The conduction pathway of potassium channels is water free under physiological conditions.

Ion conduction through potassium channels is a fundamental process of life. On the basis of crystallographic data, it was originally proposed that potassium ions and water molecules are transported through the selectivity filter in an alternating arrangement, suggesting a "water-mediated" knock-on mechanism. Later on, this view was challenged by results from molecular dynamics simulations that revealed a "direct" knock-on mechanism where ions are in direct contact. Using solid-state nuclear magnetic resonance techniques tailored to characterize the interaction between water molecules and the ion channel, we show here that the selectivity filter of a potassium channel is free of water under physiological conditions. Our results are fully consistent with the direct knock-on mechanism of ion conduction but contradict the previously proposed water-mediated knock-on mechanism

Development and application of the modelling system J2000-S for the EU-water framework directive

The scientific sound definition of measures to achieve the goals of the EU water framework directive (WFD) acquires spatially distributed analyses of the water and substance dynamics in meso- to macro-scale catchments. For this purpose, modelling tools or systems are needed which are robust and fast enough to be applied on such scales, but which are also able to simulate the impact of changes on single fields or small areas of a specific land use in the catchment. <br><br> To face these challenges, we combined the fully-distributed hydrological model J2000 with the nitrogen transport routines of the Soil Water Assessment Tool SWAT model, which are normally applied in a semi-distributive approach. With this combination, we could extend the quantitative focus of J2000 with qualitative processes and could overcome the semi-distributed limitation of SWAT. For the implementation and combination of the components, we used the Jena Adaptable Modelling System JAMS (Kralisch and Krause, 2006) which helped tremendously in the relatively rapid and easy development of the new resultant model J2000-S (J2000-Substance). <br><br> The modelling system was applied in the upper Gera watershed, located in Thuringia, Germany. The catchment has an area of 844 km<sup>2</sup> and includes three of the typical landscape forms of Thuringia. The application showed, that the new modelling system was able to reproduce the daily hydrological as well as the nitrogen dynamics with a sufficient quality. The paper will describe the results of the new model and compare them with the results obtained with the original semi-distributed application of SWAT

Perfect alignment and preferential orientation of nitrogen-vacancy centers during CVD growth of diamond on (111) surfaces

Synthetic diamond production is key to the development of quantum metrology and quantum information applications of diamond. The major quantum sensor and qubit candidate in diamond is the nitrogen-vacancy (NV) color center. This lattice defect comes in four different crystallographic orientations leading to an intrinsic inhomogeneity among NV centers that is undesirable in some applications. Here, we report a microwave plasma-assisted chemical vapor decomposition (MPCVD) diamond growth technique on (111)-oriented substrates that yields perfect alignment ($94\pm2$) of as-grown NV centers along a single crystallographic direction. In addition, clear evidence is found that the majority ($74\pm4$) of the aligned NV centers were formed by the nitrogen being first included in the (111) growth surface and then followed by the formation of a neighboring vacancy on top. The achieved homogeneity of the grown NV centers will tremendously benefit quantum information and metrology applications.Comment: 6 pages, 4 figures, changes to previous version: added acknowledgemen

Multiscale investigations in a mesoscale catchment ? hydrological modelling in the Gera catchment

International audienceThe application of the hydrological process-oriented model J2000 (J2K) is part of a cooperation project between the Thuringian Environmental Agency (Thüringer Landesanstalt für Umwelt und Geologie ? TLUG) and the Department of Geoinformatics of the Friedrich-Schiller-University Jena focussing on the implementation of the EU water framework directive (WFD). In the first project phase J2K was parametrised and calibrated for a mesoscale catchment to quantify if it can be used as hydrological part of a multi-objective tool-box needed for the implementation of the WFD. The main objectives for that pilot study were: The development and application of a suitable distribution concept which provide the spatial data basis for various tasks and which reflects the specific physiogeographical variability and heterogeneity of river basins adequately. This distribution concept should consider the following constraints: The absolute number of spatial entities, which forms the basis for any distributive modelling should be as small as possible, but the spatial distributed factors, which controls quantitative and qualitative hydrological processes should not be generalised to much. The distribution concept of hydrological response units HRUs (Flügel, 1995) was selected and enhanced by a topological routing scheme (Staudenrausch, 2001) for the simulation of lateral flow processes. J2K should be calibrated for one subbasin of the pilot watershed only. Then the parameter set should be used on the other subbasins (referred as transfer basins) to investigate and quantify the transferability of a calibrated model and potential spatial dependencies of its parameter set. In addition, potential structural problems in the process description should be identified by the transfer to basins which show a different process dominance as the one which was used for calibration does. Model calibration and selection of efficiency criteria for the quantification of the model quality should be based on a comprehensive sensitivity and uncertainty analysis (Bäse, 2005) and multi-response validations with independent data sets (Krause and Flügel, 2005) carried out in advance in the headwater part of the calibration basin. To obtain good results in the transfer basins the calibrated parameter set could be adjusted slightly. This step was considered as necessary because of specific constraints which were not of significant importance in the calibration basin. This readjustment should be carried out on parameters which show a sensitive reaction on the identified differences in the environmental setup. Potential scaling problems of the process description, distribution concept or model structure should be identified by the comparison of the modelling results obtained in a small headwater region of the calibration basin with observed streamflow to find out if the selected efficiency measures show a significant change

Effect of interchain coupling on conducting polymer luminescence: excimers in derivatives of poly(phenylene vinylene)

Optical excitation of a chain in a polymer film may result in formation of an excimer, a superposition of on-chain excitons and charge-transfer excitons on the originally excited chain and a neighboring chain. The excimer emission is red-shifted compared to that of an on-chain exciton by an amount depending on the interchain coupling $t_\perp$. Setting up the excimer wavefunction and calculating the red shift, we determine average $t_\perp$ values, referred to a monomer, of 0.52 eV and 0.16 eV for poly(2,5-hexyloxy $p$-phenylene cyanovinylene), CN-PPV, and poly[2-methoxy, 5-(2'-ethyl-hexyloxy)-1, 4 p-phenylene vinylene], MEH-PPV, respectively, and use them to determine the effect of interchain distance on the emission.Comment: 10 pages, RevTeX, 1 PS figure, replaced version of cond-mat/9707095, accepted for publication in Phys. Rev. B, Rapid Communicatio

2009 Focused Update Incorporated Into the ACC/AHA 2005 Guidelines for the Diagnosis and Management of Heart Failure in Adults A Report of the American College of Cardiology Foundation/American Heart Association Task Force on Practice Guidelines Developed in Collaboration With the International Society for Heart and Lung Transplantation

Heart failure (HF) is a major and growing public health problem in the United States. Approximately 5 million patients in this country have HF, and over 550,000 patients are diagnosed with HF for the first time each year. The disorder is the primary reason for 12 to 15 million office visits and 6.5 million hospital days each year. From 1990 to 1999, the annual number of hospitalizations has increased from approximately 810,000 to over 1 million for HF as a primary diagnosis and from 2.4 to 3.6 million for HF as a primary or secondary diagnosis. In 2001, nearly 53 000 patients died of HF as a primary cause. The number of HF deaths has increased steadily despite advances in treatment, in part because of increasing numbers of patients with HF due to better treatment and “salvage” of patients with acute myocardial infarctions (MIs) earlier in life. Heart failure is primarily a condition of the elderly, and thus the widely recognized “aging of the population” also contributes to the increasing incidence of HF. The incidence of HF approaches 10 per 1000 population after age 65, and approximately 80% of patients hospitalized with HF are more than 65 years old. Heart failure is the most common Medicare diagnosis-related group (i.e., hospital discharge diagnosis), and more Medicare dollars are spent for the diagnosis and treatment of HF than for any other diagnosis. The total estimated direct and indirect costs for HF in 2005 were approximately $27.9 billion. In the United States, approximately$2.9 billion annually is spent on drugs for the treatment of HF

Structure and photophysics of indigoids for singlet fission: Cibalackrot

We report an investigation of structure and photophysics of thin layers of cibalackrot, a sturdy dye derived from indigo by double annulation at the central double bond. Evaporated layers contain up to three phases, two crystalline and one amorphous. Relative amounts of all three have been determined by a combination of X-ray diffraction and FT-IR reflectance spectroscopy. Initially, excited singlet state rapidly produces a high yield of a transient intermediate whose spectral properties are compatible with charge-transfer nature. This intermediate more slowly converts to a significant yield of triplet, which, however, does not exceed 100% and may well be produced by intersystem crossing rather than singlet fission. The yields were determined by transient absorption spectroscopy and corrected for effects of partial sample alignment by a simple generally applicable procedure. Formation of excimers was also observed. In order to obtain guidance for improving molecular packing by a minor structural modification, calculations by a simplified frontier orbital method were used to find all local maxima of singlet fission rate as a function of geometry of a molecular pair. The method was tested at 48 maxima by comparison with the ab initio Frenkel-Davydov exciton model. Published under license by AIP Publishing