Pseudoreceptor model for ryanodine derivatives at calcium release channels

This paper describes the generation of a pseudoreceptor model for ryanodine receptor (RyR) modulating ryanoids in rabbit skeletal muscle. For this purpose, the molecular modelling software PrGen was applied to correlate experimentally determined and calculated free energies of binding for a set of 15 ryanodine derivatives. The final model indicates a narrow cleft with hydrogen bond donor and acceptor capacities (represented by an Asn) as most crucial for binding the pyrrole carboxylate substituent at C3 of ryanodine. In addition, hydrophobic residues flank the aromatic pyrrole ring (Tyr, Phe, and Ile). Two of those residues (Tyr and Ile) interact with the 2-isopropyl moiety, which seems to contribute to binding. Opposite to the pyrrole locus, a second hydrophobic region (represented by a Leu) restricts ryanodine derivatives in their longitudinal axis and leads to the discrimination of equatorial and axial positioned methyl groups and of polar substituents at C9. Finally, a charged glutamate residue generates strong hydrogen bonding and electrostatic interactions with the hydroxyl groups at C10 and C15. For this binding-site model – composed of six amino acid residues – a correlation for the training set ligands of R = 0.99 (Q² = 0.975) and a root mean square (rms) deviation of 0.568 kcal/mol for the prediction of the binding energies of four test set ligands was obtained. Based on this pseudoreceptor model the putative topology of the real binding site of ryanoids will be discussed.     

一种研究自旋翻转散射效应的新方法

金属中自旋翻转散射长度远长于电子平均自由程，近来关于自旋翻转散射效应的研究主要集中于扩散区域．文章作者提出了一种使用双势垒磁性隧道结来研究纳米尺度结构中弹道区域的自旋翻转散射效应的新方法．这种方法可以从磁电输运性质的测量，得出中间隔离层中的自旋翻转散射效应的温度和偏压关系，进一步可以得出诸如电子平均自由程和自旋翻转散射长度等自旋散射信息，以及中间层的态密度和量子阱信息．     

Structural characterizations of Co2MnSi/MgO/Co2MnSi magnetic tunnel junctions by transmission electron microscopy

We have investigated the structure of Co₂MnSi/MgO/Co₂MnSi magnetic tunneling junctions with different tunnel magnetoresistance values depending on the in situ annealing temperatures just after the deposition of the upper Co₂MnSi electrodes. The nano-beam diffraction patterns indicated that the degree of order of the upper Co₂MnSi electrode annealed at 550 °C was higher than that of an electrode annealed at 400 °C. Moreover, the degree of the L2₁ order of the upper Co₂MnSi electrode annealed at 550 °C was even lower than that of the lower Co₂MnSi electrode annealed at an almost equal temperature of 600 °C. Atomic-scale observation using a high-angle annular dark-field (HAADF) method distinctly showed the existence of the L2₁-ordered regions in the B2-ordered matrix in the upper Co₂MnSi electrode annealed at 400 °C.     

超导体/正常金属/半导体/正常金属/超导体结的研究

在约瑟夫逊效应的理论研究中,大体上有微观和宏观两种方法。采用的是宏观的方法。利用推广的Ja-cobson方法,讨论了超导体/正常金属/半导体/正常金属/超导体结的约瑟夫逊效应,并在小电流假设下,推导出了该结的电流密度与位相之间的关系。     

Numerical simulations of droplet formation in a cross‐junction microchannel by the lattice Boltzmann method

An immiscible liquid–liquid multiphase flow in a cross‐junction microchannel was numerically studied using the lattice Boltzmann method. An improved, immiscible lattice BGK model was proposed by introducing surface tension force based on the continuum surface force (CSF) method. Recoloring step was replaced by the anti‐diffusion scheme in the mixed region to reduce the side‐effect and control the thickness of the interface. The present method was tested by the simulation of a static bubble. Laplace's law and spurious velocities were examined. The results show that our model is more advantageous for simulations of immiscible fluids than the existing immiscible lattice BGK models. Computational results of multiphase flow in a cross‐junction microchannel were obtained and analyzed based on dimensionless numbers. It is found that the flow pattern is decided mostly by the capillary number at a small inlet flux. However, at the same capillary number, a large inlet flux will lead to much smaller droplet generation. For this case, the flow is determined by both the capillary number and the Weber number. Copyright © 2007 John Wiley & Sons, Ltd.     

Short-Time Decoherence of Solid-State Qubit at Optimal Operation Points

We investigate the short-time decoherence of a solid-state qubit under Ohmic noise at optimal operation points. The decoherence is analyzed by maximum norm of the deviation density operator. It is shown that at the temperature T = 3 mK, the loss of the fidelity due to decoherence is much smaller than the DiVincenzo low decoherence criterion, which means that the mode/may be an optimal candidate of qubit for quantum computation.     

Single-Molecule Force Spectroscopy of DNA-Based Reversible Polymer Bridges: Surface Robustness and Homogeneity

Single-molecule force spectroscopy, as implemented in an atomic force microscope, provides a rarely used method by which to monitor dynamic processes that occur near surfaces. Here, a methodology is presented and characterized that facilitates the study of polymer bridging across nanometer-sized gaps. The model system employed is that of DNA-based reversible polymers, and an automated procedure is introduced that allows the AFM tip–surface contact point to be automatically determined, and the distance d between opposing surfaces to be actively controlled. Using this methodology, the importance of several experimental parameters was systematically studied, e.g. the frequency of repeated tip/surface contacts, the area of the substrate surface sampled by the AFM, and the use of multiple AFM tips and substrates. Experiments revealed the surfaces to be robust throughout pulling experiments, so that multiple touches and pulls could be carried out on a single spot with no measurable affect on the results. Differences in observed bridging probabilities were observed, both on different spots on the same surface and, more dramatically, from one day to another. Data normalization via a reference measurement allows data from multiple days to be directly compared.     

Ionic liquid salt bridge based on tributyl(2-methoxyethyl)phosphonium bis(pentafluoroethanesulfonyl)amide for stable liquid junction potentials in highly diluted aqueous electrolyte solutions

A moderately hydrophobic ionic liquid, tributyl(2-methoxyethyl)phosphonium bis(pentafluoroethanesulfonyl)amide ([TBMOEP⁺][C₂C₂N⁻]), shows a very stable liquid junction potential upon contact with an aqueous solution whose ionic strength is as low as 1 μmol dm⁻³. The stability with the maximum excursion of the potential within ±0.5 mV for 30 min is very promising for accurate determination of pH and other single ion activities potentiometrically.