Structural Changes of Water Molecules Upon the Reduction of Quinones in The Reaction Center from Rhodobactery Sphaeroides

1 Results The photosynthetic bacterial reaction center (RC) is a membrane protein complex.The RC is composed of three protein subunits and redox components such as bacteriochlorophylls, bacteriopheophytins,and quinones.The RC performs the photochemical electron transfer from the bacteriochlorophyll dimer through a series of electron donor and acceptor molecules to a secondary quinone,QB.QB accepts electrons from a primary quinone,QA,in two sequential electron transfer reactions.The second electron trans...     

Global Optimization in Any Minkowski Metric: A Permutation-Translation Simulated Annealing Algorithm for Multidimensional Scaling

It is well known that considering a non-Euclidean Minkowski metric in Multidimensional Scaling, either for the distance model or for the loss function, increases the computational problem of local minima considerably. In this paper, we propose an algorithm in which both the loss function and the composition rule can be considered in any Minkowski metric, using a multivariate randomly alternating Simulated Annealing procedure with permutation and translation phases. The algorithm has been implemented in Fortran and tested over classical and simulated data matrices with sizes up to 200 objects. A study has been carried out with some of the common loss functions to determine the most suitable values for the main parameters. The experimental results confirm the theoretical expectation that Simulated Annealing is a suitable strategy to deal by itself with the optimization problems in Multidimensional Scaling, in particular for City-Block, Euclidean and Infinity metrics.     

A non-commutative time-frequency tomography

The characterization of non-stationary signal requires joint time and frequency information. However, time and frequency are a pair of non-commuting variables that cannot constitute a joint probability density in the time-frequency plane. The time-frequency distributions have difficult interpretation problems arising from negative and complex values or spurious components. In this paper, we get time-frequency information from the marginal distributions in rotated directions in the time-frequency plane. The rigorous probability interpretation of the marginal distributions is without any ambiguities. This time-frequency transformation is similar to the computerized axial tomography (CT or CAT) and is applied to signal analysis and signal detection and reveals a lot of advantages especially in the signal detection of the low signal/noise (S/N).     

Forecasting volatility by means of threshold models

The aim of this paper is to compare the forecasting performance of competing threshold models, in order to capture the asymmetric effect in the volatility. We focus on examining the relative out‐of‐sample forecasting ability of the SETAR‐Threshold GARCH (SETAR‐TGARCH) and the SETAR‐Threshold Stochastic Volatility (SETAR‐THSV) models compared to the GARCH model and Stochastic Volatility (SV) model. However, the main problem in evaluating the predictive ability of volatility models is that the ‘true’ underlying volatility process is not observable and thus a proxy must be defined for the unobservable volatility. For the class of nonlinear state space models (SETAR‐THSV and SV), a modified version of the SIR algorithm has been used to estimate the unknown parameters. The forecasting performance of competing models has been compared for two return time series: IBEX 35 and S&P 500. We explore whether the increase in the complexity of the model implies that its forecasting ability improves. Copyright © 2007 John Wiley & Sons, Ltd.     

Conflict Pattern Analysis: Preparing the Ground for Participation in Policy Implementation

The participation of non-state actors in implementation processes is often understood as a means to increase compliance efficiency. But the implementation of spatial policies frequently focuses on pre-established goals, processes and instruments and thus renders difficult open discourse and shared decision-making. This paper introduces conflict pattern analysis (CPA) as a tool that supports the analysis of the actual actor constellation in order to define efficient approaches that avoid common problems of participatory processes. CPA is a semi-formalised method that helps to identify key-actors, their relations and interaction amongst each other as well as their core beliefs, interests and resources. It aggregates this information to interaction patterns that can be compared, classified and linked to different participatory methods on a theoretically informed basis. Particularly on the local and regional level, this could be the first step for successful (participatory) implementation strategies.     

ROLE OF α-PSEUDO-UNIVEX FUNCTIONS IN VECTOR VARIATIONAL-LIKE INEQUALITY PROBLEMS

In this paper, we introduce a new class of generalized convex function, namely, a-pseudounivex function, by combining the concepts of pseudo-univex and α-invex functions. Further, we establish some relationships between vector variational-like inequality problems and vector optimization problems under the assumptions of α-pseudo-univex functions. Results obtained in this paper present a refinement and improvement of previously known results.     

A theoretical model for mid-and low-latitude ionospheric electric fields in realistic geomagnetic fields

The geomagnetic fields, which play important roles in the ionospheric dynamo, can greatly affect the global distribution of ionospheric electric fields, currents and other ionospheric electrodynamics phenomena. In the study of ionospheric electrodynamics phenomena, such as the longitudinal variations of ionospheric electric fields, the non-dipolar component of the geomagnetic fields must be taken into account. In this paper, we deduce a theoretical electric field model for ionospheric dynamo at mid- and low-latitude which adopt a modified magnetic apex coordinates system. In the new electric field model, the geomagnetic fields can be calculated from either the IGRF model or the dipole field model, and the neutral winds and conductivities are calculated based on empirical models. Then the dynamo equation for the electric potential is finally solved in terms of the line-by-line iteration method, and the ionospheric electric fields and currents are derived from the calculated potential. Our model can reproduce the main features of the ionospheric electrodynamics processes, so it will be a useful tool for the investigation of the upper atmosphere and ionosphere.