In Situ Spectroscopic Detection of Large-Scale Reorientations of Transmembrane Helices During Influenza A M2 Channel Opening**

Viroporins are small ion channels in membranes of enveloped viruses that play key roles during viral life cycles. To use viroporins as drug targets against viral infection requires in-depth mechanistic understanding and, with that, methods that enable investigations under in situ conditions. Here, we apply surface-enhanced infrared absorption (SEIRA) spectroscopy to Influenza A M2 reconstituted within a solid-supported membrane, to shed light on the mechanics of its viroporin function. M2 is a paradigm of pH-activated proton channels and controls the proton flux into the viral interior during viral infection. We use SEIRA to track the large-scale reorientation of M2’s transmembrane α-helices in situ during pH-activated channel opening. We quantify this event as a helical tilt from 26° to 40° by correlating the experimental results with solid-state nuclear magnetic resonance-informed computational spectroscopy. This mechanical motion is impeded upon addition of the inhibitor rimantadine, giving a direct spectroscopic marker to test antiviral activity. The presented approach provides a spectroscopic tool to quantify large-scale structural changes and to track the function and inhibition of the growing number of viroporins from pathogenic viruses in future studies.     

New derivatization method for determination of 3-chloro-4(dichloromethyl)-5-hydroxy-2(5H)-furanone in water

An extremely potent mutagen, 3-chloro-4(dichloromethyl)-5-hydroxy-2(5H)-furanone (MX) is commonly present in chlorinated drinking water. Due to its high mutagenic activity and according to World Health Organization guidelines its concentration should be controlled in drinking waters. Determination of MX is difficult due to ppt levels at which the compound usually exists in drinking waters. Derivatization of MX with 2-propanol is presented as a method which significantly lowers the GC–MS detection level compared to other alcohol derivatization agents.     

A model of adsorption at liquid-solid interface involving association in the bulk phase

A model of monolayer adsorption of binary liquid mixtures on homogeneous and heterogeneous solid surfaces involving association of one component in the bulk phase is discussed. Suitable model calculations, illustrating association and heterogeneity effects, have been performed according to an equation derived for adsorption excess. This equation has been examined by using the experimental data of adsorption of alcohols from benzene andn-heptane on silica gel.

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Adsorptionsmodell für die Grenzfläche Feststoff-Flüssigkeit unter Berücksichtigung der Assoziation in der Flüssigkeitsphase

Zusammenfassung Es wird ein Adsorptionsmodell binärer, flüssiger Mischungen an homogenen und heterogenen Oberflächen von Feststoffen unter Beachtung der Assoziation eines der Bestandteile in der Flüssigkeitsphase diskutiert. Mit der aus dem Oberflächenüberschuß abgeleiteten Gleichung wurden entsprechende Modellberechnungen durchgeführt, die die mit Assoziation und Heterogenität verbundenen Effekte illustrieren. Die Gleichung wurde für die experimentellen Daten der Alkoholadsorption aus Benzol undn-Heptan an Kieselgel überprüft.

     

Hardy Spaces for Laguerre Expansions

Let be the standard Laguerre functions of type a. We denote . Let and be the semigroups associated with the orthonormal systems and . We say that a function f belongs to the Hardy space associated with one of the semigroups if the corresponding maximal function belongs to . We prove special atomic decompositions of the elements of the Hardy spaces.     

Stability problem for the Go?a?b-Schinzel type functional equations

Let X be a vector space over a field K of real or complex numbers, n∈N and λ∈K?{0}. We study the stability problem for the Go?a?b-Schinzel type functional equations

f(x+fn(x)y)=λf(x)f(y)     

Unified encoding for hyper-heuristics with application to bioinformatics

This paper introduces a new approach to applying hyper-heuristic algorithms to solve combinatorial problems with less effort, taking into account the modelling and algorithm construction process. We propose a unified encoding of a solution and a set of low level heuristics which are domain-independent and which change the solution itself. This approach enables us to address NP-hard problems and generate good approximate solutions in a reasonable time without a large amount of additional work required to tailor search methodologies for the problem in hand. In particular, we focused on solving DNA sequencing by hybrydization with errors, which is known to be strongly NP-hard. The approach was extensively tested by solving multiple instances of well-known combinatorial problems and compared with results generated by meta heuristics that have been tailored for specific problem domains.     

Technical diagnostic of a fleet of vehicles using rough set theory

The paper presents a process of technical diagnostic applied to a fleet of vehicles utilized in the delivery system of express mail. It is focused on evaluation of diagnostic capacity of particular characteristics, reduction of a set of initially selected characteristics to a minimal and satisfactory subset, recognition of a technical condition of vehicles resulting in their condition-based classification. In addition, the decision rules facilitating technical diagnostic and management of a fleet of vehicles are generated and utilized. N-fold cross validation is applied to estimate the efficiency of the decision rules. The rough set theory is applied to support the diagnostic process of vehicles. Classical rough set (CRS) theory is compared with the dominance-based rough set (DRS) approach. The results of computational experiments for both approaches are compared.     

Warmstarting for interior point methods applied to the long-term power planning problem

The long-term planning of electricity generation in a liberalised market using the Bloom and Gallant model can be posed as a quadratic programming (QP) problem with an exponential number of linear inequality constraints called load-matching constraints (LMCs) and several other linear non-LMCs. Direct solution methods are inefficient at handling such problems and a heuristic procedure has been devised to generate only those LMCs that are likely to be active at the optimiser. The problem is then solved as a finite succession of QP problems with an increasing, though still limited, number of LMCs, which can be solved efficiently using a direct method, as would be the case with a QP interior-point algorithm. Warm starting between successive QP solutions helps then in reducing the number of iterations necessary to reach the optimiser.     

The Matsumoto-Yor property and the structure of the Wishart distribution

This paper establishes a link between a generalized matrix Matsumoto-Yor (MY) property and the Wishart distribution. This link highlights certain conditional independence properties within blocks of the Wishart and leads to a new characterization of the Wishart distribution similar to the one recently obtained by Geiger and Heckerman but involving independences for only three pairs of block partitionings of the random matrix.In the process, we obtain two other main results. The first one is an extension of the MY independence property to random matrices of different dimensions. The second result is its converse. It extends previous characterizations of the matrix generalized inverse Gaussian and Wishart seen as a couple of distributions.We present two proofs for the generalized MY property. The first proof relies on a new version of Herz's identity for Bessel functions of matrix arguments. The second proof uses a representation of the MY property through the structure of the Wishart.     

Computational complexity of isothermic DNA sequencing by hybridization

In the paper, the computational complexity of several variants of the problem of isothermic DNA sequencing by hybridization, is analyzed. The isothermic sequencing is a recent method, in which isothermic oligonucleotide libraries are used during the hybridization with an unknown DNA fragment. The variants of the isothermic DNA sequencing problem with errors in the hybridization data, negative ones or positive ones, are proved to be strongly NP-hard. On the other hand, the polynomial time algorithm for the ideal case with no errors is proposed.