Simulations of the active transport of a neutral solute based on a kinase-channel-phosphatase topology

Simulations of coupled interactions involving two opposite enzymatic reactions, solute diffusions, and electrostatic interactions between membrane charges and charged solutes were conducted under a fixed kinase-channel-phosphatase (KCP) topology oriented from the outside to the inside of a porous membrane structure. Depending on the kinase and phosphatase locations, we recently demonstrated that an active transport of a phosphorylated substrate may occur via the opposite topology, that is, a PCK topology. The present analysis demonstrates that, under a KCP membrane topology, which also behaves as a specific ATP-dependent transporter, the active transport of a neutral substrate may occur. This analogous active transport appears to be dependent on the phosphatase location and on the membrane surface potentials. A broad analysis of the role played by the main parameters taken into account in the model was conducted in order to define precisely the physico-chemical conditions and the membrane topology needed for the highest active transports within the shortest time.     

含一般模糊弹性约束的广义模糊变量线性规划

建立并讨论了一类含有一般模糊弹性约束的广义模糊变量线性规划问题.首先,简单介绍了结构元方法并对结构元加权排序中权函数表征决策者风险态度进行了深入分析.然后选取风险中性的决策者来定义序关系,应用Verdegay模糊线性规划方法将含一般模糊弹性约束的广义模糊变量线性规划转化经典的线性规划问题,简化了原问题的求解.最后通过数值算例进一步说明了该方法的有效性.     

Size-dependent electron chemical potential: Effect on particle charging

Electrostatic charging of particles of identical composition, but different sizes, is a poorly understood phenomenon that may be of importance in dust storms, generation of lightning, numerous technological applications involving solid particulates, and in the agglomeration of lunar dust and inter-stellar dust clouds. We show that under optical excitation, the relative magnitude of surface to volume de-excitation gives size-dependent electron and hole concentrations. The consequent differences in chemical potentials can lead to charge transfer between particles of different size. The direction of charge transfer, from large to small or vice versa, depends critically on the properties of the materials.     

The Occurrence of Pesticides in Groundwater—Results of Case-studies

Abstract

A comparative review of pesticide survey endosing 16 waterworks in the FRG tries to increase the understanding about interferences of pesticide utilization and pesticide occurrence in ground- and drinkingwater, which includes characterization of sampling points, subsurface situation, land use and pesticide application. Between 1986 and 1991, 5772 samples were measured and led to 219094 data about the occurrence of various pesticides. 5% of these analyses showed pesticide or metabolite concentrations above the particular detection limits. This result does not vary in large extent considering groups of different characterized sampling points like groundwater dominated or surface water sampling points. As the herbicide atrazine and its metabolite desethylatrazine as well as the herbicide simazine were detected most often in all samples independent whether considering groundwater und surface water samples, this fact confirms the FRG-application ban for atrazine as well as the application restriction for simazine.     

基于灰色聚类分析的风险评价方法研究——以江苏民间资本进入金融领域风险评价为例

运用灰色系统理论,结合AHP方法,建立灰色聚类分析模型,对风险进行评价,并以江苏民间资本进入金融领域风险评价为例进行研究.结果表明,民间资本进入金融领域的风险属于高风险范畴,其中进入风险中的产业风险和社会风险属于高风险,信用风险属于较高风险,政治风险属于中等风险.并针对上述风险的等级,提出了相应的政策建议.模型具有一定的实用价值,它对于正确认识民间资本进入金融领域的风险和有针对性地制定相应的政策措施具有一定的理论和现实意义.     

The research on temperature measurement based on polarization dependent loss

This paper analyzes the properties of reflected polarization dependent loss of apodized fiber Bragg gratings with temperature effective. We simulates reflected spectrum and polarization dependent loss of the apodized fiber Bragg gratings. The reflected spectrum and polarization dependent loss are measured under different temperatures. The analysis results show that reflected polarization dependent loss presents two peaks which shift an equal proportion to long wavelength with temperature increasing and have very good stability so we propose an idea that use polarization dependent loss as temperature sensor measurement parameters. The results show that the accuracy of measurement can be increased almost by one order of magnitude.     

Dynamic models of segregation†

Some segregation results from the practices of organizations, some from specialized communication systems, some from correlation with a variable that is non‐random; and some results from the interplay of individual choices. This is an abstract study of the interactive dynamics of discriminatory individual choices. One model is a simulation in which individual members of two recognizable groups distribute themselves in neighborhoods defined by reference to their own locations. A second model is analytic and deals with compartmented space. A final section applies the analytics to ‘neighborhood tipping.’ The systemic effects are found to be overwhelming: there is no simple correspondence of individual incentive to collective results. Exaggerated separation and patterning result from the dynamics of movement. Inferences about individual motives can usually not be drawn from aggregate patterns. Some unexpected phenomena, like density and vacancy, are generated. A general theory of ‘tipping’ begins to emerge.     

Intensity‐based estimation of extreme loss event probability and value at risk

We develop a methodology for the estimation of extreme loss event probability and the value at risk, which takes into account both the magnitudes and the intensity of the extreme losses. Specifically, the extreme loss magnitudes are modeled with a generalized Pareto distribution, whereas their intensity is captured by an autoregressive conditional duration model, a type of self‐exciting point process. This allows for an explicit interaction between the magnitude of the past losses and the intensity of future extreme losses. The intensity is further used in the estimation of extreme loss event probability. The method is illustrated and backtested on 10 assets and compared with the established and baseline methods. The results show that our method outperforms the baseline methods, competes with an established method, and provides additional insight and interpretation into the prediction of extreme loss event probability. Copyright © 2012 John Wiley & Sons, Ltd.     

Size‐dependent mechanical properties of glassy polymer nanofibers via molecular dynamics simulations

The microstructure of polymer matrix under cylindrical confinement is key to understanding the size‐dependent thermomechanical behavior of electrospun nanofibers. Coarse‐grained molecular dynamics simulation was applied here to probe polymer systems under cylindrical confinement, prepared with or without pre‐stretching. Simulation results showed that below a certain radius, a noticeable increase of the elastic modulus is observed with the decrease of the radius of cylindrical confinement. This size‐dependent mechanical behavior correlated to the degree of polymer chain orientation. Modulation of density and bond orientation in the radial direction was observed: the density and bond orientation began to oscillate, increasing the oscillation amplitudes with decreases in the radius. Such behavior suggests that the cylindrical confinement enhances the bond alignment of the entire fiber and not in the near‐surface layers only. The unstretched fibers had uniform density distribution along the fiber axis, while the stretched fibers demonstrated a fluctuation in density distribution. The crossover radius of size‐dependent behavior was two orders of magnitude smaller than observed in real experiments, demonstrating that the confinement affects some internal fiber scale, which exceeds the scale of individual macromolecules, and this internal scale may be related to supramolecular structures of the polymer matrix rather than the individual macromolecules. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2017 , 55, 506–514     

Weber Correspondence Analysis: The One-Dimensional Case

When designing programs or software for the implementation of Monte Carlo (MC) hypothesis tests, we can save computation time by using sequential stopping boundaries. Such boundaries imply stopping resampling after relatively few replications if the early replications indicate a very large or a very small p value. We study a truncated sequential probability ratio test (SPRT) boundary and provide a tractable algorithm to implement it. We review two properties desired of any MC p value, the validity of the p value and a small resampling risk, where resampling risk is the probability that the accept/reject decision will be different than the decision from complete enumeration. We show how the algorithm can be used to calculate a valid p value and confidence intervals for any truncated SPRT boundary. We show that a class of SPRT boundaries is minimax with respect to resampling risk and recommend a truncated version of boundaries in that class by comparing their resampling risk (RR) to the RR of fixed boundaries with the same maximum resample size. We study the lack of validity of some simple estimators of p values and offer a new, simple valid p value for the recommended truncated SPRT boundary. We explore the use of these methods in a practical example and provide the MChtest R package to perform the methods.