsequently functionalized using surface‐initiated atom transfer radical polymerization (ATRP) of N‐isopropylacrylamide. The ATRP initiator was immobilized on the particle surface via acylation of surface hydroxyl groups with α‐bromoisobutyryl bromide. Subsequently, an established ATRP reaction system was used for the preparation of titania surface‐grafted poly(N‐isopropylacrylamide) (PNiPAAm). Characterization was performed with electron microscopies, X‐ray diffraction, infrared spectroscopy and dynamic light scattering. It was found that the particle size in aqueous dispersions changed reversibly with temperature as expected for a shell of PNiPAAm, a polymer with a lower critical solution temperature at 32 °C. This confirmed the successful preparation of functional, stimuli‐responsive TiO₂ microparticles via a straightforward controlled surface‐initiated polymerization method.     

31P MAS NMR Spectroscopy of Hexachlorocyclotriphosphazene at Different Stages During Thermal Ring-Opening Polymerization

The basic concepts of solid-state nuclear magnetic resonance (NMR) spectroscopy are explained in a clear and concise manner. First the reader is introduced to the principles of NMR spectroscopy and techniques that are most commonly utilized today. Next, an overview of advanced magic-angle spinning (MAS) NMR experiments, which can provide valuable insight into molecular structure, connectivity, dynamics, domains, and phases of inorganic polymers, is presented. The final chapter discusses the major classes of inorganic polymers, their properties and applications. It addresses their characterization including, if any, the role of solution and solid-state NMR spectroscopy, and provides prospective on potential applications of these techniques for the given class of material.     

SAT-Solving in Practice, with a Tutorial Example from Supervisory Control

Satisfiability solving, the problem of deciding whether the variables of a propositional formula can be assigned in such a way that the formula evaluates to true, is one of the classic problems in computer science. It is of theoretical interest because it is the canonical NP-complete problem. It is of practical interest because modern SAT-solvers can be used to solve many important and practical problems. In this tutorial paper, we show briefly how such SAT-solvers are implemented, and point to some typical applications of them. Our aim is to provide sufficient information (much of it through the reference list) to kick-start researchers from new fields wishing to apply SAT-solvers to their problems. Supervisory control theory originated within the control community and is a framework for reasoning about a plant to be controlled and a specification that the closed-loop system must fulfil. This paper aims to bridge the gap between the computer science community and the control community by illustrating how SAT-based techniques can be used to solve some supervisory control related problems.     

Yellow–green organic light-emitting diode based on tris(2-methyl-8-quinolinolate) scandium

Efficient yellow–green electroluminescence emission at λ_max = 530 nm with CIE coordinates x = 0.3913, y = 0.4947 was obtained with organic light-emitting devices based on tris(2-methyl-8-quinolinolate) scandium (1). The device with the configuration of indium tin oxide/N,N′-bis(3-methylphenyl)-N,N′-diphenylbenzidine/1/Yb exhibits current efficiency of 3.1 cd/A and power efficiency of 1.8 lm/W at a luminance of 100 cd/m². The DFT calculations demonstrate that structural changes of the scandium complex 1 influence the electroluminescence spectrum, the better agreement with experimental data being achieved when monodentate ligands are taken into consideration.     

Nuclear data sensitivity/uncertainty analysis for XT-ADS

The XT-ADS, an accelerator-driven system for an experimental demonstration, has been investigated in the framework of IP EUROTRANS FP6 project. In this study, the sensitivity and uncertainty analyses were performed to comprehend the reliability of the XT-ADS neutronic design.     

Investigating the Role of Conformational Effects on Laccase Stability and Hyperactivation under Stress Conditions

Fungal laccase from Steccherinum ochraceum 1833 displays remarkable stability under different harsh conditions: organic/buffer mixtures, thermal treatment, and microwave radiation. The behavior is particularly significant in the light of the sharp inactivation observed for two different fungal laccases. Laccase from S. ochraceum 1833 also displays hyperactivation under mild thermal treatment (60 °C). Molecular dynamics simulations at 80 °C explained how this laccase retains the geometry of the electron transfer pathway, thereby assuring electron transfer through the copper ions and thus maintaining its catalytic activity at high temperature. Spectroscopic studies revealed that the thermal activation corresponds to specific conformational changes in the protein. The results indicate that this laccase is potentially applicable under denaturing conditions that might be beneficial for the biotransformation of recalcitrant substrates.     

Modulation of Aβ42 Aggregation Kinetics and Pathway by Low-Molecular-Weight Inhibitors

The aggregation of amyloid-β 42 (Aβ42) is directly related to the pathogenesis of Alzheimer's disease. Here, we have investigated the early stages of the aggregation process, during which most of the cytotoxic species are formed. Aβ42 aggregation kinetics, characterized by the quantification of Aβ42 monomer consumption, were tracked by real-time solution NMR spectroscopy (RT-NMR) allowing the impact that low-molecular-weight (LMW) inhibitors and modulators exert on the aggregation process to be analysed. Distinct differences in the Aβ42 kinetic profiles were apparent and were further investigated kinetically and structurally by using thioflavin T (ThT) and transmission electron microscopy (TEM), respectively. LMW inhibitors were shown to have a differential impact on early-state aggregation. Insight provided here could direct future therapeutic design based on kinetic profiling of the process of fibril formation.     

The effect of red pigment on the amyloidization of yeast proteins

The intensity of amyloid-bound thioflavine T fluorescence was studied in crude lysates of yeast strains carrying mutations in the ADE1 or ADE2 genes and accumulating the red pigment (a result of polymerization of aminoimidazoleribotide), and in white isogenic strains--either adenine prototrophs or carrying mutations at the first stages of purine biosynthesis. We found that the red pigment leads to a drop of amyloid content. This result, along with the data on separation of protein polymers of white and red strains in PAGE, suggests that the red pigment inhibits amyloid fibril formation. The differences in transmission of the thioflavine T fluorescence pattern by cytoduction and in blot-hybridization of pellet proteins of red and white [PSI(+) ] strains with Sup35p antibodies confirmed this conclusion. Purified red pigment treatment also led to a decrease of fluorescence intensity of thioflavine T bound to insulin fibrils and to yeast pellet protein aggregates from [PSI(+) ] strains. This suggests red pigment interaction with amyloid fibrils. Comparison of pellet proteins from red and white isogenic strains separated by 2D-electrophoresis followed by MALDI analysis has allowed us to identify 48 pigment-dependent proteins. These proteins mostly belong to functional classes of chaperones and proteins involved in glucose metabolism, closely corresponding to prion-dependent proteins that we characterized previously. Also present were some proteins involved in stress response and proteolysis. We suppose that the red pigment acts by blocking certain sites on amyloid fibrils that, in some cases, can lead in vivo to interfere with their contacts with chaperones and the generation of prion seeds.