Structures of the N-Terminal Domain of PqsA in Complex with Anthraniloyl- and 6-Fluoroanthraniloyl-AMP: Substrate Activation in Pseudomonas Quinolone Signal (PQS) Biosynthesis

Pseudomonas aeruginosa, a prevalent pathogen in nosocomial infections and a major burden in cystic fibrosis, uses three interconnected quorum-sensing systems to coordinate virulence processes. At variance with other Gram-negative bacteria, one of these systems relies on 2-alkyl-4(1H)-quinolones (Pseudomonas quinolone signal, PQS) and might hence be an attractive target for new anti-infective agents. Here we report crystal structures of the N-terminal domain of anthranilate-CoA ligase PqsA, the first enzyme of PQS biosynthesis, in complex with anthraniloyl-AMP and with 6-fluoroanthraniloyl-AMP (6FABA-AMP) at 1.4 and 1.7 Å resolution. We find that PqsA belongs to an unrecognized subfamily of anthranilate-CoA ligases that recognize the amino group of anthranilate through a water-mediated hydrogen bond. The complex with 6FABA-AMP explains why 6FABA, an inhibitor of PQS biosynthesis, is a good substrate of PqsA. Together, our data might pave a way to new pathoblockers in P. aeruginosa infections.     

Growth of Single‐Walled Carbon Nanotubes from Sharp Metal Tips

The nucleation and growth of single‐walled carbon nanotubes is observed in situ in a transmission electron microscope. Carbon atoms are implanted into catalytically active metal particles by electron‐beam sputtering. The metal particles are then shaped with a focused electron beam. Once the particles have a region of high surface curvature, spontaneous nucleation and growth of single‐walled carbon nanotubes occurs on the metal particles. It is shown that the local solubility of carbon in the metal determines the nucleation of nanotubes. This is confirmed by atomistic computer simulations treating the solubility of carbon in a metal particle as a function of the size of the system.     

The interaction of bacteria and metal surfaces

This review discusses different examples for the interaction of bacteria and metal surfaces based on work reported previously by various authors and work performed by the author with colleagues at other institutions and with his graduate students at CEEL. Traditionally it has been assumed that the interaction of bacteria with metal surfaces always causes increased corrosion rates (“microbiologically influenced corrosion” (MIC)). However, more recently it has been observed that many bacteria can reduce corrosion rates of different metals and alloys in many corrosive environments. For example, it has been found that certain strains of Shewanella can prevent pitting of Al 2024 in artificial seawater, tarnishing of brass and rusting of mild steel. It has been observed that corrosion started again when the biofilm was killed by adding antibiotics. The mechanism of corrosion protection seems to be different for different bacteria since it has been found that the corrosion potential E_corr became more negative in the presence of Shewanella ana and algae, but more positive in the presence of Bacillus subtilis. These findings have been used in an initial study of the bacterial battery in which Shewanella oneidensis MR-1 was added to a cell containing Al 2024 and Cu in a growth medium. It was found that the power output of this cell continuously increased with time. In the microbial fuel cell (MFC) bacteria oxidize the fuel and transfer electrons directly to the anode. In initial studies EIS has been used to characterize the anode, cathode and membrane properties for different operating conditions of a MFC that contained Shewanella oneidensis MR-1. Cell voltage (V)—current density (i) curves were obtained using potentiodynamic sweeps. The current output of a MFC has been monitored for different experimental conditions.     

Long term stability of electrocaloric response in barium zirconate titanate

The stability of the electrocaloric effect under electric field cycling is an important consideration in the development of solid-state cooling devices. Here we report measurements carried out on Ba(Zr_0.2Ti_0.8)O₃ ceramics which reveal that the adiabatic temperature change, polarization-electric field hysteresis loops and dielectric permittivity/loss show stable behavior up to 10⁵ cycles. We further demonstrate that the loss in electrocaloric response observed after 10⁵ cycles is associated with the migration of oxygen vacancies. As a result, the electrical properties of the material are changed leading to an increase in leakage current and Joule heating. Reversing the polarity of the electric field after every 10⁵ cycles changes the migration direction of oxygen vacancies, thereby preventing charge accumulation at grain boundaries and electrodes. By doing so, the electrocaloric stability is improved and the adiabatic temperature remains constant even after 10⁶ cycles, much higher than achieved in commercially available barium titanate ceramics.     

添加碳纳米管对选区激光熔化AlSi10Mg合金缺陷的影响

利用选区激光熔化成形技术制备了纯AlSi10Mg合金及碳纳米管(carbon nanotubes,CNTs)-AlSi10Mg复合材料。当添加CNTs含量为0.05%(质量分数)时具有一定增强效果,但随着CNTs添加量增大,复合材料性能却因为缺陷的增加而明显下降。木实验利用纳米CT技术对纯合金及CNTs(0.5%)-AlSi10Mg复合材料进行缺陷的三维重构。结果表明,添加0.5%的CNTs后,成形缺陷体积所占比例由12%增加至46%;气孔型缺陷数量明显增加,并且等效直径相对较大。CNTs在粉体中的团聚及对气体的吸附作用是两种类型缺陷增加的根本原因。     

Dyadic drumming across the lifespan reveals a zone of proximal development in children.

Many social interactions require the synchronization—be it automatically or intentionally—of one's own behavior with that of others. Using a dyadic drumming paradigm, the authors delineate lifespan differences in interpersonal action synchronization (IAS). Younger children, older children, younger adults, and older adults in same- and mixed-age dyads were instructed to drum in synchrony with their interaction partner at a constant, self-chosen tempo. Adult-only dyads showed the highest and children-only the lowest levels of IAS accuracy. It is important to note that children improved reliably in IAS accuracy when paired with older partners. The observed age-related differences in IAS accuracy remained reliable after statistically controlling for individual differences in the ability to synchronize to a metronome and for between-dyad differences in tempo. The authors conclude that IAS improves from middle childhood to adulthood and that adult interaction partners may facilitate its development. (PsycINFO Database Record (c) 2011 APA, all rights reserved)     

Numerical Investigation of Engineering Systems: Analysis of Accuracy Reduction Due to Model Oversimplification

When faced with the mathematical modeling of any engineering system, whether for design, performance assessment, optimization, or control, the engineer has to determine the level of accuracy versus the simplicity of the mathematical formulation. Although it is universally accepted that the more complex the formulation, the more accurate the results will be, these usually come at the expense of larger CPU times, a substantial amount of computer resources, and are generally limited by the capacity of computers and computing power, which most times precludes their use in favor of simpler models. Many times, however, engineers do not realize the potential risk that oversimplification of a problem generates in terms of accuracy of the results; that is, the model solution does not resemble the system behavior. Through a demonstrative example, the present study addresses the issue of oversimplification of the resulting mathematical model and the corresponding accuracy of its solution. After constructing three sets of models of the physical system, each with a different level of detail, the solutions are then compared to experimental data. The results show that the accuracy of the numerical approximation depends directly on the level of complexity of the mathematical model used, and that oversimplification may result in up to a ninefold degradation of the results. In addition, minor changes in the inlet boundary condition and geometry result in significant changes in the flow pattern, up to a fivefold difference between different models in the recirculation bubble relative error. This information is fundamental for engineering professionals to consider during the modeling process in applications.     

Vertical dynamics of the Maglev vehicle Transrapid

The Maglev vehicle Transrapid is levitated by magnetic forces which pull the vehicles levitation frames toward the guideway from below. The magnets possess poles with alternating fluxes which are part of the synchronous long stator linear motor. Although the Transrapid glides along its guideway without mechanical contact, this alternation as well as the loading and unloading of the guideway girders excite vibrations of the ground. In order to calculate the time behavior of the vibrational emissions, a simulation of the transfer of a Transrapid vehicle over several guideway girders is proposed. The equations of motion for the vehicle and the girders are calculated separately by the MBS software NEWEUL and assembled and numerically integrated in MATLAB/SIMULINK. The control law for the magnet forces is simplified by the characteristics of linear spring-damper elements. The controlled magnet forces travel along the guideway continuously and include the dynamic component due to the alternating fluxes and the geometry of the poles and stator. Results of a complete vehicle moving along a guideway consisting of several girders can be obtained within a few minutes of computation time. Therefore, the mechanism of excitations can be analyzed by numerical time integration in the full state space. The results are validated by measurements of the forces in the joints of the guideway girders. The vibrational emission along the Transrapid guideway differs from the vibrations of contact-afflicted vehicles as no impacts and fewer stochastic effects occur.     

A FE/BE coupling for the 3D time-dependent eddy current problem. Part I: a priori error estimates

In this paper the discontinuous Galerkin method in time for the coupling of conforming finite element and boundary element methods is established. We derive quasi-optimal a priori error estimates. Numerical examples prove the new scheme to be useful in practice. A posteriori error control and an adaptive algorithm are studied in Part II of this paper.