The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH‐like 2‐Heptyl‐3‐hydroxy‐4(1H)‐quinolone (PQS) Biosynthesis Enzyme PqsBC

Pseudomonas aeruginosa is a bacterial pathogen that causes life‐threatening infections in immunocompromised patients. It produces a large armory of saturated and mono‐unsaturated 2‐alkyl‐4(1H)‐quinolones (AQs) and AQ N‐oxides (AQNOs) that serve as signaling molecules to control the production of virulence factors and that are involved in membrane vesicle formation and iron chelation; furthermore, they also have, for example, antibiotic properties. It has been shown that the β‐ketoacyl‐acyl‐carrier protein synthase III (FabH)‐like heterodimeric enzyme PqsBC catalyzes the last step in the biosynthesis of the most abundant AQ congener, 2‐heptyl‐4(1H)‐quinolone (HHQ), by condensing octanoyl‐coenzyme A (CoA) with 2‐aminobenzoylacetate (2‐ABA), but the basis for the large number of other AQs/AQNOs produced by P. aeruginosa is not known. Here, we demonstrate that PqsBC uses different medium‐chain acyl‐CoAs to produce various saturated AQs/AQNOs and that it also biosynthesizes mono‐unsaturated congeners. Further, we determined the structures of PqsBC in four different crystal forms at 1.5 to 2.7 Å resolution. Together with a previous report, the data reveal that PqsBC adopts open, intermediate, and closed conformations that alter the shape of the acyl‐binding cavity and explain the promiscuity of PqsBC. The different conformations also allow us to propose a model for structural transitions that accompany the catalytic cycle of PqsBC that might have broader implications for other FabH‐enzymes, for which such structural transitions have been postulated but have never been observed.     

Microstructure and phase composition of cordierite-based co-clinker

The aim of this work is to study the effect of phase composition and microstructure of cordierite-based co-clinkers on the electrical properties and coefficient of thermal expansion of cordierite briquettes. To achieve this aim talc and kaolinite samples were collected from quarries in the Egyptian desert. The samples are characterized using XRD, XRF, polarized light, cathodoluminescence and SEM microscopy attached with EDAX, in addition to X-ray micro-computed tomography (3D- µXCT). The electrical properties and coefficient of thermal expansion of the cordierite briquettes are determined using HiTESTER instrument and automatic Netzsch DIL402 PC dilatometer, respectively.Five talc-based batches were shaped and fired in the temperature range 1000–1350 °C for 2 h. The microstructural and physical characteristics of the resulted cordierite-based co-clinkers depend mainly on the viscosity of the liquid phase developed during firing. The microchemistry of the cordierite briquettes confirms their enrichment of both cordierite and ferroan-cordierite crystallized directly from locally developed melts. The dielectric constant and loss factor values for cordierite briquettes allow their possible use as insulator components in electronic applications.     

A 3D moisture-stress FEM analysis for time dependent problems in timber structures

This paper presents a 3D moisture-stress numerical analysis for timber structures under variable humidity and load conditions. An orthotropic viscoelastic-mechanosorptive material model is specialized on the basis of previous models. Both the constitutive model and the equations needed to describe the moisture flow across the structure are implemented into user subroutines of the Abaqus finite element code and a coupled moisture-stress analysis is performed for several types of mechanical loads and moisture changes. The presented computational approach is validated by analyzing some wood tests described in the literature and comparing the computational results with the reported experimental data.     

Cuticular hydrocarbons of Tetramorium ants from central Europe: analysis of GC-MS data with self-organizing maps (SOM) and implications for systematics

Cuticular hydrocarbons were extracted from workers of 63 different nests of five species of Tetramorium ants (Hymenoptera: Formicidae) from Austria, Hungary, and Spain. The GC-MS data were classified (data mining) by self-organizing maps (SOM). SOM neurons derived from primary neuron separation were subjected to hierarchical SOM (HSOM) and were grouped to neuron areas on the basis of vicinity in the hexagonal output grid. While primary neuron separation and HSOM resulted in classifications on a level more sensitive than species differences, neuron areas resulted in chemical phenotypes apparently of the order of species. These chemical phenotypes have implications for systematics: while the chemical phenotypes for T. ferox and T. moravicum correspond to morphological determination, in T. caespitum and T. impurum a total of six chemical phenotypes is found. Three hypotheses are discussed to explain this disparity between morphological and chemical classifications, including in particular the possibility of hybridization and the existence of cryptic species. Overall, the GC-MS profiles classified by SOM prove to be a practical alternative to morphological determination (T. ferox, T. moravicum) and indicate the need to revisit systematics (T. caespitum, T. impurum).     

Visibility of the Aharonov–Bohm Effect in a Ring Coupled to a Fluctuating Magnetic Flux

We consider the visibility of the Aharonov–Bohm effect for cotunneling transport through a clean one-channel ring coupled to a fluctuating magnetic flux. We concentrate on the modification of the destructive interference at ₀ /2 by the fluctuating flux, since changes in the magnitude of the current away from this point can also be caused by renormalization effects and do not necessarily indicate dephasing. For fluctuations arising from the Nyquist noise in an external coil at T=0, the suppression of the destructive interference shows up only in a contribution proportional to V ³ , and therefore does not affect the linear conductance. In this sense, the Nyquist bath does not lead to dephasing in the linear transport regime at zero temperature in our model.     

Rudolf Schwarz and the speech of the land - grammar as a political device in postwar Germany

The paper examines the connection of language and urban form in the work of the German architect and urban planner Rudolf Schwarz. Schwarz, who is credited with having exerted major influence on the protagonists of modern architecture such as Mies van der Rohe, was one of the most famous architects in postwar Germany and the author of the 1950 plan for the rebuilding of Cologne's destroyed inner city. From the 1950s onwards, Cologne's once dense mediaeval nucleus was restructured by a network of six-lane thoroughfares and various sequences of scattered concrete blocks. This redesign, as radically modern as it may seem, was closely tied to Schwarz's traditionalist conception of language. His linguistic arguments were influenced by a century-long tradition among conservative German intellectuals, who strove for a deeper and unmediated understanding of the world through verbal communication. Claiming an intrinsic relationship between the structure of German grammar and of the phenomena it captures, they believed in the 'rootedness' of their nation in its geographic environment through language. In that respect, Schwarz's conception and use of language - which was in many ways exemplary for German city planners in the postwar era - laid the groundwork for the modernist transformation of the city and thus for a dilemma that haunted German urban planning in the decades that followed.     

Managing the complexity of digital terrain models

Today, the surface of our planet can be sampled extremely accurately. Also, the need for information about the topography within specified regions becomes increasingly important in geographic information systems. Meaning can often only be extracted from certain data in combination with the digital terrain models. In particular, visualization techniques and image mapping methods in geographic information systems require this kind of information. And now there are very densely sampled grids of height data available—too dense in many areas of the terrain, since most sampling techniques are nonadaptive.

We have developed algorithms to cope with the complexity of such digital terrain models. They analyze each given model and reduce the number of points while preserving the accuracy as good as possible. In our research, we compared three basic approaches and implemented methods to minimize emerging errors. This paper describes the necessary steps for reducing regularly sampled height grids or given triangular meshes to meet specified quality or quantity criteria.     

Assessment and evaluation of the radiological situation in the late phase of a nuclear accident

An overview of existing approaches on assessing and evaluating the radiological situation in the late phase of a nuclear accident is given in this paper. Special attention is paid to the weak points of existing approaches and to problems to be solved in the future. Assessment of the radiological situation can be based on both monitoring data and model predictions. Approaches have been developed for many years in both categories and have meanwhile reached some kind of maturity and also operational applicability. Nevertheless, some areas exist where significant improvements could be achieved in the near future, e.g. by combining monitoring data and model predictions, by improving the modelling of urban areas or by improving existing radioecological models.     

The implication of sensitivity analysis on the safety and delayed-neutron parameters for fast breeder reactors

The delayed-neutron energy spectra for LMFBRs are not as well known as those for LWRs. These spectra are necessary for kinetics calculations which play an important role in safety and accident analyses. A sensitivity analysis was performed to study the response of the reactor power and power density to uncertainties in the delayed-neutron spectra during a rod-ejection accident. The accidents studied were central control-rod ejections with ejection times of 2, 10 and 30s. A two-energy group and two-precursor group model was formulated for the International Nuclear Fuel Cycle Evaluation (INFCE) reference design MOX-fueled LMFBR.The sensitivity analysis is based on the use of adjoints so that it is not necessary to repeatedly solve the governing (kinetics) equations to obtain the sensitivity derivatives. This is of particular importance when large systems of equations are used.The power and power-density responses were found to be most sensitive to uncertainties in the spectrum of the second delayed-neutron precursor group, resulting from the fission of²³⁸U, producing neutrons in the first energy group. It was found, for example, that for a rod-ejection time of 30 s, an uncertainty of 7.2% in the fast components of the spectra resulted in a 24% uncertainty in the predicted power and power density. These responses were recalculated by repeatedly solving the kinetics equations. The maximum discrepancy between the recalculated and the sensitivity analysis response was only 1.6%. The results of the sensitivity analysis indicate the need for improved delayed-neutron spectral data in order to reduce the uncertainties in accident analyses.