Arylene bisimides with triarylamine N-substituents as new solution processable organic semiconductors: Synthesis,spectroscopic, electrochemical and electronic properties

New solution processable organic semiconductors, consisting of pyrromelitic, naphthalene or perylene bisimide core and triarylamine N-substituents, have been synthesized. All three compounds are electrochemically active and undergo quasi-reversible oxidation and reduction as evidenced by cyclic voltammetry investigations. The oxidation process involves the transformation of the triarylamine substituents into radical cations as proven spectroscopically and spectroelectrochemically. The reduction process occurs at the arylene bisimide core leading to the formation of a radical anion and eventually a dianion in the second step. These findings are in perfect agreement with the DFT calculations which show that in the synthesized molecules the HOMO orbital is located on the triarylamine moiety whereas the LUMO one on the bisimide core. In all molecules studied the electrochemically determined ionization potential (IP) is slightly higher than 5.0 eV whereas in naphthalene and perylene derivatives the electron affinity (EA) is close to ?3.9 eV. These values fulfill the requirements for n-type (electron) semiconductors in air operating n-channel field effect transistors (FETs) as well as for p-type (hole) conductors in p-channel FETs. To verify whether the newly synthesized compounds exhibit the expected electrical transport properties all organic (CYTOP dielectric) test transistors were fabricated. All three semiconductors showed no field effect in the n-channel configuration. To the contrary, they could be used in p-channel FETs showing, in the saturation regime, the hole mobility approaching 10^?4 cm² V^?1 s^?1 – the value which slightly exceeds that measured for low molecular weight, amorphous triarylamine semiconductors.     

A Deep Dive into VDAC1 Conformational Diversity Using All-Atom Simulations Provides New Insights into the Structural Origin of the Closed States

The voltage-dependent anion channel 1 (VDAC1) is a crucial mitochondrial transporter that controls the flow of ions and respiratory metabolites entering or exiting mitochondria. As a voltage-gated channel, VDAC1 can switch between a high-conducting “open” state and a low-conducting “closed” state emerging at high transmembrane (TM) potentials. Although cell homeostasis depends on channel gating to regulate the transport of ions and metabolites, structural hallmarks characterizing the closed states remain unknown. Here, we performed microsecond accelerated molecular dynamics to highlight a vast region of VDAC1 conformational landscape accessible at typical voltages known to promote closure. Conformers exhibiting durable subconducting properties inherent to closed states were identified. In all cases, the low conductance was due to the particular positioning of an unfolded part of the N-terminus, which obstructed the channel pore. While the N-terminal tail was found to be sensitive to voltage orientation, our models suggest that stable low-conducting states of VDAC1 predominantly take place from disordered events and do not result from the displacement of a voltage sensor or a significant change in the pore. In addition, our results were consistent with conductance jumps observed experimentally and corroborated a recent study describing entropy as a key factor for VDAC gating.     

Three‐dimensional numerical simulations of smooth,asymmetrically roughened,and baffled culverts for upstream passage of small‐bodied fish

Traditional box culvert designs lead to development of high velocity zones in the culvert barrel that often impede upstream migration of fish. Herein, three‐dimensional Reynolds‐averaged Navier‐Stokes (RANS)‐ and Large eddy simulation (LES)‐based computational fluid dynamics (CFDs) simulations were performed to compare the effectiveness of smooth, asymmetrically roughened, and corner‐baffled barrels, in creating low‐velocity zones (LVZs) and providing opportunity for upstream passage of small‐bodied fish. The results revealed distinctive benefits provided by the asymmetrically roughened and corner‐baffled barrels relative to the smooth barrel. Cross‐sectional asymmetry, corners, and obstructions are important factors that contribute to the generation of LVZs conducive to fish passage, albeit contiguity of LVZs is required, particularly for weak swimmers. The study demonstrates the adequacy and effectiveness of CFD models to complement traditional laboratory studies in understanding basic mechanisms beneficial to fish passage and to provide insights into future designs.     

Bernoulli Theorem, Minimum Specific Energy, and Water Wave Celerity in Open-Channel Flow

One basic principle of fluid mechanics used to resolve practical problems in hydraulic engineering is the Bernoulli theorem along a streamline, deduced from the work-energy form of the Euler equation along a streamline. Some confusion exists about the applicability of the Bernoulli theorem and its generalization to open-channel hydraulics. In the present work, a detailed analysis of the Bernoulli theorem and its extension to flow in open channels are developed. The generalized depth-averaged Bernoulli theorem is proposed and it has been proved that the depth-averaged specific energy reaches a minimum in converging accelerating free surface flow over weirs and flumes. Further, in general, a channel control with minimum specific energy in curvilinear flow is not isolated from water waves, as customary state in open-channel hydraulics.     

Kompetenzzentrum Wasserkraft

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Kompetenzzentrum Wasserkraft     

Gestion de réseau: État de la normalisation

The need for multi-media communication is currently rapidly increasing. This leads to a sharp increase in the number of public and private networks, and they must inter-operate in spite of their being heterogeneous. Mastering those networks is a complex but crucial task. This can only be achieved via good management. Thus, users have been impulsing a heavy thrust in the field of network management and especially its standardization. This paper focusses on the current status of network management standards in the main international bodies, highlighting the main points. It also describes some of France Telecom’s experiments concerning the implementation of the standards.     

Confirmation of the human-pathogenic microsporidia Enterocytozoon bieneusi, Encephalitozoon intestinalis, and Vittaforma corneae in water

Microsporidia, as a group, cause a wide range of infections, though two species of microsporidia in particular, Enterocytozoon bieneusi and Encephalitozoon intestinalis, are associated with gastrointestinal disease in humans. To date, the mode of transmission and environmental occurrence of microsporidia have not been elucidated due to lack of sensitive and specific screening methods. The present study was undertaken with recently developed methods to screen several significant water sources. Water concentrates were subjected to community DNA extraction followed by microsporidium-specific PCR amplification, PCR sequencing, and database homology comparison. A total of 14 water concentrates were screened; 7 of these contained human-pathogenic microsporidia. The presence of Encephalitozoon intestinalis was confirmed in tertiary sewage effluent, surface water, and groundwater; the presence of Enterocytozoon bieneusi was confirmed in surface water; and the presence of Vittaforma corneae was confirmed in tertiary effluent. Thus, this study represents the first confirmation, to the species level, of human-pathogenic microsporidia in water, indicating that these human-pathogenic microsporidia may be waterborne pathogens.